Sample Name	Protocol REF	Parameter Value[Post Extraction]	Parameter Value[Derivatization]	Extract Name	Protocol REF	Parameter Value[Chromatography Instrument]	Term Source REF	Term Accession Number	Parameter Value[Autosampler model]	Term Source REF	Term Accession Number	Parameter Value[Column model]	Parameter Value[Column type]	Labeled Extract Name	Label	Term Source REF	Term Accession Number	Protocol REF	Parameter Value[Scan polarity]	Parameter Value[Scan m/z range]	Parameter Value[Instrument]	Term Source REF	Term Accession Number	Parameter Value[Ion source]	Term Source REF	Term Accession Number	Parameter Value[Mass analyzer]	Term Source REF	Term Accession Number	MS Assay Name	Raw Spectral Data File	Protocol REF	Normalization Name	Derived Spectral Data File	Protocol REF	Data Transformation Name	Metabolite Assignment File
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120822_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120822_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120822_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120822_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120822_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120822_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120822_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120822_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120822_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120822_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120822_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120822_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120822_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120822_NP+ve_117.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0024_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0024_2	FILES/20120822_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0025_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0025_2	FILES/20120822_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0030_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0030_2	FILES/20120822_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0032_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0032_2	FILES/20120822_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0037_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0037_2	FILES/20120822_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0039_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0039_2	FILES/20120822_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0067_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0067_2	FILES/20120822_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0070_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0070_2	FILES/20120822_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0085_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0085_2	FILES/20120822_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0095_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0095_2	FILES/20120822_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0103_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0103_2	FILES/20120822_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0105_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0105_2	FILES/20120822_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0158_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0158_2	FILES/20120822_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0164_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0164_2	FILES/20120822_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0207_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0207_2	FILES/20120822_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0211_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0211_2	FILES/20120822_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0212_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0212_2	FILES/20120822_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0214_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0214_2	FILES/20120822_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0221_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0221_2	FILES/20120822_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0227_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0227_2	FILES/20120822_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0231_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0231_2	FILES/20120822_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0243_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0243_2	FILES/20120822_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0249_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0249_2	FILES/20120822_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0253_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0253_2	FILES/20120822_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0259_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0259_2	FILES/20120822_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0262_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0262_2	FILES/20120822_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0276_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0276_2	FILES/20120822_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0285_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0285_2	FILES/20120822_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0288_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0288_2	FILES/20120822_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0300_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0300_2	FILES/20120822_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0341_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0341_2	FILES/20120822_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0363_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0363_2	FILES/20120822_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0377_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0377_2	FILES/20120822_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0396_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0396_2	FILES/20120822_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0404_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0404_2	FILES/20120822_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0411_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0411_2	FILES/20120822_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0438_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0438_2	FILES/20120822_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0456_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0456_2	FILES/20120822_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0458_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0458_2	FILES/20120822_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0466_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0466_2	FILES/20120822_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0467_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0467_2	FILES/20120822_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0487_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0487_2	FILES/20120822_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0491_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0491_2	FILES/20120822_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0501_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0501_2	FILES/20120822_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0502_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0502_2	FILES/20120822_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0506_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0506_2	FILES/20120822_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0508_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0508_2	FILES/20120822_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0510_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0510_2	FILES/20120822_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0521_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0521_2	FILES/20120822_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0522_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0522_2	FILES/20120822_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0543_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0543_2	FILES/20120822_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0549_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0549_2	FILES/20120822_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0579_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0579_2	FILES/20120822_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0583_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0583_2	FILES/20120822_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0600_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0600_2	FILES/20120822_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0603_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0603_2	FILES/20120822_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0619_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0619_2	FILES/20120822_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0627_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0627_2	FILES/20120822_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0672_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0672_2	FILES/20120822_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0673_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0673_2	FILES/20120822_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0675_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0675_2	FILES/20120822_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0688_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0688_2	FILES/20120822_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0694_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0694_2	FILES/20120822_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0698_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0698_2	FILES/20120822_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0704_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0704_2	FILES/20120822_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0745_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0745_2	FILES/20120822_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0746_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0746_2	FILES/20120822_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0748_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0748_2	FILES/20120822_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0765_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0765_2	FILES/20120822_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0767_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0767_2	FILES/20120822_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0778_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0778_2	FILES/20120822_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0790_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0790_2	FILES/20120822_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0843_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0843_2	FILES/20120822_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0850_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0850_2	FILES/20120822_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0855_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0855_2	FILES/20120822_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0920_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0920_2	FILES/20120822_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0934_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0934_2	FILES/20120822_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0943_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0943_2	FILES/20120822_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0960_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0960_2	FILES/20120822_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0982_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0982_2	FILES/20120822_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1001_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1001_2	FILES/20120822_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1068_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1068_2	FILES/20120822_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1074_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1074_2	FILES/20120822_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1084_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1084_2	FILES/20120822_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1085_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1085_2	FILES/20120822_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1102_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1102_2	FILES/20120822_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1139_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1139_2	FILES/20120822_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1148_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1148_2	FILES/20120822_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1172_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1172_2	FILES/20120822_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1174_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1174_2	FILES/20120822_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1176_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1176_2	FILES/20120822_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1191_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1191_2	FILES/20120822_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1216_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1216_2	FILES/20120822_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1240_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1240_2	FILES/20120822_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1247_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1247_2	FILES/20120822_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1256_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1256_2	FILES/20120822_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1274_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1274_2	FILES/20120822_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1298_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1298_2	FILES/20120822_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1341_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1341_2	FILES/20120822_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1343_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1343_2	FILES/20120822_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1351_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1351_2	FILES/20120822_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1353_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1353_2	FILES/20120822_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1376_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1376_2	FILES/20120822_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120826_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120826_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120826_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120826_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120826_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120826_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120826_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120826_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120826_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120826_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120826_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120826_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120826_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120826_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0003_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0003_2	FILES/20120826_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0010_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0010_2	FILES/20120826_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0017_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0017_2	FILES/20120826_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0022_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0022_2	FILES/20120826_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0029_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0029_2	FILES/20120826_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0031_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0031_2	FILES/20120826_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0036_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0036_2	FILES/20120826_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0043_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0043_2	FILES/20120826_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0077_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0077_2	FILES/20120826_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0081_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0081_2	FILES/20120826_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0083_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0083_2	FILES/20120826_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0084_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0084_2	FILES/20120826_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0096_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0096_2	FILES/20120826_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0116_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0116_2	FILES/20120826_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0131_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0131_2	FILES/20120826_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0133_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0133_2	FILES/20120826_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0136_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0136_2	FILES/20120826_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0147_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0147_2	FILES/20120826_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0150_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0150_2	FILES/20120826_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0177_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0177_2	FILES/20120826_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0190_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0190_2	FILES/20120826_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0191_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0191_2	FILES/20120826_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0203_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0203_2	FILES/20120826_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0205_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0205_2	FILES/20120826_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0208_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0208_2	FILES/20120826_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0220_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0220_2	FILES/20120826_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0228_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0228_2	FILES/20120826_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0235_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0235_2	FILES/20120826_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0246_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0246_2	FILES/20120826_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0263_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0263_2	FILES/20120826_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0271_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0271_2	FILES/20120826_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0272_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0272_2	FILES/20120826_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0279_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0279_2	FILES/20120826_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0284_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0284_2	FILES/20120826_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0299_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0299_2	FILES/20120826_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0313_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0313_2	FILES/20120826_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0317_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0317_2	FILES/20120826_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0340_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0340_2	FILES/20120826_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0346_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0346_2	FILES/20120826_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0349_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0349_2	FILES/20120826_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0350_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0350_2	FILES/20120826_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0351_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0351_2	FILES/20120826_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0372_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0372_2	FILES/20120826_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0374_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0374_2	FILES/20120826_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0389_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0389_2	FILES/20120826_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0403_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0403_2	FILES/20120826_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0423_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0423_2	FILES/20120826_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0459_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0459_2	FILES/20120826_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0471_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0471_2	FILES/20120826_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0499_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0499_2	FILES/20120826_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0500_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0500_2	FILES/20120826_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0503_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0503_2	FILES/20120826_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0505_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0505_2	FILES/20120826_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0514_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0514_2	FILES/20120826_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0517_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0517_2	FILES/20120826_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0526_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0526_2	FILES/20120826_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0557_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0557_2	FILES/20120826_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0558_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0558_2	FILES/20120826_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0604_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0604_2	FILES/20120826_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0611_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0611_2	FILES/20120826_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0636_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0636_2	FILES/20120826_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0649_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0649_2	FILES/20120826_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0651_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0651_2	FILES/20120826_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0678_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0678_2	FILES/20120826_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0695_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0695_2	FILES/20120826_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0697_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0697_2	FILES/20120826_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0703_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0703_2	FILES/20120826_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0710_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0710_2	FILES/20120826_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0732_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0732_2	FILES/20120826_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0735_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0735_2	FILES/20120826_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0774_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0774_2	FILES/20120826_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0804_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0804_2	FILES/20120826_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0837_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0837_2	FILES/20120826_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0859_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0859_2	FILES/20120826_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0868_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0868_2	FILES/20120826_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0891_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0891_2	FILES/20120826_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0911_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0911_2	FILES/20120826_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0913_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0913_2	FILES/20120826_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0914_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0914_2	FILES/20120826_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0928_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0928_2	FILES/20120826_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0969_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0969_2	FILES/20120826_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0983_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0983_2	FILES/20120826_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1007_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1007_2	FILES/20120826_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1018_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1018_2	FILES/20120826_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1038_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1038_2	FILES/20120826_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1065_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1065_2	FILES/20120826_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1069_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1069_2	FILES/20120826_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1086_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1086_2	FILES/20120826_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1143_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1143_2	FILES/20120826_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1173_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1173_2	FILES/20120826_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1175_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1175_2	FILES/20120826_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1200_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1200_2	FILES/20120826_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1210_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1210_2	FILES/20120826_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1229_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1229_2	FILES/20120826_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1235_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1235_2	FILES/20120826_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1262_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1262_2	FILES/20120826_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1268_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1268_2	FILES/20120826_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1293_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1293_2	FILES/20120826_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1296_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1296_2	FILES/20120826_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1333_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1333_2	FILES/20120826_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1338_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1338_2	FILES/20120826_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1367_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1367_2	FILES/20120826_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120830_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120830_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120830_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120830_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120830_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120830_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120830_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120830_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120830_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120830_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120830_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120830_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120830_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120830_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0007_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0007_2	FILES/20120830_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0009_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0009_2	FILES/20120830_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0019_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0019_2	FILES/20120830_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0042_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0042_2	FILES/20120830_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0064_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0064_2	FILES/20120830_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0071_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0071_2	FILES/20120830_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0088_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0088_2	FILES/20120830_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0108_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0108_2	FILES/20120830_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0112_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0112_2	FILES/20120830_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0122_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0122_2	FILES/20120830_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0134_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0134_2	FILES/20120830_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0135_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0135_2	FILES/20120830_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0141_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0141_2	FILES/20120830_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0151_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0151_2	FILES/20120830_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0185_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0185_2	FILES/20120830_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0216_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0216_2	FILES/20120830_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0219_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0219_2	FILES/20120830_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0251_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0251_2	FILES/20120830_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0257_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0257_2	FILES/20120830_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0261_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0261_2	FILES/20120830_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0268_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0268_2	FILES/20120830_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0274_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0274_2	FILES/20120830_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0275_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0275_2	FILES/20120830_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0277_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0277_2	FILES/20120830_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0278_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0278_2	FILES/20120830_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0295_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0295_2	FILES/20120830_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0307_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0307_2	FILES/20120830_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0314_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0314_2	FILES/20120830_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0315_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0315_2	FILES/20120830_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0322_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0322_2	FILES/20120830_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0325_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0325_2	FILES/20120830_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0330_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0330_2	FILES/20120830_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0334_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0334_2	FILES/20120830_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0337_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0337_2	FILES/20120830_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0343_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0343_2	FILES/20120830_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0352_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0352_2	FILES/20120830_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0384_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0384_2	FILES/20120830_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0385_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0385_2	FILES/20120830_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0386_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0386_2	FILES/20120830_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0406_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0406_2	FILES/20120830_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0412_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0412_2	FILES/20120830_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0414_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0414_2	FILES/20120830_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0420_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0420_2	FILES/20120830_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0442_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0442_2	FILES/20120830_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0444_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0444_2	FILES/20120830_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0445_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0445_2	FILES/20120830_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0474_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0474_2	FILES/20120830_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0476_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0476_2	FILES/20120830_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0488_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0488_2	FILES/20120830_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0504_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0504_2	FILES/20120830_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0507_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0507_2	FILES/20120830_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0525_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0525_2	FILES/20120830_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0535_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0535_2	FILES/20120830_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0556_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0556_2	FILES/20120830_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0582_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0582_2	FILES/20120830_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0587_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0587_2	FILES/20120830_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0593_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0593_2	FILES/20120830_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0599_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0599_2	FILES/20120830_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0601_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0601_2	FILES/20120830_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0633_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0633_2	FILES/20120830_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0643_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0643_2	FILES/20120830_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0644_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0644_2	FILES/20120830_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0646_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0646_2	FILES/20120830_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0647_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0647_2	FILES/20120830_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0671_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0671_2	FILES/20120830_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0701_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0701_2	FILES/20120830_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0738_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0738_2	FILES/20120830_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0764_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0764_2	FILES/20120830_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0795_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0795_2	FILES/20120830_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0833_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0833_2	FILES/20120830_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0848_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0848_2	FILES/20120830_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0852_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0852_2	FILES/20120830_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0861_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0861_2	FILES/20120830_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0880_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0880_2	FILES/20120830_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0898_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0898_2	FILES/20120830_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0907_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0907_2	FILES/20120830_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0909_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0909_2	FILES/20120830_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0919_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0919_2	FILES/20120830_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0944_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0944_2	FILES/20120830_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0962_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0962_2	FILES/20120830_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0966_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0966_2	FILES/20120830_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0970_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0970_2	FILES/20120830_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0972_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0972_2	FILES/20120830_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0977_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0977_2	FILES/20120830_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0978_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0978_2	FILES/20120830_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0979_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0979_2	FILES/20120830_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1041_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1041_2	FILES/20120830_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1075_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1075_2	FILES/20120830_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1171_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1171_2	FILES/20120830_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1181_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1181_2	FILES/20120830_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1182_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1182_2	FILES/20120830_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1206_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1206_2	FILES/20120830_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1212_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1212_2	FILES/20120830_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1232_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1232_2	FILES/20120830_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1257_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1257_2	FILES/20120830_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1283_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1283_2	FILES/20120830_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1287_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1287_2	FILES/20120830_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1300_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1300_2	FILES/20120830_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1309_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1309_2	FILES/20120830_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1330_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1330_2	FILES/20120830_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1332_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1332_2	FILES/20120830_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1344_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1344_2	FILES/20120830_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120904_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120904_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120904_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120904_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120904_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120904_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120904_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120904_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120904_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120904_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120904_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120904_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120904_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120904_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0001_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0001_2	FILES/20120904_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0026_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0026_2	FILES/20120904_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0038_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0038_2	FILES/20120904_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0050_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0050_2	FILES/20120904_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0056_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0056_2	FILES/20120904_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0073_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0073_2	FILES/20120904_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0075_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0075_2	FILES/20120904_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0091_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0091_2	FILES/20120904_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0101_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0101_2	FILES/20120904_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0107_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0107_2	FILES/20120904_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0110_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0110_2	FILES/20120904_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0115_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0115_2	FILES/20120904_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0138_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0138_2	FILES/20120904_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0144_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0144_2	FILES/20120904_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0156_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0156_2	FILES/20120904_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0157_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0157_2	FILES/20120904_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0166_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0166_2	FILES/20120904_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0189_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0189_2	FILES/20120904_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0206_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0206_2	FILES/20120904_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0209_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0209_2	FILES/20120904_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0250_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0250_2	FILES/20120904_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0256_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0256_2	FILES/20120904_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0264_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0264_2	FILES/20120904_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0266_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0266_2	FILES/20120904_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0269_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0269_2	FILES/20120904_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0290_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0290_2	FILES/20120904_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0292_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0292_2	FILES/20120904_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0293_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0293_2	FILES/20120904_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0294_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0294_2	FILES/20120904_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0301_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0301_2	FILES/20120904_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0324_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0324_2	FILES/20120904_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0331_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0331_2	FILES/20120904_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0335_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0335_2	FILES/20120904_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0336_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0336_2	FILES/20120904_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0357_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0357_2	FILES/20120904_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0359_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0359_2	FILES/20120904_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0369_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0369_2	FILES/20120904_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0373_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0373_2	FILES/20120904_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0375_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0375_2	FILES/20120904_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0381_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0381_2	FILES/20120904_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0383_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0383_2	FILES/20120904_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0392_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0392_2	FILES/20120904_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0397_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0397_2	FILES/20120904_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0413_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0413_2	FILES/20120904_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0417_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0417_2	FILES/20120904_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0419_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0419_2	FILES/20120904_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0430_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0430_2	FILES/20120904_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0446_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0446_2	FILES/20120904_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0462_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0462_2	FILES/20120904_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0464_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0464_2	FILES/20120904_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0472_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0472_2	FILES/20120904_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0481_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0481_2	FILES/20120904_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0495_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0495_2	FILES/20120904_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0533_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0533_2	FILES/20120904_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0553_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0553_2	FILES/20120904_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0559_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0559_2	FILES/20120904_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0561_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0561_2	FILES/20120904_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0570_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0570_2	FILES/20120904_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0574_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0574_2	FILES/20120904_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0596_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0596_2	FILES/20120904_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0606_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0606_2	FILES/20120904_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0641_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0641_2	FILES/20120904_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0648_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0648_2	FILES/20120904_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0666_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0666_2	FILES/20120904_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0668_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0668_2	FILES/20120904_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0676_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0676_2	FILES/20120904_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0689_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0689_2	FILES/20120904_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0692_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0692_2	FILES/20120904_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0762_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0762_2	FILES/20120904_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0785_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0785_2	FILES/20120904_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0786_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0786_2	FILES/20120904_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0800_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0800_2	FILES/20120904_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0803_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0803_2	FILES/20120904_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0808_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0808_2	FILES/20120904_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0821_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0821_2	FILES/20120904_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0830_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0830_2	FILES/20120904_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0847_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0847_2	FILES/20120904_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0849_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0849_2	FILES/20120904_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0888_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0888_2	FILES/20120904_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0900_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0900_2	FILES/20120904_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0916_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0916_2	FILES/20120904_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0949_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0949_2	FILES/20120904_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0974_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0974_2	FILES/20120904_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0989_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0989_2	FILES/20120904_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1008_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1008_2	FILES/20120904_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1010_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1010_2	FILES/20120904_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1103_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1103_2	FILES/20120904_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1119_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1119_2	FILES/20120904_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1132_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1132_2	FILES/20120904_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1140_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1140_2	FILES/20120904_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1156_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1156_2	FILES/20120904_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1177_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1177_2	FILES/20120904_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1193_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1193_2	FILES/20120904_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1196_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1196_2	FILES/20120904_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1197_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1197_2	FILES/20120904_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1224_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1224_2	FILES/20120904_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1228_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1228_2	FILES/20120904_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1261_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1261_2	FILES/20120904_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1272_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1272_2	FILES/20120904_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1349_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1349_2	FILES/20120904_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1361_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1361_2	FILES/20120904_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120910_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120910_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120910_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120910_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120910_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120910_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120910_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120910_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120910_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120910_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120910_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120910_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120910_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120910_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0005_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0005_2	FILES/20120910_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0012_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0012_2	FILES/20120910_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0013_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0013_2	FILES/20120910_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0015_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0015_2	FILES/20120910_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0016_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0016_2	FILES/20120910_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0020_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0020_2	FILES/20120910_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0023_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0023_2	FILES/20120910_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0035_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0035_2	FILES/20120910_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0041_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0041_2	FILES/20120910_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0074_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0074_2	FILES/20120910_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0089_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0089_2	FILES/20120910_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0092_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0092_2	FILES/20120910_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0100_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0100_2	FILES/20120910_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0104_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0104_2	FILES/20120910_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0113_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0113_2	FILES/20120910_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0118_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0118_2	FILES/20120910_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0139_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0139_2	FILES/20120910_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0143_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0143_2	FILES/20120910_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0145_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0145_2	FILES/20120910_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0146_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0146_2	FILES/20120910_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0148_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0148_2	FILES/20120910_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0155_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0155_2	FILES/20120910_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0159_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0159_2	FILES/20120910_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0165_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0165_2	FILES/20120910_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0178_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0178_2	FILES/20120910_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0197_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0197_2	FILES/20120910_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0198_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0198_2	FILES/20120910_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0224_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0224_2	FILES/20120910_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0230_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0230_2	FILES/20120910_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0234_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0234_2	FILES/20120910_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0239_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0239_2	FILES/20120910_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0297_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0297_2	FILES/20120910_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0298_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0298_2	FILES/20120910_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0308_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0308_2	FILES/20120910_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0312_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0312_2	FILES/20120910_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0332_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0332_2	FILES/20120910_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0333_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0333_2	FILES/20120910_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0344_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0344_2	FILES/20120910_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0356_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0356_2	FILES/20120910_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0358_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0358_2	FILES/20120910_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0400_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0400_2	FILES/20120910_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0402_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0402_2	FILES/20120910_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0421_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0421_2	FILES/20120910_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0431_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0431_2	FILES/20120910_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0433_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0433_2	FILES/20120910_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0448_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0448_2	FILES/20120910_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0478_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0478_2	FILES/20120910_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0482_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0482_2	FILES/20120910_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0483_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0483_2	FILES/20120910_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0493_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0493_2	FILES/20120910_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0498_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0498_2	FILES/20120910_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0548_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0548_2	FILES/20120910_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0551_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0551_2	FILES/20120910_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0564_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0564_2	FILES/20120910_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0571_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0571_2	FILES/20120910_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0573_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0573_2	FILES/20120910_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0577_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0577_2	FILES/20120910_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0589_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0589_2	FILES/20120910_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0590_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0590_2	FILES/20120910_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0598_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0598_2	FILES/20120910_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0602_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0602_2	FILES/20120910_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0665_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0665_2	FILES/20120910_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0667_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0667_2	FILES/20120910_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0674_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0674_2	FILES/20120910_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0706_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0706_2	FILES/20120910_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0713_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0713_2	FILES/20120910_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0717_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0717_2	FILES/20120910_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0719_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0719_2	FILES/20120910_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0733_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0733_2	FILES/20120910_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0747_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0747_2	FILES/20120910_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0749_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0749_2	FILES/20120910_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0761_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0761_2	FILES/20120910_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0828_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0828_2	FILES/20120910_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0832_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0832_2	FILES/20120910_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0844_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0844_2	FILES/20120910_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0865_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0865_2	FILES/20120910_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0912_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0912_2	FILES/20120910_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0917_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0917_2	FILES/20120910_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0935_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0935_2	FILES/20120910_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0937_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0937_2	FILES/20120910_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0940_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0940_2	FILES/20120910_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0946_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0946_2	FILES/20120910_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0964_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0964_2	FILES/20120910_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0971_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0971_2	FILES/20120910_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0980_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0980_2	FILES/20120910_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1062_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1062_2	FILES/20120910_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1109_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1109_2	FILES/20120910_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1141_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1141_2	FILES/20120910_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1142_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1142_2	FILES/20120910_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1168_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1168_2	FILES/20120910_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1183_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1183_2	FILES/20120910_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1198_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1198_2	FILES/20120910_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1220_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1220_2	FILES/20120910_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1226_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1226_2	FILES/20120910_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1249_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1249_2	FILES/20120910_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1251_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1251_2	FILES/20120910_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1279_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1279_2	FILES/20120910_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1280_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1280_2	FILES/20120910_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1288_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1288_2	FILES/20120910_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1327_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1327_2	FILES/20120910_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1370_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1370_2	FILES/20120910_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1375_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1375_2	FILES/20120910_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120915_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120915_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120915_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120915_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120915_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120915_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120915_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120915_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120915_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120915_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120915_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120915_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120915_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120915_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0006_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0006_2	FILES/20120915_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0011_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0011_2	FILES/20120915_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0027_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0027_2	FILES/20120915_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0034_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0034_2	FILES/20120915_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0072_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0072_2	FILES/20120915_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0087_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0087_2	FILES/20120915_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0090_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0090_2	FILES/20120915_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0094_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0094_2	FILES/20120915_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0098_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0098_2	FILES/20120915_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0106_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0106_2	FILES/20120915_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0109_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0109_2	FILES/20120915_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0111_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0111_2	FILES/20120915_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0121_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0121_2	FILES/20120915_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0123_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0123_2	FILES/20120915_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0129_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0129_2	FILES/20120915_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0137_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0137_2	FILES/20120915_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0162_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0162_2	FILES/20120915_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0169_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0169_2	FILES/20120915_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0183_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0183_2	FILES/20120915_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0204_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0204_2	FILES/20120915_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0226_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0226_2	FILES/20120915_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0280_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0280_2	FILES/20120915_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0281_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0281_2	FILES/20120915_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0282_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0282_2	FILES/20120915_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0286_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0286_2	FILES/20120915_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0345_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0345_2	FILES/20120915_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0353_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0353_2	FILES/20120915_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0361_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0361_2	FILES/20120915_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0380_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0380_2	FILES/20120915_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0401_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0401_2	FILES/20120915_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0408_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0408_2	FILES/20120915_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0409_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0409_2	FILES/20120915_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0415_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0415_2	FILES/20120915_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0418_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0418_2	FILES/20120915_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0424_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0424_2	FILES/20120915_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0428_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0428_2	FILES/20120915_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0429_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0429_2	FILES/20120915_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0435_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0435_2	FILES/20120915_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0450_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0450_2	FILES/20120915_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0455_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0455_2	FILES/20120915_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0460_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0460_2	FILES/20120915_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0463_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0463_2	FILES/20120915_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0468_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0468_2	FILES/20120915_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0473_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0473_2	FILES/20120915_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0480_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0480_2	FILES/20120915_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0484_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0484_2	FILES/20120915_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0486_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0486_2	FILES/20120915_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0497_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0497_2	FILES/20120915_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0545_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0545_2	FILES/20120915_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0554_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0554_2	FILES/20120915_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0555_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0555_2	FILES/20120915_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0560_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0560_2	FILES/20120915_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0563_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0563_2	FILES/20120915_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0565_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0565_2	FILES/20120915_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0576_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0576_2	FILES/20120915_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0581_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0581_2	FILES/20120915_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0585_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0585_2	FILES/20120915_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0610_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0610_2	FILES/20120915_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0617_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0617_2	FILES/20120915_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0618_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0618_2	FILES/20120915_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0714_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0714_2	FILES/20120915_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0718_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0718_2	FILES/20120915_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0724_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0724_2	FILES/20120915_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0739_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0739_2	FILES/20120915_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0752_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0752_2	FILES/20120915_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0756_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0756_2	FILES/20120915_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0766_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0766_2	FILES/20120915_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0775_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0775_2	FILES/20120915_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0787_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0787_2	FILES/20120915_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0796_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0796_2	FILES/20120915_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0819_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0819_2	FILES/20120915_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0854_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0854_2	FILES/20120915_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0867_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0867_2	FILES/20120915_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0879_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0879_2	FILES/20120915_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0881_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0881_2	FILES/20120915_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0895_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0895_2	FILES/20120915_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0915_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0915_2	FILES/20120915_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0924_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0924_2	FILES/20120915_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0959_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0959_2	FILES/20120915_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0965_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0965_2	FILES/20120915_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0986_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0986_2	FILES/20120915_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0990_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0990_2	FILES/20120915_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0994_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0994_2	FILES/20120915_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1017_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1017_2	FILES/20120915_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1025_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1025_2	FILES/20120915_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1036_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1036_2	FILES/20120915_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1060_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1060_2	FILES/20120915_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1077_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1077_2	FILES/20120915_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1080_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1080_2	FILES/20120915_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1083_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1083_2	FILES/20120915_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1087_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1087_2	FILES/20120915_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1100_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1100_2	FILES/20120915_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1129_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1129_2	FILES/20120915_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1147_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1147_2	FILES/20120915_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1184_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1184_2	FILES/20120915_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1192_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1192_2	FILES/20120915_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1211_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1211_2	FILES/20120915_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1231_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1231_2	FILES/20120915_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1265_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1265_2	FILES/20120915_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1275_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1275_2	FILES/20120915_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1294_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1294_2	FILES/20120915_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1369_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1369_2	FILES/20120915_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120921_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120921_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120921_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120921_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120921_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120921_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120921_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120921_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120921_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120921_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120921_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120921_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120921_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120921_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0002_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0002_2	FILES/20120921_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0008_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0008_2	FILES/20120921_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0014_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0014_2	FILES/20120921_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0021_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0021_2	FILES/20120921_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0040_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0040_2	FILES/20120921_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0049_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0049_2	FILES/20120921_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0078_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0078_2	FILES/20120921_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0086_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0086_2	FILES/20120921_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0097_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0097_2	FILES/20120921_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0127_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0127_2	FILES/20120921_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0140_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0140_2	FILES/20120921_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0149_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0149_2	FILES/20120921_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0154_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0154_2	FILES/20120921_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0163_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0163_2	FILES/20120921_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0168_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0168_2	FILES/20120921_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0173_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0173_2	FILES/20120921_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0193_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0193_2	FILES/20120921_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0218_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0218_2	FILES/20120921_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0233_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0233_2	FILES/20120921_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0247_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0247_2	FILES/20120921_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0248_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0248_2	FILES/20120921_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0296_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0296_2	FILES/20120921_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0306_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0306_2	FILES/20120921_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0309_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0309_2	FILES/20120921_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0316_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0316_2	FILES/20120921_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0318_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0318_2	FILES/20120921_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0319_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0319_2	FILES/20120921_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0323_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0323_2	FILES/20120921_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0329_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0329_2	FILES/20120921_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0338_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0338_2	FILES/20120921_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0339_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0339_2	FILES/20120921_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0362_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0362_2	FILES/20120921_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0365_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0365_2	FILES/20120921_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0367_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0367_2	FILES/20120921_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0390_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0390_2	FILES/20120921_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0393_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0393_2	FILES/20120921_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0398_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0398_2	FILES/20120921_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0399_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0399_2	FILES/20120921_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0405_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0405_2	FILES/20120921_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0410_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0410_2	FILES/20120921_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0416_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0416_2	FILES/20120921_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0422_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0422_2	FILES/20120921_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0425_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0425_2	FILES/20120921_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0470_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0470_2	FILES/20120921_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0477_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0477_2	FILES/20120921_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0485_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0485_2	FILES/20120921_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0494_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0494_2	FILES/20120921_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0496_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0496_2	FILES/20120921_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0511_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0511_2	FILES/20120921_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0512_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0512_2	FILES/20120921_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0520_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0520_2	FILES/20120921_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0523_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0523_2	FILES/20120921_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0544_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0544_2	FILES/20120921_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0572_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0572_2	FILES/20120921_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0575_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0575_2	FILES/20120921_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0613_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0613_2	FILES/20120921_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0622_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0622_2	FILES/20120921_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0628_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0628_2	FILES/20120921_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0630_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0630_2	FILES/20120921_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0639_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0639_2	FILES/20120921_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0640_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0640_2	FILES/20120921_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0657_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0657_2	FILES/20120921_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0669_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0669_2	FILES/20120921_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0693_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0693_2	FILES/20120921_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0731_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0731_2	FILES/20120921_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0743_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0743_2	FILES/20120921_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0753_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0753_2	FILES/20120921_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0757_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0757_2	FILES/20120921_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0768_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0768_2	FILES/20120921_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0841_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0841_2	FILES/20120921_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0845_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0845_2	FILES/20120921_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0853_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0853_2	FILES/20120921_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0857_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0857_2	FILES/20120921_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0866_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0866_2	FILES/20120921_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0886_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0886_2	FILES/20120921_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0889_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0889_2	FILES/20120921_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0902_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0902_2	FILES/20120921_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0910_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0910_2	FILES/20120921_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0938_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0938_2	FILES/20120921_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0945_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0945_2	FILES/20120921_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1047_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1047_2	FILES/20120921_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1073_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1073_2	FILES/20120921_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1108_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1108_2	FILES/20120921_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1115_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1115_2	FILES/20120921_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1135_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1135_2	FILES/20120921_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1146_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1146_2	FILES/20120921_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1179_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1179_2	FILES/20120921_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1194_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1194_2	FILES/20120921_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1222_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1222_2	FILES/20120921_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1259_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1259_2	FILES/20120921_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1263_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1263_2	FILES/20120921_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1273_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1273_2	FILES/20120921_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1282_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1282_2	FILES/20120921_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1286_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1286_2	FILES/20120921_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1311_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1311_2	FILES/20120921_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1312_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1312_2	FILES/20120921_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1339_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1339_2	FILES/20120921_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1340_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1340_2	FILES/20120921_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1345_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1345_2	FILES/20120921_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1348_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1348_2	FILES/20120921_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1372_2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1372_2	FILES/20120921_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120925_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20120925_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120925_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120925_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120925_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120925_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120925_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20120925_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120925_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120925_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120925_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120925_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120925_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20120925_NP+ve_117.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0026_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0026_3	FILES/20120925_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0032_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0032_3	FILES/20120925_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0034_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0034_3	FILES/20120925_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0067_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0067_3	FILES/20120925_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0084_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0084_3	FILES/20120925_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0091_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0091_3	FILES/20120925_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0100_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0100_3	FILES/20120925_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0116_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0116_3	FILES/20120925_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0118_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0118_3	FILES/20120925_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0144_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0144_3	FILES/20120925_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0149_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0149_3	FILES/20120925_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0154_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0154_3	FILES/20120925_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0155_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0155_3	FILES/20120925_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0164_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0164_3	FILES/20120925_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0169_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0169_3	FILES/20120925_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0205_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0205_3	FILES/20120925_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0207_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0207_3	FILES/20120925_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0239_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0239_3	FILES/20120925_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0282_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0282_3	FILES/20120925_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0290_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0290_3	FILES/20120925_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0296_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0296_3	FILES/20120925_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0316_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0316_3	FILES/20120925_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0324_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0324_3	FILES/20120925_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0340_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0340_3	FILES/20120925_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0346_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0346_3	FILES/20120925_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0350_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0350_3	FILES/20120925_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0365_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0365_3	FILES/20120925_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0367_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0367_3	FILES/20120925_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0373_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0373_3	FILES/20120925_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0380_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0380_3	FILES/20120925_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0386_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0386_3	FILES/20120925_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0392_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0392_3	FILES/20120925_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0393_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0393_3	FILES/20120925_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0398_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0398_3	FILES/20120925_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0401_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0401_3	FILES/20120925_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0405_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0405_3	FILES/20120925_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0409_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0409_3	FILES/20120925_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0422_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0422_3	FILES/20120925_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0423_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0423_3	FILES/20120925_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0424_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0424_3	FILES/20120925_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0435_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0435_3	FILES/20120925_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0446_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0446_3	FILES/20120925_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0460_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0460_3	FILES/20120925_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0470_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0470_3	FILES/20120925_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0476_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0476_3	FILES/20120925_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0484_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0484_3	FILES/20120925_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0494_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0494_3	FILES/20120925_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0503_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0503_3	FILES/20120925_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0511_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0511_3	FILES/20120925_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0523_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0523_3	FILES/20120925_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0556_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0556_3	FILES/20120925_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0571_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0571_3	FILES/20120925_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0574_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0574_3	FILES/20120925_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0579_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0579_3	FILES/20120925_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0606_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0606_3	FILES/20120925_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0618_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0618_3	FILES/20120925_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0619_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0619_3	FILES/20120925_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0622_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0622_3	FILES/20120925_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0627_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0627_3	FILES/20120925_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0633_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0633_3	FILES/20120925_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0640_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0640_3	FILES/20120925_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0666_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0666_3	FILES/20120925_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0668_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0668_3	FILES/20120925_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0674_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0674_3	FILES/20120925_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0695_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0695_3	FILES/20120925_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0704_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0704_3	FILES/20120925_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0710_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0710_3	FILES/20120925_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0718_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0718_3	FILES/20120925_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0765_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0765_3	FILES/20120925_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0787_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0787_3	FILES/20120925_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0796_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0796_3	FILES/20120925_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0803_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0803_3	FILES/20120925_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0808_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0808_3	FILES/20120925_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0819_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0819_3	FILES/20120925_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0833_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0833_3	FILES/20120925_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0844_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0844_3	FILES/20120925_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0861_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0861_3	FILES/20120925_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0867_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0867_3	FILES/20120925_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0891_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0891_3	FILES/20120925_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0934_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0934_3	FILES/20120925_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1001_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1001_3	FILES/20120925_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1041_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1041_3	FILES/20120925_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1047_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1047_3	FILES/20120925_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1074_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1074_3	FILES/20120925_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1075_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1075_3	FILES/20120925_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1103_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1103_3	FILES/20120925_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1141_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1141_3	FILES/20120925_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1142_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1142_3	FILES/20120925_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1175_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1175_3	FILES/20120925_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1181_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1181_3	FILES/20120925_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1198_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1198_3	FILES/20120925_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1220_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1220_3	FILES/20120925_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1231_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1231_3	FILES/20120925_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1232_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1232_3	FILES/20120925_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1235_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1235_3	FILES/20120925_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1262_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1262_3	FILES/20120925_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1263_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1263_3	FILES/20120925_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1309_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1309_3	FILES/20120925_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1311_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1311_3	FILES/20120925_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1330_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1330_3	FILES/20120925_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1345_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1345_3	FILES/20120925_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1349_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1349_3	FILES/20120925_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1376_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1376_3	FILES/20120925_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121001_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121001_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121001_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121001_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121001_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121001_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121001_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121001_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121001_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121001_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121001_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121001_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121001_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121001_NP+ve_117.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0001_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0001_3	FILES/20121001_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0002_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0002_3	FILES/20121001_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0010_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0010_3	FILES/20121001_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0011_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0011_3	FILES/20121001_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0022_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0022_3	FILES/20121001_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0038_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0038_3	FILES/20121001_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0039_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0039_3	FILES/20121001_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0041_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0041_3	FILES/20121001_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0049_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0049_3	FILES/20121001_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0074_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0074_3	FILES/20121001_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0075_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0075_3	FILES/20121001_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0077_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0077_3	FILES/20121001_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0083_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0083_3	FILES/20121001_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0086_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0086_3	FILES/20121001_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0088_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0088_3	FILES/20121001_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0097_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0097_3	FILES/20121001_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0112_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0112_3	FILES/20121001_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0129_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0129_3	FILES/20121001_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0138_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0138_3	FILES/20121001_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0145_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0145_3	FILES/20121001_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0151_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0151_3	FILES/20121001_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0157_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0157_3	FILES/20121001_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0158_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0158_3	FILES/20121001_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0159_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0159_3	FILES/20121001_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0163_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0163_3	FILES/20121001_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0165_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0165_3	FILES/20121001_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0173_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0173_3	FILES/20121001_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0177_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0177_3	FILES/20121001_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0185_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0185_3	FILES/20121001_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0211_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0211_3	FILES/20121001_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0218_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0218_3	FILES/20121001_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0219_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0219_3	FILES/20121001_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0261_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0261_3	FILES/20121001_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0269_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0269_3	FILES/20121001_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0271_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0271_3	FILES/20121001_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0275_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0275_3	FILES/20121001_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0278_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0278_3	FILES/20121001_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0285_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0285_3	FILES/20121001_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0294_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0294_3	FILES/20121001_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0299_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0299_3	FILES/20121001_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0300_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0300_3	FILES/20121001_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0315_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0315_3	FILES/20121001_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0332_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0332_3	FILES/20121001_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0334_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0334_3	FILES/20121001_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0338_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0338_3	FILES/20121001_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0341_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0341_3	FILES/20121001_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0356_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0356_3	FILES/20121001_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0375_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0375_3	FILES/20121001_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0377_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0377_3	FILES/20121001_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0390_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0390_3	FILES/20121001_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0412_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0412_3	FILES/20121001_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0413_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0413_3	FILES/20121001_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0416_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0416_3	FILES/20121001_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0428_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0428_3	FILES/20121001_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0433_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0433_3	FILES/20121001_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0445_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0445_3	FILES/20121001_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0462_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0462_3	FILES/20121001_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0474_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0474_3	FILES/20121001_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0477_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0477_3	FILES/20121001_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0483_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0483_3	FILES/20121001_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0487_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0487_3	FILES/20121001_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0504_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0504_3	FILES/20121001_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0510_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0510_3	FILES/20121001_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0517_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0517_3	FILES/20121001_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0543_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0543_3	FILES/20121001_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0544_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0544_3	FILES/20121001_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0554_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0554_3	FILES/20121001_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0555_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0555_3	FILES/20121001_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0636_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0636_3	FILES/20121001_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0641_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0641_3	FILES/20121001_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0644_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0644_3	FILES/20121001_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0648_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0648_3	FILES/20121001_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0665_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0665_3	FILES/20121001_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0749_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0749_3	FILES/20121001_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0756_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0756_3	FILES/20121001_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0761_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0761_3	FILES/20121001_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0790_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0790_3	FILES/20121001_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0832_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0832_3	FILES/20121001_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0902_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0902_3	FILES/20121001_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0917_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0917_3	FILES/20121001_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0972_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0972_3	FILES/20121001_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0974_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0974_3	FILES/20121001_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1065_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1065_3	FILES/20121001_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1068_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1068_3	FILES/20121001_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1069_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1069_3	FILES/20121001_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1108_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1108_3	FILES/20121001_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1119_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1119_3	FILES/20121001_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1129_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1129_3	FILES/20121001_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1147_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1147_3	FILES/20121001_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1176_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1176_3	FILES/20121001_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1183_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1183_3	FILES/20121001_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1193_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1193_3	FILES/20121001_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1197_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1197_3	FILES/20121001_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1200_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1200_3	FILES/20121001_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1211_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1211_3	FILES/20121001_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1212_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1212_3	FILES/20121001_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1272_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1272_3	FILES/20121001_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1273_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1273_3	FILES/20121001_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1288_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1288_3	FILES/20121001_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1293_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1293_3	FILES/20121001_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1338_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1338_3	FILES/20121001_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1343_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1343_3	FILES/20121001_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1372_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1372_3	FILES/20121001_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121012_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121012_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121012_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121012_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121012_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121012_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121012_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121012_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121012_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121012_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121012_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121012_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121012_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121012_NP+ve_117.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0003_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0003_3	FILES/20121012_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0016_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0016_3	FILES/20121012_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0017_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0017_3	FILES/20121012_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0019_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0019_3	FILES/20121012_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0021_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0021_3	FILES/20121012_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0023_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0023_3	FILES/20121012_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0025_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0025_3	FILES/20121012_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0029_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0029_3	FILES/20121012_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0042_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0042_3	FILES/20121012_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0043_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0043_3	FILES/20121012_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0065_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0065_3	FILES/20121012_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0070_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0070_3	FILES/20121012_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0081_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0081_3	FILES/20121012_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0106_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0106_3	FILES/20121012_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0113_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0113_3	FILES/20121012_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0115_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0115_3	FILES/20121012_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0135_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0135_3	FILES/20121012_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0137_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0137_3	FILES/20121012_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0162_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0162_3	FILES/20121012_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0166_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0166_3	FILES/20121012_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0189_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0189_3	FILES/20121012_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0214_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0214_3	FILES/20121012_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0216_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0216_3	FILES/20121012_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0234_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0234_3	FILES/20121012_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0246_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0246_3	FILES/20121012_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0250_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0250_3	FILES/20121012_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0264_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0264_3	FILES/20121012_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0277_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0277_3	FILES/20121012_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0288_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0288_3	FILES/20121012_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0295_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0295_3	FILES/20121012_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0306_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0306_3	FILES/20121012_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0313_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0313_3	FILES/20121012_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0314_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0314_3	FILES/20121012_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0322_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0322_3	FILES/20121012_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0330_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0330_3	FILES/20121012_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0353_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0353_3	FILES/20121012_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0358_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0358_3	FILES/20121012_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0397_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0397_3	FILES/20121012_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0403_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0403_3	FILES/20121012_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0419_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0419_3	FILES/20121012_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0444_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0444_3	FILES/20121012_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0448_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0448_3	FILES/20121012_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0455_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0455_3	FILES/20121012_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0463_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0463_3	FILES/20121012_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0467_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0467_3	FILES/20121012_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0473_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0473_3	FILES/20121012_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0481_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0481_3	FILES/20121012_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0486_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0486_3	FILES/20121012_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0493_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0493_3	FILES/20121012_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0497_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0497_3	FILES/20121012_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0521_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0521_3	FILES/20121012_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0533_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0533_3	FILES/20121012_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0551_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0551_3	FILES/20121012_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0557_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0557_3	FILES/20121012_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0565_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0565_3	FILES/20121012_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0581_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0581_3	FILES/20121012_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0602_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0602_3	FILES/20121012_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0610_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0610_3	FILES/20121012_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0628_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0628_3	FILES/20121012_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0651_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0651_3	FILES/20121012_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0698_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0698_3	FILES/20121012_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0719_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0719_3	FILES/20121012_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0733_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0733_3	FILES/20121012_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0764_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0764_3	FILES/20121012_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0785_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0785_3	FILES/20121012_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0786_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0786_3	FILES/20121012_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0795_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0795_3	FILES/20121012_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0845_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0845_3	FILES/20121012_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0850_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0850_3	FILES/20121012_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0854_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0854_3	FILES/20121012_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0866_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0866_3	FILES/20121012_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0881_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0881_3	FILES/20121012_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0888_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0888_3	FILES/20121012_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0910_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0910_3	FILES/20121012_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0912_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0912_3	FILES/20121012_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0924_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0924_3	FILES/20121012_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0940_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0940_3	FILES/20121012_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0949_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0949_3	FILES/20121012_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0971_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0971_3	FILES/20121012_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0977_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0977_3	FILES/20121012_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0979_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0979_3	FILES/20121012_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0982_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0982_3	FILES/20121012_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0990_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0990_3	FILES/20121012_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1008_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1008_3	FILES/20121012_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1038_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1038_3	FILES/20121012_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1060_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1060_3	FILES/20121012_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1073_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1073_3	FILES/20121012_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1115_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1115_3	FILES/20121012_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1172_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1172_3	FILES/20121012_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1173_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1173_3	FILES/20121012_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1192_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1192_3	FILES/20121012_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1194_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1194_3	FILES/20121012_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1216_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1216_3	FILES/20121012_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1240_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1240_3	FILES/20121012_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1247_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1247_3	FILES/20121012_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1257_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1257_3	FILES/20121012_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1275_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1275_3	FILES/20121012_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1300_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1300_3	FILES/20121012_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1312_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1312_3	FILES/20121012_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1332_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1332_3	FILES/20121012_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1333_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1333_3	FILES/20121012_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1353_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1353_3	FILES/20121012_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1367_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1367_3	FILES/20121012_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121017_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121017_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121017_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121017_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121017_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121017_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121017_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121017_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121017_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121017_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121017_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121017_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121017_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121017_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0007_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0007_3	FILES/20121017_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0012_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0012_3	FILES/20121017_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0013_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0013_3	FILES/20121017_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0015_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0015_3	FILES/20121017_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0020_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0020_3	FILES/20121017_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0027_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0027_3	FILES/20121017_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0030_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0030_3	FILES/20121017_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0044_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0044_3	FILES/20121017_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0056_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0056_3	FILES/20121017_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0058_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0058_3	FILES/20121017_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0064_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0064_3	FILES/20121017_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0071_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0071_3	FILES/20121017_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0095_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0095_3	FILES/20121017_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0096_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0096_3	FILES/20121017_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0104_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0104_3	FILES/20121017_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0107_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0107_3	FILES/20121017_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0108_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0108_3	FILES/20121017_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0134_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0134_3	FILES/20121017_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0139_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0139_3	FILES/20121017_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0143_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0143_3	FILES/20121017_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0148_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0148_3	FILES/20121017_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0183_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0183_3	FILES/20121017_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0197_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0197_3	FILES/20121017_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0227_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0227_3	FILES/20121017_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0230_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0230_3	FILES/20121017_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0233_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0233_3	FILES/20121017_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0249_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0249_3	FILES/20121017_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0251_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0251_3	FILES/20121017_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0274_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0274_3	FILES/20121017_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0279_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0279_3	FILES/20121017_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0292_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0292_3	FILES/20121017_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0301_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0301_3	FILES/20121017_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0308_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0308_3	FILES/20121017_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0329_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0329_3	FILES/20121017_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0339_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0339_3	FILES/20121017_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0345_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0345_3	FILES/20121017_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0351_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0351_3	FILES/20121017_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0361_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0361_3	FILES/20121017_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0385_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0385_3	FILES/20121017_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0396_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0396_3	FILES/20121017_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0399_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0399_3	FILES/20121017_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0404_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0404_3	FILES/20121017_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0410_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0410_3	FILES/20121017_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0430_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0430_3	FILES/20121017_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0450_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0450_3	FILES/20121017_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0459_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0459_3	FILES/20121017_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0471_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0471_3	FILES/20121017_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0478_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0478_3	FILES/20121017_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0480_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0480_3	FILES/20121017_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0488_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0488_3	FILES/20121017_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0491_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0491_3	FILES/20121017_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0495_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0495_3	FILES/20121017_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0496_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0496_3	FILES/20121017_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0507_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0507_3	FILES/20121017_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0548_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0548_3	FILES/20121017_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0553_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0553_3	FILES/20121017_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0563_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0563_3	FILES/20121017_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0575_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0575_3	FILES/20121017_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0583_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0583_3	FILES/20121017_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0604_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0604_3	FILES/20121017_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0613_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0613_3	FILES/20121017_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0639_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0639_3	FILES/20121017_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0646_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0646_3	FILES/20121017_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0647_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0647_3	FILES/20121017_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0672_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0672_3	FILES/20121017_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0673_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0673_3	FILES/20121017_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0692_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0692_3	FILES/20121017_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0694_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0694_3	FILES/20121017_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0697_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0697_3	FILES/20121017_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0706_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0706_3	FILES/20121017_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0713_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0713_3	FILES/20121017_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0738_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0738_3	FILES/20121017_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0745_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0745_3	FILES/20121017_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0752_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0752_3	FILES/20121017_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0767_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0767_3	FILES/20121017_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0849_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0849_3	FILES/20121017_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0853_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0853_3	FILES/20121017_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0857_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0857_3	FILES/20121017_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0865_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0865_3	FILES/20121017_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0880_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0880_3	FILES/20121017_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0916_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0916_3	FILES/20121017_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0920_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0920_3	FILES/20121017_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0945_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0945_3	FILES/20121017_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0959_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0959_3	FILES/20121017_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0970_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0970_3	FILES/20121017_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0983_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0983_3	FILES/20121017_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1025_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1025_3	FILES/20121017_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1077_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1077_3	FILES/20121017_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1080_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1080_3	FILES/20121017_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1132_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1132_3	FILES/20121017_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1135_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1135_3	FILES/20121017_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1156_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1156_3	FILES/20121017_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1179_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1179_3	FILES/20121017_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1191_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1191_3	FILES/20121017_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1228_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1228_3	FILES/20121017_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1229_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1229_3	FILES/20121017_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1259_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1259_3	FILES/20121017_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1274_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1274_3	FILES/20121017_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1279_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1279_3	FILES/20121017_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1283_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1283_3	FILES/20121017_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1298_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1298_3	FILES/20121017_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1327_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1327_3	FILES/20121017_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121023_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121023_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121023_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121023_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121023_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121023_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121023_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121023_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121023_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121023_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121023_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121023_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121023_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121023_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0006_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0006_3	FILES/20121023_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0036_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0036_3	FILES/20121023_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0037_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0037_3	FILES/20121023_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0040_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0040_3	FILES/20121023_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0072_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0072_3	FILES/20121023_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0094_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0094_3	FILES/20121023_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0123_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0123_3	FILES/20121023_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0127_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0127_3	FILES/20121023_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0150_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0150_3	FILES/20121023_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0156_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0156_3	FILES/20121023_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0203_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0203_3	FILES/20121023_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0212_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0212_3	FILES/20121023_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0224_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0224_3	FILES/20121023_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0248_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0248_3	FILES/20121023_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0253_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0253_3	FILES/20121023_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0259_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0259_3	FILES/20121023_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0263_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0263_3	FILES/20121023_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0266_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0266_3	FILES/20121023_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0272_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0272_3	FILES/20121023_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0286_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0286_3	FILES/20121023_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0312_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0312_3	FILES/20121023_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0319_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0319_3	FILES/20121023_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0325_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0325_3	FILES/20121023_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0331_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0331_3	FILES/20121023_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0333_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0333_3	FILES/20121023_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0335_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0335_3	FILES/20121023_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0336_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0336_3	FILES/20121023_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0352_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0352_3	FILES/20121023_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0362_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0362_3	FILES/20121023_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0363_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0363_3	FILES/20121023_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0369_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0369_3	FILES/20121023_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0415_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0415_3	FILES/20121023_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0418_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0418_3	FILES/20121023_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0420_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0420_3	FILES/20121023_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0421_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0421_3	FILES/20121023_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0458_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0458_3	FILES/20121023_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0464_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0464_3	FILES/20121023_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0468_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0468_3	FILES/20121023_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0482_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0482_3	FILES/20121023_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0498_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0498_3	FILES/20121023_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0499_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0499_3	FILES/20121023_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0500_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0500_3	FILES/20121023_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0512_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0512_3	FILES/20121023_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0514_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0514_3	FILES/20121023_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0525_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0525_3	FILES/20121023_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0560_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0560_3	FILES/20121023_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0570_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0570_3	FILES/20121023_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0572_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0572_3	FILES/20121023_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0573_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0573_3	FILES/20121023_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0582_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0582_3	FILES/20121023_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0611_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0611_3	FILES/20121023_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0643_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0643_3	FILES/20121023_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0649_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0649_3	FILES/20121023_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0667_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0667_3	FILES/20121023_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0671_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0671_3	FILES/20121023_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0676_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0676_3	FILES/20121023_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0689_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0689_3	FILES/20121023_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0693_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0693_3	FILES/20121023_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0732_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0732_3	FILES/20121023_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0743_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0743_3	FILES/20121023_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0757_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0757_3	FILES/20121023_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0766_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0766_3	FILES/20121023_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0768_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0768_3	FILES/20121023_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0775_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0775_3	FILES/20121023_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0841_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0841_3	FILES/20121023_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0843_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0843_3	FILES/20121023_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0847_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0847_3	FILES/20121023_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0859_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0859_3	FILES/20121023_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0886_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0886_3	FILES/20121023_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0898_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0898_3	FILES/20121023_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0909_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0909_3	FILES/20121023_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0913_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0913_3	FILES/20121023_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0915_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0915_3	FILES/20121023_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0937_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0937_3	FILES/20121023_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0938_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0938_3	FILES/20121023_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0943_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0943_3	FILES/20121023_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0969_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0969_3	FILES/20121023_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0986_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0986_3	FILES/20121023_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1010_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1010_3	FILES/20121023_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1017_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1017_3	FILES/20121023_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1083_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1083_3	FILES/20121023_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1085_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1085_3	FILES/20121023_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1086_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1086_3	FILES/20121023_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1146_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1146_3	FILES/20121023_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1174_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1174_3	FILES/20121023_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1178_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1178_3	FILES/20121023_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1182_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1182_3	FILES/20121023_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1184_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1184_3	FILES/20121023_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1206_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1206_3	FILES/20121023_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1222_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1222_3	FILES/20121023_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1226_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1226_3	FILES/20121023_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1261_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1261_3	FILES/20121023_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1265_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1265_3	FILES/20121023_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1268_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1268_3	FILES/20121023_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1287_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1287_3	FILES/20121023_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1340_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1340_3	FILES/20121023_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1341_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1341_3	FILES/20121023_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1344_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1344_3	FILES/20121023_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1351_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1351_3	FILES/20121023_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1369_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1369_3	FILES/20121023_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1370_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1370_3	FILES/20121023_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1375_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1375_3	FILES/20121023_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121028_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121028_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121028_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121028_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121028_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121028_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121028_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121028_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121028_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121028_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121028_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121028_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121028_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0009_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0009_3	FILES/20121028_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0014_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0014_3	FILES/20121028_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0024_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0024_3	FILES/20121028_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0035_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0035_3	FILES/20121028_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0078_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0078_3	FILES/20121028_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0085_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0085_3	FILES/20121028_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0087_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0087_3	FILES/20121028_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0092_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0092_3	FILES/20121028_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0098_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0098_3	FILES/20121028_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0101_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0101_3	FILES/20121028_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0103_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0103_3	FILES/20121028_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0105_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0105_3	FILES/20121028_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0111_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0111_3	FILES/20121028_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0121_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0121_3	FILES/20121028_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0122_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0122_3	FILES/20121028_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0136_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0136_3	FILES/20121028_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0140_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0140_3	FILES/20121028_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0168_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0168_3	FILES/20121028_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0191_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0191_3	FILES/20121028_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0204_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0204_3	FILES/20121028_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0206_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0206_3	FILES/20121028_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0208_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0208_3	FILES/20121028_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0209_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0209_3	FILES/20121028_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0231_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0231_3	FILES/20121028_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0235_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0235_3	FILES/20121028_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0257_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0257_3	FILES/20121028_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0281_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0281_3	FILES/20121028_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0284_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0284_3	FILES/20121028_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0298_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0298_3	FILES/20121028_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0307_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0307_3	FILES/20121028_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0309_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0309_3	FILES/20121028_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0317_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0317_3	FILES/20121028_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0349_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0349_3	FILES/20121028_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0372_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0372_3	FILES/20121028_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0374_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0374_3	FILES/20121028_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0384_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0384_3	FILES/20121028_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0400_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0400_3	FILES/20121028_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0402_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0402_3	FILES/20121028_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0417_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0417_3	FILES/20121028_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0431_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0431_3	FILES/20121028_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0472_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0472_3	FILES/20121028_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0485_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0485_3	FILES/20121028_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0502_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0502_3	FILES/20121028_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0508_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0508_3	FILES/20121028_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0522_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0522_3	FILES/20121028_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0545_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0545_3	FILES/20121028_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0549_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0549_3	FILES/20121028_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0558_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0558_3	FILES/20121028_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0559_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0559_3	FILES/20121028_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0564_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0564_3	FILES/20121028_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0577_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0577_3	FILES/20121028_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0585_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0585_3	FILES/20121028_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0587_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0587_3	FILES/20121028_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0599_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0599_3	FILES/20121028_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0600_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0600_3	FILES/20121028_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0601_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0601_3	FILES/20121028_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0603_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0603_3	FILES/20121028_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0617_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0617_3	FILES/20121028_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0657_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0657_3	FILES/20121028_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0678_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0678_3	FILES/20121028_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0714_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0714_3	FILES/20121028_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0724_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0724_3	FILES/20121028_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0735_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0735_3	FILES/20121028_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0739_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0739_3	FILES/20121028_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0747_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0747_3	FILES/20121028_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0748_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0748_3	FILES/20121028_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0753_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0753_3	FILES/20121028_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0778_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0778_3	FILES/20121028_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0804_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0804_3	FILES/20121028_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0821_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0821_3	FILES/20121028_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0828_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0828_3	FILES/20121028_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0837_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0837_3	FILES/20121028_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0868_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0868_3	FILES/20121028_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0879_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0879_3	FILES/20121028_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0895_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0895_3	FILES/20121028_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0900_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0900_3	FILES/20121028_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0907_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0907_3	FILES/20121028_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0944_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0944_3	FILES/20121028_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0962_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0962_3	FILES/20121028_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0965_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0965_3	FILES/20121028_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0966_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0966_3	FILES/20121028_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0980_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0980_3	FILES/20121028_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0989_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0989_3	FILES/20121028_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0994_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0994_3	FILES/20121028_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1018_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1018_3	FILES/20121028_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1062_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1062_3	FILES/20121028_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1084_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1084_3	FILES/20121028_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1100_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1100_3	FILES/20121028_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1143_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1143_3	FILES/20121028_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1148_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1148_3	FILES/20121028_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1168_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1168_3	FILES/20121028_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1171_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1171_3	FILES/20121028_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1177_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1177_3	FILES/20121028_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1224_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1224_3	FILES/20121028_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1256_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1256_3	FILES/20121028_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1280_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1280_3	FILES/20121028_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1294_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1294_3	FILES/20121028_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1296_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1296_3	FILES/20121028_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1361_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1361_3	FILES/20121028_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121108_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121108_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121108_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121108_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121108_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121108_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121108_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121108_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121108_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121108_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121108_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121108_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121108_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121108_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0005_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0005_3	FILES/20121108_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0008_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0008_3	FILES/20121108_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0031_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0031_3	FILES/20121108_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0050_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0050_3	FILES/20121108_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0073_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0073_3	FILES/20121108_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0089_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0089_3	FILES/20121108_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0090_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0090_3	FILES/20121108_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0109_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0109_3	FILES/20121108_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0110_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0110_3	FILES/20121108_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0131_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0131_3	FILES/20121108_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0133_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0133_3	FILES/20121108_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0141_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0141_3	FILES/20121108_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0146_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0146_3	FILES/20121108_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0147_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0147_3	FILES/20121108_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0178_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0178_3	FILES/20121108_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0198_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0198_3	FILES/20121108_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0220_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0220_3	FILES/20121108_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0221_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0221_3	FILES/20121108_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0226_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0226_3	FILES/20121108_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0228_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0228_3	FILES/20121108_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0243_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0243_3	FILES/20121108_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0247_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0247_3	FILES/20121108_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0256_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0256_3	FILES/20121108_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0262_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0262_3	FILES/20121108_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0268_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0268_3	FILES/20121108_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0276_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0276_3	FILES/20121108_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0280_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0280_3	FILES/20121108_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0293_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0293_3	FILES/20121108_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0297_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0297_3	FILES/20121108_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0318_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0318_3	FILES/20121108_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0323_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0323_3	FILES/20121108_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0337_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0337_3	FILES/20121108_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0357_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0357_3	FILES/20121108_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0359_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0359_3	FILES/20121108_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0381_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0381_3	FILES/20121108_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0383_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0383_3	FILES/20121108_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0389_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0389_3	FILES/20121108_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0406_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0406_3	FILES/20121108_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0408_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0408_3	FILES/20121108_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0411_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0411_3	FILES/20121108_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0414_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0414_3	FILES/20121108_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0425_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0425_3	FILES/20121108_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0429_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0429_3	FILES/20121108_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0438_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0438_3	FILES/20121108_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0442_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0442_3	FILES/20121108_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0456_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0456_3	FILES/20121108_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0466_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0466_3	FILES/20121108_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0501_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0501_3	FILES/20121108_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0505_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0505_3	FILES/20121108_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0506_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0506_3	FILES/20121108_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0520_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0520_3	FILES/20121108_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0526_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0526_3	FILES/20121108_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0535_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0535_3	FILES/20121108_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0561_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0561_3	FILES/20121108_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0576_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0576_3	FILES/20121108_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0589_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0589_3	FILES/20121108_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0590_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0590_3	FILES/20121108_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0593_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0593_3	FILES/20121108_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0596_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0596_3	FILES/20121108_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0598_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0598_3	FILES/20121108_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0630_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0630_3	FILES/20121108_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0645_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0645_3	FILES/20121108_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0669_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0669_3	FILES/20121108_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0675_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0675_3	FILES/20121108_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0688_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0688_3	FILES/20121108_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0701_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0701_3	FILES/20121108_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0703_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0703_3	FILES/20121108_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0717_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0717_3	FILES/20121108_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0731_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0731_3	FILES/20121108_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0746_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0746_3	FILES/20121108_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0762_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0762_3	FILES/20121108_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0774_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0774_3	FILES/20121108_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0800_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0800_3	FILES/20121108_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0830_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0830_3	FILES/20121108_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0848_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0848_3	FILES/20121108_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0852_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0852_3	FILES/20121108_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0855_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0855_3	FILES/20121108_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0889_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0889_3	FILES/20121108_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0911_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0911_3	FILES/20121108_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0914_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0914_3	FILES/20121108_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0919_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0919_3	FILES/20121108_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0928_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0928_3	FILES/20121108_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0935_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0935_3	FILES/20121108_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0946_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0946_3	FILES/20121108_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0960_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0960_3	FILES/20121108_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0964_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0964_3	FILES/20121108_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0978_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0978_3	FILES/20121108_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1007_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1007_3	FILES/20121108_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1036_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1036_3	FILES/20121108_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1087_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1087_3	FILES/20121108_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1102_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1102_3	FILES/20121108_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1109_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1109_3	FILES/20121108_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1139_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1139_3	FILES/20121108_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1140_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1140_3	FILES/20121108_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1196_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1196_3	FILES/20121108_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1210_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1210_3	FILES/20121108_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1249_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1249_3	FILES/20121108_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1251_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1251_3	FILES/20121108_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1282_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1282_3	FILES/20121108_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1286_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1286_3	FILES/20121108_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1339_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1339_3	FILES/20121108_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1348_3	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1348_3	FILES/20121108_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121112_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121112_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121112_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121112_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121112_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121112_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121112_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121112_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121112_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121112_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121112_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121112_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121112_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121112_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0010_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0010_4	FILES/20121112_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0011_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0011_4	FILES/20121112_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0012_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0012_4	FILES/20121112_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0043_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0043_4	FILES/20121112_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0070_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0070_4	FILES/20121112_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0081_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0081_4	FILES/20121112_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0135_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0135_4	FILES/20121112_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0145_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0145_4	FILES/20121112_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0165_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0165_4	FILES/20121112_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0168_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0168_4	FILES/20121112_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0169_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0169_4	FILES/20121112_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0193_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0193_4	FILES/20121112_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0208_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0208_4	FILES/20121112_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0218_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0218_4	FILES/20121112_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0239_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0239_4	FILES/20121112_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0250_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0250_4	FILES/20121112_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0259_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0259_4	FILES/20121112_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0262_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0262_4	FILES/20121112_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0263_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0263_4	FILES/20121112_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0264_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0264_4	FILES/20121112_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0268_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0268_4	FILES/20121112_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0274_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0274_4	FILES/20121112_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0290_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0290_4	FILES/20121112_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0308_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0308_4	FILES/20121112_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0335_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0335_4	FILES/20121112_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0337_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0337_4	FILES/20121112_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0340_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0340_4	FILES/20121112_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0349_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0349_4	FILES/20121112_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0377_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0377_4	FILES/20121112_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0383_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0383_4	FILES/20121112_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0385_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0385_4	FILES/20121112_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0386_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0386_4	FILES/20121112_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0402_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0402_4	FILES/20121112_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0417_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0417_4	FILES/20121112_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0419_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0419_4	FILES/20121112_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0424_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0424_4	FILES/20121112_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0428_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0428_4	FILES/20121112_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0458_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0458_4	FILES/20121112_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0459_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0459_4	FILES/20121112_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0478_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0478_4	FILES/20121112_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0481_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0481_4	FILES/20121112_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0482_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0482_4	FILES/20121112_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0484_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0484_4	FILES/20121112_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0485_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0485_4	FILES/20121112_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0488_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0488_4	FILES/20121112_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0494_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0494_4	FILES/20121112_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0517_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0517_4	FILES/20121112_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0525_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0525_4	FILES/20121112_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0556_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0556_4	FILES/20121112_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0570_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0570_4	FILES/20121112_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0576_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0576_4	FILES/20121112_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0613_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0613_4	FILES/20121112_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0619_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0619_4	FILES/20121112_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0630_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0630_4	FILES/20121112_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0633_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0633_4	FILES/20121112_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0641_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0641_4	FILES/20121112_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0643_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0643_4	FILES/20121112_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0666_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0666_4	FILES/20121112_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0667_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0667_4	FILES/20121112_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0674_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0674_4	FILES/20121112_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0678_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0678_4	FILES/20121112_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0698_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0698_4	FILES/20121112_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0701_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0701_4	FILES/20121112_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0719_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0719_4	FILES/20121112_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0731_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0731_4	FILES/20121112_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0732_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0732_4	FILES/20121112_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0746_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0746_4	FILES/20121112_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0756_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0756_4	FILES/20121112_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0757_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0757_4	FILES/20121112_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0849_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0849_4	FILES/20121112_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0854_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0854_4	FILES/20121112_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0857_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0857_4	FILES/20121112_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0867_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0867_4	FILES/20121112_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0900_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0900_4	FILES/20121112_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0913_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0913_4	FILES/20121112_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0924_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0924_4	FILES/20121112_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0937_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0937_4	FILES/20121112_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0940_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0940_4	FILES/20121112_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0949_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0949_4	FILES/20121112_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1007_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1007_4	FILES/20121112_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1010_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1010_4	FILES/20121112_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1025_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1025_4	FILES/20121112_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1060_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1060_4	FILES/20121112_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1080_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1080_4	FILES/20121112_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1102_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1102_4	FILES/20121112_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1140_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1140_4	FILES/20121112_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1142_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1142_4	FILES/20121112_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1172_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1172_4	FILES/20121112_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1183_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1183_4	FILES/20121112_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1184_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1184_4	FILES/20121112_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1231_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1231_4	FILES/20121112_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1240_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1240_4	FILES/20121112_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1268_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1268_4	FILES/20121112_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1287_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1287_4	FILES/20121112_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1293_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1293_4	FILES/20121112_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1294_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1294_4	FILES/20121112_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1327_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1327_4	FILES/20121112_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1332_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1332_4	FILES/20121112_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1345_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1345_4	FILES/20121112_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1353_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1353_4	FILES/20121112_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1369_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1369_4	FILES/20121112_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1376_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1376_4	FILES/20121112_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121229_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20121229_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121229_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121229_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121229_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121229_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121229_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20121229_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121229_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121229_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121229_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121229_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121229_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20121229_NP+ve_117.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0002_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0002_4	FILES/20121229_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0013_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0013_4	FILES/20121229_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0017_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0017_4	FILES/20121229_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0020_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0020_4	FILES/20121229_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0041_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0041_4	FILES/20121229_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0056_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0056_4	FILES/20121229_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0067_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0067_4	FILES/20121229_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0078_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0078_4	FILES/20121229_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0087_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0087_4	FILES/20121229_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0091_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0091_4	FILES/20121229_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0100_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0100_4	FILES/20121229_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0103_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0103_4	FILES/20121229_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0106_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0106_4	FILES/20121229_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0108_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0108_4	FILES/20121229_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0110_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0110_4	FILES/20121229_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0111_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0111_4	FILES/20121229_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0136_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0136_4	FILES/20121229_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0144_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0144_4	FILES/20121229_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0151_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0151_4	FILES/20121229_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0177_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0177_4	FILES/20121229_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0178_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0178_4	FILES/20121229_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0203_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0203_4	FILES/20121229_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0205_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0205_4	FILES/20121229_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0220_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0220_4	FILES/20121229_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0233_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0233_4	FILES/20121229_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0234_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0234_4	FILES/20121229_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0261_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0261_4	FILES/20121229_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0272_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0272_4	FILES/20121229_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0293_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0293_4	FILES/20121229_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0309_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0309_4	FILES/20121229_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0313_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0313_4	FILES/20121229_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0316_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0316_4	FILES/20121229_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0318_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0318_4	FILES/20121229_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0325_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0325_4	FILES/20121229_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0341_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0341_4	FILES/20121229_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0345_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0345_4	FILES/20121229_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0358_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0358_4	FILES/20121229_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0359_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0359_4	FILES/20121229_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0365_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0365_4	FILES/20121229_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0397_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0397_4	FILES/20121229_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0400_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0400_4	FILES/20121229_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0404_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0404_4	FILES/20121229_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0413_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0413_4	FILES/20121229_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0416_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0416_4	FILES/20121229_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0422_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0422_4	FILES/20121229_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0423_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0423_4	FILES/20121229_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0425_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0425_4	FILES/20121229_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0429_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0429_4	FILES/20121229_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0431_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0431_4	FILES/20121229_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0444_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0444_4	FILES/20121229_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0450_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0450_4	FILES/20121229_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0460_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0460_4	FILES/20121229_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0477_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0477_4	FILES/20121229_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0495_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0495_4	FILES/20121229_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0500_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0500_4	FILES/20121229_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0505_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0505_4	FILES/20121229_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0521_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0521_4	FILES/20121229_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0549_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0549_4	FILES/20121229_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0573_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0573_4	FILES/20121229_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0579_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0579_4	FILES/20121229_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0589_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0589_4	FILES/20121229_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0590_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0590_4	FILES/20121229_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0600_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0600_4	FILES/20121229_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0611_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0611_4	FILES/20121229_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0628_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0628_4	FILES/20121229_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0644_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0644_4	FILES/20121229_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0676_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0676_4	FILES/20121229_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0703_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0703_4	FILES/20121229_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0706_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0706_4	FILES/20121229_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0733_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0733_4	FILES/20121229_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0745_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0745_4	FILES/20121229_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0747_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0747_4	FILES/20121229_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0768_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0768_4	FILES/20121229_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0800_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0800_4	FILES/20121229_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0832_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0832_4	FILES/20121229_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0848_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0848_4	FILES/20121229_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0852_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0852_4	FILES/20121229_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0855_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0855_4	FILES/20121229_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0866_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0866_4	FILES/20121229_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0879_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0879_4	FILES/20121229_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0911_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0911_4	FILES/20121229_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0934_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0934_4	FILES/20121229_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0945_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0945_4	FILES/20121229_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0962_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0962_4	FILES/20121229_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0965_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0965_4	FILES/20121229_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0966_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0966_4	FILES/20121229_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0994_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0994_4	FILES/20121229_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1018_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1018_4	FILES/20121229_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1068_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1068_4	FILES/20121229_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1073_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1073_4	FILES/20121229_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1086_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1086_4	FILES/20121229_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1100_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1100_4	FILES/20121229_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1156_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1156_4	FILES/20121229_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1173_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1173_4	FILES/20121229_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1174_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1174_4	FILES/20121229_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1196_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1196_4	FILES/20121229_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1197_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1197_4	FILES/20121229_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1222_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1222_4	FILES/20121229_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1274_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1274_4	FILES/20121229_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1286_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1286_4	FILES/20121229_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1298_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1298_4	FILES/20121229_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1339_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1339_4	FILES/20121229_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1375_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1375_4	FILES/20121229_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130103_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130103_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130103_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130103_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130103_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130103_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130103_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130103_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130103_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130103_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130103_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130103_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130103_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130103_NP+ve_117.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0027_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0027_4	FILES/20130103_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0029_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0029_4	FILES/20130103_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0032_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0032_4	FILES/20130103_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0038_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0038_4	FILES/20130103_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0074_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0074_4	FILES/20130103_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0084_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0084_4	FILES/20130103_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0090_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0090_4	FILES/20130103_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0113_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0113_4	FILES/20130103_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0121_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0121_4	FILES/20130103_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0162_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0162_4	FILES/20130103_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0189_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0189_4	FILES/20130103_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0204_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0204_4	FILES/20130103_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0207_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0207_4	FILES/20130103_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0211_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0211_4	FILES/20130103_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0214_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0214_4	FILES/20130103_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0227_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0227_4	FILES/20130103_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0231_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0231_4	FILES/20130103_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0235_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0235_4	FILES/20130103_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0243_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0243_4	FILES/20130103_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0251_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0251_4	FILES/20130103_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0256_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0256_4	FILES/20130103_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0266_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0266_4	FILES/20130103_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0275_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0275_4	FILES/20130103_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0296_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0296_4	FILES/20130103_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0297_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0297_4	FILES/20130103_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0306_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0306_4	FILES/20130103_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0323_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0323_4	FILES/20130103_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0330_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0330_4	FILES/20130103_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0344_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0344_4	FILES/20130103_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0352_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0352_4	FILES/20130103_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0357_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0357_4	FILES/20130103_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0362_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0362_4	FILES/20130103_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0374_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0374_4	FILES/20130103_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0381_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0381_4	FILES/20130103_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0384_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0384_4	FILES/20130103_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0390_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0390_4	FILES/20130103_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0420_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0420_4	FILES/20130103_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0433_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0433_4	FILES/20130103_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0448_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0448_4	FILES/20130103_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0455_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0455_4	FILES/20130103_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0456_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0456_4	FILES/20130103_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0462_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0462_4	FILES/20130103_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0468_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0468_4	FILES/20130103_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0473_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0473_4	FILES/20130103_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0496_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0496_4	FILES/20130103_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0503_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0503_4	FILES/20130103_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0574_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0574_4	FILES/20130103_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0577_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0577_4	FILES/20130103_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0601_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0601_4	FILES/20130103_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0610_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0610_4	FILES/20130103_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0639_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0639_4	FILES/20130103_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0645_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0645_4	FILES/20130103_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0665_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0665_4	FILES/20130103_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0669_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0669_4	FILES/20130103_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0675_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0675_4	FILES/20130103_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0692_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0692_4	FILES/20130103_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0694_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0694_4	FILES/20130103_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0695_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0695_4	FILES/20130103_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0713_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0713_4	FILES/20130103_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0718_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0718_4	FILES/20130103_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0738_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0738_4	FILES/20130103_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0767_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0767_4	FILES/20130103_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0786_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0786_4	FILES/20130103_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0808_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0808_4	FILES/20130103_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0819_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0819_4	FILES/20130103_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0843_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0843_4	FILES/20130103_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0844_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0844_4	FILES/20130103_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0845_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0845_4	FILES/20130103_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0853_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0853_4	FILES/20130103_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0880_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0880_4	FILES/20130103_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0898_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0898_4	FILES/20130103_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0910_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0910_4	FILES/20130103_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0919_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0919_4	FILES/20130103_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0920_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0920_4	FILES/20130103_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0928_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0928_4	FILES/20130103_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0935_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0935_4	FILES/20130103_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0946_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0946_4	FILES/20130103_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0970_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0970_4	FILES/20130103_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0974_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0974_4	FILES/20130103_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0979_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0979_4	FILES/20130103_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1017_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1017_4	FILES/20130103_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1038_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1038_4	FILES/20130103_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1047_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1047_4	FILES/20130103_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1119_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1119_4	FILES/20130103_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1139_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1139_4	FILES/20130103_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1141_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1141_4	FILES/20130103_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1146_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1146_4	FILES/20130103_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1175_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1175_4	FILES/20130103_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1178_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1178_4	FILES/20130103_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1181_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1181_4	FILES/20130103_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1193_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1193_4	FILES/20130103_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1194_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1194_4	FILES/20130103_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1211_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1211_4	FILES/20130103_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1212_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1212_4	FILES/20130103_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1228_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1228_4	FILES/20130103_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1262_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1262_4	FILES/20130103_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1272_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1272_4	FILES/20130103_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1279_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1279_4	FILES/20130103_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1309_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1309_4	FILES/20130103_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1340_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1340_4	FILES/20130103_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1344_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1344_4	FILES/20130103_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1351_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1351_4	FILES/20130103_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1370_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1370_4	FILES/20130103_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130109_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130109_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130109_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130109_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130109_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130109_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130109_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130109_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130109_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130109_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130109_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130109_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130109_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130109_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0003_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0003_4	FILES/20130109_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0005_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0005_4	FILES/20130109_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0006_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0006_4	FILES/20130109_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0024_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0024_4	FILES/20130109_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0034_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0034_4	FILES/20130109_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0042_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0042_4	FILES/20130109_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0065_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0065_4	FILES/20130109_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0073_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0073_4	FILES/20130109_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0098_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0098_4	FILES/20130109_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0105_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0105_4	FILES/20130109_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0112_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0112_4	FILES/20130109_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0127_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0127_4	FILES/20130109_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0157_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0157_4	FILES/20130109_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0163_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0163_4	FILES/20130109_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0185_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0185_4	FILES/20130109_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0190_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0190_4	FILES/20130109_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0206_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0206_4	FILES/20130109_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0209_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0209_4	FILES/20130109_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0224_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0224_4	FILES/20130109_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0230_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0230_4	FILES/20130109_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0246_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0246_4	FILES/20130109_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0247_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0247_4	FILES/20130109_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0248_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0248_4	FILES/20130109_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0253_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0253_4	FILES/20130109_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0276_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0276_4	FILES/20130109_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0277_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0277_4	FILES/20130109_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0278_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0278_4	FILES/20130109_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0286_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0286_4	FILES/20130109_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0319_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0319_4	FILES/20130109_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0332_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0332_4	FILES/20130109_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0333_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0333_4	FILES/20130109_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0343_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0343_4	FILES/20130109_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0346_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0346_4	FILES/20130109_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0356_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0356_4	FILES/20130109_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0367_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0367_4	FILES/20130109_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0375_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0375_4	FILES/20130109_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0393_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0393_4	FILES/20130109_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0396_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0396_4	FILES/20130109_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0403_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0403_4	FILES/20130109_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0408_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0408_4	FILES/20130109_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0409_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0409_4	FILES/20130109_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0412_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0412_4	FILES/20130109_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0430_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0430_4	FILES/20130109_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0446_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0446_4	FILES/20130109_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0502_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0502_4	FILES/20130109_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0508_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0508_4	FILES/20130109_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0533_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0533_4	FILES/20130109_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0543_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0543_4	FILES/20130109_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0544_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0544_4	FILES/20130109_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0548_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0548_4	FILES/20130109_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0559_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0559_4	FILES/20130109_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0563_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0563_4	FILES/20130109_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0571_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0571_4	FILES/20130109_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0575_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0575_4	FILES/20130109_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0596_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0596_4	FILES/20130109_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0627_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0627_4	FILES/20130109_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0640_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0640_4	FILES/20130109_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0647_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0647_4	FILES/20130109_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0649_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0649_4	FILES/20130109_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0668_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0668_4	FILES/20130109_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0673_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0673_4	FILES/20130109_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0697_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0697_4	FILES/20130109_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0704_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0704_4	FILES/20130109_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0724_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0724_4	FILES/20130109_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0735_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0735_4	FILES/20130109_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0749_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0749_4	FILES/20130109_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0753_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0753_4	FILES/20130109_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0762_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0762_4	FILES/20130109_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0774_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0774_4	FILES/20130109_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0861_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0861_4	FILES/20130109_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0881_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0881_4	FILES/20130109_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0915_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0915_4	FILES/20130109_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0969_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0969_4	FILES/20130109_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0971_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0971_4	FILES/20130109_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0978_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0978_4	FILES/20130109_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0982_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0982_4	FILES/20130109_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0983_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0983_4	FILES/20130109_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0989_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0989_4	FILES/20130109_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0990_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0990_4	FILES/20130109_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1001_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1001_4	FILES/20130109_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1065_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1065_4	FILES/20130109_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1087_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1087_4	FILES/20130109_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1103_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1103_4	FILES/20130109_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1115_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1115_4	FILES/20130109_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1132_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1132_4	FILES/20130109_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1143_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1143_4	FILES/20130109_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1191_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1191_4	FILES/20130109_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1192_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1192_4	FILES/20130109_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1200_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1200_4	FILES/20130109_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1206_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1206_4	FILES/20130109_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1229_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1229_4	FILES/20130109_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1232_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1232_4	FILES/20130109_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1235_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1235_4	FILES/20130109_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1251_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1251_4	FILES/20130109_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1261_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1261_4	FILES/20130109_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1263_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1263_4	FILES/20130109_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1288_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1288_4	FILES/20130109_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1348_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1348_4	FILES/20130109_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1372_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1372_4	FILES/20130109_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130115_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130115_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130115_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130115_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130115_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130115_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130115_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130115_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130115_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130115_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130115_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130115_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130115_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130115_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0022_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0022_4	FILES/20130115_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0030_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0030_4	FILES/20130115_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0031_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0031_4	FILES/20130115_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0037_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0037_4	FILES/20130115_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0040_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0040_4	FILES/20130115_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0049_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0049_4	FILES/20130115_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0058_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0058_4	FILES/20130115_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0077_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0077_4	FILES/20130115_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0083_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0083_4	FILES/20130115_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0088_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0088_4	FILES/20130115_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0089_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0089_4	FILES/20130115_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0092_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0092_4	FILES/20130115_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0096_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0096_4	FILES/20130115_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0097_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0097_4	FILES/20130115_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0101_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0101_4	FILES/20130115_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0104_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0104_4	FILES/20130115_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0109_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0109_4	FILES/20130115_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0118_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0118_4	FILES/20130115_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0133_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0133_4	FILES/20130115_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0139_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0139_4	FILES/20130115_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0143_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0143_4	FILES/20130115_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0146_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0146_4	FILES/20130115_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0150_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0150_4	FILES/20130115_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0156_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0156_4	FILES/20130115_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0164_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0164_4	FILES/20130115_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0173_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0173_4	FILES/20130115_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0219_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0219_4	FILES/20130115_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0221_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0221_4	FILES/20130115_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0226_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0226_4	FILES/20130115_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0269_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0269_4	FILES/20130115_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0280_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0280_4	FILES/20130115_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0281_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0281_4	FILES/20130115_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0288_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0288_4	FILES/20130115_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0292_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0292_4	FILES/20130115_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0295_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0295_4	FILES/20130115_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0315_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0315_4	FILES/20130115_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0317_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0317_4	FILES/20130115_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0338_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0338_4	FILES/20130115_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0339_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0339_4	FILES/20130115_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0361_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0361_4	FILES/20130115_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0373_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0373_4	FILES/20130115_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0392_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0392_4	FILES/20130115_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0398_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0398_4	FILES/20130115_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0399_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0399_4	FILES/20130115_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0406_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0406_4	FILES/20130115_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0464_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0464_4	FILES/20130115_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0470_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0470_4	FILES/20130115_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0499_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0499_4	FILES/20130115_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0501_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0501_4	FILES/20130115_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0504_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0504_4	FILES/20130115_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0522_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0522_4	FILES/20130115_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0526_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0526_4	FILES/20130115_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0545_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0545_4	FILES/20130115_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0553_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0553_4	FILES/20130115_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0554_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0554_4	FILES/20130115_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0557_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0557_4	FILES/20130115_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0558_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0558_4	FILES/20130115_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0560_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0560_4	FILES/20130115_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0603_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0603_4	FILES/20130115_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0618_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0618_4	FILES/20130115_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0622_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0622_4	FILES/20130115_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0739_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0739_4	FILES/20130115_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0748_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0748_4	FILES/20130115_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0752_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0752_4	FILES/20130115_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0761_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0761_4	FILES/20130115_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0785_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0785_4	FILES/20130115_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0795_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0795_4	FILES/20130115_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0804_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0804_4	FILES/20130115_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0828_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0828_4	FILES/20130115_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0837_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0837_4	FILES/20130115_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0841_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0841_4	FILES/20130115_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0847_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0847_4	FILES/20130115_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0859_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0859_4	FILES/20130115_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0888_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0888_4	FILES/20130115_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0889_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0889_4	FILES/20130115_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0891_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0891_4	FILES/20130115_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0895_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0895_4	FILES/20130115_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0912_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0912_4	FILES/20130115_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0914_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0914_4	FILES/20130115_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0943_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0943_4	FILES/20130115_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0944_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0944_4	FILES/20130115_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0959_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0959_4	FILES/20130115_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0977_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0977_4	FILES/20130115_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1062_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1062_4	FILES/20130115_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1074_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1074_4	FILES/20130115_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1084_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1084_4	FILES/20130115_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1129_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1129_4	FILES/20130115_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1147_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1147_4	FILES/20130115_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1168_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1168_4	FILES/20130115_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1171_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1171_4	FILES/20130115_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1177_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1177_4	FILES/20130115_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1257_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1257_4	FILES/20130115_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1259_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1259_4	FILES/20130115_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1280_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1280_4	FILES/20130115_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1300_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1300_4	FILES/20130115_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1312_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1312_4	FILES/20130115_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1330_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1330_4	FILES/20130115_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1361_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1361_4	FILES/20130115_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1367_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1367_4	FILES/20130115_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130120_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130120_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130120_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130120_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130120_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130120_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130120_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130120_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130120_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130120_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130120_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130120_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130120_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130120_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0007_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0007_4	FILES/20130120_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0008_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0008_4	FILES/20130120_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0014_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0014_4	FILES/20130120_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0015_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0015_4	FILES/20130120_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0019_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0019_4	FILES/20130120_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0021_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0021_4	FILES/20130120_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0023_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0023_4	FILES/20130120_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0025_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0025_4	FILES/20130120_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0026_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0026_4	FILES/20130120_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0035_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0035_4	FILES/20130120_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0036_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0036_4	FILES/20130120_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0039_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0039_4	FILES/20130120_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0044_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0044_4	FILES/20130120_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0050_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0050_4	FILES/20130120_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0071_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0071_4	FILES/20130120_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0086_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0086_4	FILES/20130120_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0115_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0115_4	FILES/20130120_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0129_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0129_4	FILES/20130120_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0137_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0137_4	FILES/20130120_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0138_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0138_4	FILES/20130120_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0140_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0140_4	FILES/20130120_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0141_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0141_4	FILES/20130120_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0149_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0149_4	FILES/20130120_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0154_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0154_4	FILES/20130120_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0158_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0158_4	FILES/20130120_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0159_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0159_4	FILES/20130120_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0197_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0197_4	FILES/20130120_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0198_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0198_4	FILES/20130120_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0249_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0249_4	FILES/20130120_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0257_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0257_4	FILES/20130120_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0271_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0271_4	FILES/20130120_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0284_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0284_4	FILES/20130120_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0298_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0298_4	FILES/20130120_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0301_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0301_4	FILES/20130120_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0322_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0322_4	FILES/20130120_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0329_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0329_4	FILES/20130120_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0334_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0334_4	FILES/20130120_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0369_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0369_4	FILES/20130120_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0372_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0372_4	FILES/20130120_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0380_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0380_4	FILES/20130120_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0405_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0405_4	FILES/20130120_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0411_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0411_4	FILES/20130120_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0414_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0414_4	FILES/20130120_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0415_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0415_4	FILES/20130120_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0418_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0418_4	FILES/20130120_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0435_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0435_4	FILES/20130120_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0438_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0438_4	FILES/20130120_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0442_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0442_4	FILES/20130120_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0445_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0445_4	FILES/20130120_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0463_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0463_4	FILES/20130120_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0466_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0466_4	FILES/20130120_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0486_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0486_4	FILES/20130120_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0487_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0487_4	FILES/20130120_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0491_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0491_4	FILES/20130120_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0493_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0493_4	FILES/20130120_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0497_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0497_4	FILES/20130120_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0498_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0498_4	FILES/20130120_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0506_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0506_4	FILES/20130120_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0507_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0507_4	FILES/20130120_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0511_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0511_4	FILES/20130120_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0514_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0514_4	FILES/20130120_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0523_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0523_4	FILES/20130120_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0535_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0535_4	FILES/20130120_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0561_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0561_4	FILES/20130120_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0572_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0572_4	FILES/20130120_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0587_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0587_4	FILES/20130120_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0593_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0593_4	FILES/20130120_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0599_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0599_4	FILES/20130120_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0602_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0602_4	FILES/20130120_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0604_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0604_4	FILES/20130120_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0636_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0636_4	FILES/20130120_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0646_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0646_4	FILES/20130120_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0651_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0651_4	FILES/20130120_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0671_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0671_4	FILES/20130120_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0672_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0672_4	FILES/20130120_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0743_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0743_4	FILES/20130120_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0764_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0764_4	FILES/20130120_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0766_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0766_4	FILES/20130120_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0790_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0790_4	FILES/20130120_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0803_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0803_4	FILES/20130120_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0821_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0821_4	FILES/20130120_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0833_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0833_4	FILES/20130120_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0850_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0850_4	FILES/20130120_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0865_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0865_4	FILES/20130120_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0868_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0868_4	FILES/20130120_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0886_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0886_4	FILES/20130120_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0909_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0909_4	FILES/20130120_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0960_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0960_4	FILES/20130120_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0964_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0964_4	FILES/20130120_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0980_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0980_4	FILES/20130120_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1041_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1041_4	FILES/20130120_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1069_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1069_4	FILES/20130120_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1077_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1077_4	FILES/20130120_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1085_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1085_4	FILES/20130120_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1108_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1108_4	FILES/20130120_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1179_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1179_4	FILES/20130120_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1247_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1247_4	FILES/20130120_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1256_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1256_4	FILES/20130120_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1273_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1273_4	FILES/20130120_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1275_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1275_4	FILES/20130120_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1341_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1341_4	FILES/20130120_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1343_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1343_4	FILES/20130120_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130128_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130128_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130128_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130128_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130128_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130128_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130128_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130128_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130128_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130128_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130128_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130128_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130128_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130128_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0001_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0001_4	FILES/20130128_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0009_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0009_4	FILES/20130128_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0016_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0016_4	FILES/20130128_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0064_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0064_4	FILES/20130128_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0072_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0072_4	FILES/20130128_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0075_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0075_4	FILES/20130128_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0085_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0085_4	FILES/20130128_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0095_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0095_4	FILES/20130128_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0107_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0107_4	FILES/20130128_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0116_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0116_4	FILES/20130128_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0131_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0131_4	FILES/20130128_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0147_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0147_4	FILES/20130128_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0148_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0148_4	FILES/20130128_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0155_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0155_4	FILES/20130128_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0166_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0166_4	FILES/20130128_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0183_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0183_4	FILES/20130128_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0191_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0191_4	FILES/20130128_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0212_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0212_4	FILES/20130128_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0216_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0216_4	FILES/20130128_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0228_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0228_4	FILES/20130128_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0282_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0282_4	FILES/20130128_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0285_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0285_4	FILES/20130128_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0294_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0294_4	FILES/20130128_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0299_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0299_4	FILES/20130128_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0300_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0300_4	FILES/20130128_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0307_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0307_4	FILES/20130128_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0312_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0312_4	FILES/20130128_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0314_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0314_4	FILES/20130128_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0324_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0324_4	FILES/20130128_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0331_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0331_4	FILES/20130128_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0336_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0336_4	FILES/20130128_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0350_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0350_4	FILES/20130128_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0351_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0351_4	FILES/20130128_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0353_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0353_4	FILES/20130128_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0363_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0363_4	FILES/20130128_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0389_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0389_4	FILES/20130128_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0401_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0401_4	FILES/20130128_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0410_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0410_4	FILES/20130128_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0421_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0421_4	FILES/20130128_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0467_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0467_4	FILES/20130128_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0471_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0471_4	FILES/20130128_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0472_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0472_4	FILES/20130128_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0474_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0474_4	FILES/20130128_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0476_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0476_4	FILES/20130128_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0480_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0480_4	FILES/20130128_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0483_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0483_4	FILES/20130128_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0510_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0510_4	FILES/20130128_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0512_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0512_4	FILES/20130128_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0520_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0520_4	FILES/20130128_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0551_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0551_4	FILES/20130128_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0555_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0555_4	FILES/20130128_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0564_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0564_4	FILES/20130128_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0565_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0565_4	FILES/20130128_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0581_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0581_4	FILES/20130128_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0582_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0582_4	FILES/20130128_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0583_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0583_4	FILES/20130128_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0585_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0585_4	FILES/20130128_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0598_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0598_4	FILES/20130128_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0606_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0606_4	FILES/20130128_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0617_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0617_4	FILES/20130128_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0648_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0648_4	FILES/20130128_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0688_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0688_4	FILES/20130128_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0689_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0689_4	FILES/20130128_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0693_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0693_4	FILES/20130128_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0710_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0710_4	FILES/20130128_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0714_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0714_4	FILES/20130128_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0717_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0717_4	FILES/20130128_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0765_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0765_4	FILES/20130128_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0775_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0775_4	FILES/20130128_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0778_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0778_4	FILES/20130128_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0787_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0787_4	FILES/20130128_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0830_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0830_4	FILES/20130128_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0902_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0902_4	FILES/20130128_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0916_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0916_4	FILES/20130128_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0917_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0917_4	FILES/20130128_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0938_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0938_4	FILES/20130128_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0972_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0972_4	FILES/20130128_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0986_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0986_4	FILES/20130128_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1008_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1008_4	FILES/20130128_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1036_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1036_4	FILES/20130128_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1075_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1075_4	FILES/20130128_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1083_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1083_4	FILES/20130128_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1109_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1109_4	FILES/20130128_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1135_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1135_4	FILES/20130128_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1148_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1148_4	FILES/20130128_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1176_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1176_4	FILES/20130128_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1182_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1182_4	FILES/20130128_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1198_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1198_4	FILES/20130128_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1210_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1210_4	FILES/20130128_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1216_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1216_4	FILES/20130128_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1220_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1220_4	FILES/20130128_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1224_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1224_4	FILES/20130128_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1226_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1226_4	FILES/20130128_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1249_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1249_4	FILES/20130128_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1265_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1265_4	FILES/20130128_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1282_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1282_4	FILES/20130128_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1283_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1283_4	FILES/20130128_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1296_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1296_4	FILES/20130128_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1311_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1311_4	FILES/20130128_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1333_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1333_4	FILES/20130128_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1349_4	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1349_4	FILES/20130128_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130201_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130201_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130201_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130201_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130201_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130201_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130201_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130201_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130201_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130201_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130201_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130201_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130201_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130201_NP+ve_117.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0008_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0008_5	FILES/20130201_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0010_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0010_5	FILES/20130201_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0015_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0015_5	FILES/20130201_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0016_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0016_5	FILES/20130201_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0019_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0019_5	FILES/20130201_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0023_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0023_5	FILES/20130201_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0025_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0025_5	FILES/20130201_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0038_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0038_5	FILES/20130201_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0040_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0040_5	FILES/20130201_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0042_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0042_5	FILES/20130201_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0044_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0044_5	FILES/20130201_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0058_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0058_5	FILES/20130201_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0078_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0078_5	FILES/20130201_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0084_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0084_5	FILES/20130201_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0104_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0104_5	FILES/20130201_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0109_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0109_5	FILES/20130201_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0110_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0110_5	FILES/20130201_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0133_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0133_5	FILES/20130201_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0134_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0134_5	FILES/20130201_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0150_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0150_5	FILES/20130201_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0158_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0158_5	FILES/20130201_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0177_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0177_5	FILES/20130201_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0183_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0183_5	FILES/20130201_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0190_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0190_5	FILES/20130201_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0198_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0198_5	FILES/20130201_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0206_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0206_5	FILES/20130201_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0208_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0208_5	FILES/20130201_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0221_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0221_5	FILES/20130201_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0224_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0224_5	FILES/20130201_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0231_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0231_5	FILES/20130201_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0243_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0243_5	FILES/20130201_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0262_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0262_5	FILES/20130201_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0280_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0280_5	FILES/20130201_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0286_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0286_5	FILES/20130201_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0294_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0294_5	FILES/20130201_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0297_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0297_5	FILES/20130201_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0299_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0299_5	FILES/20130201_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0313_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0313_5	FILES/20130201_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0323_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0323_5	FILES/20130201_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0324_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0324_5	FILES/20130201_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0340_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0340_5	FILES/20130201_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0350_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0350_5	FILES/20130201_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0361_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0361_5	FILES/20130201_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0365_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0365_5	FILES/20130201_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0374_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0374_5	FILES/20130201_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0377_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0377_5	FILES/20130201_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0381_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0381_5	FILES/20130201_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0386_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0386_5	FILES/20130201_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0389_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0389_5	FILES/20130201_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0406_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0406_5	FILES/20130201_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0428_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0428_5	FILES/20130201_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0455_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0455_5	FILES/20130201_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0458_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0458_5	FILES/20130201_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0459_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0459_5	FILES/20130201_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0464_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0464_5	FILES/20130201_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0521_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0521_5	FILES/20130201_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0533_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0533_5	FILES/20130201_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0535_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0535_5	FILES/20130201_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0560_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0560_5	FILES/20130201_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0570_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0570_5	FILES/20130201_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0575_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0575_5	FILES/20130201_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0576_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0576_5	FILES/20130201_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0604_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0604_5	FILES/20130201_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0618_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0618_5	FILES/20130201_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0633_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0633_5	FILES/20130201_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0647_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0647_5	FILES/20130201_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0667_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0667_5	FILES/20130201_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0733_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0733_5	FILES/20130201_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0743_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0743_5	FILES/20130201_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0746_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0746_5	FILES/20130201_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0748_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0748_5	FILES/20130201_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0753_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0753_5	FILES/20130201_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0774_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0774_5	FILES/20130201_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0786_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0786_5	FILES/20130201_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0796_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0796_5	FILES/20130201_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0808_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0808_5	FILES/20130201_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0844_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0844_5	FILES/20130201_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0867_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0867_5	FILES/20130201_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0916_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0916_5	FILES/20130201_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0924_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0924_5	FILES/20130201_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0934_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0934_5	FILES/20130201_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0943_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0943_5	FILES/20130201_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0962_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0962_5	FILES/20130201_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0966_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0966_5	FILES/20130201_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0970_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0970_5	FILES/20130201_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0983_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0983_5	FILES/20130201_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0989_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0989_5	FILES/20130201_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1010_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1010_5	FILES/20130201_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1017_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1017_5	FILES/20130201_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1041_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1041_5	FILES/20130201_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1060_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1060_5	FILES/20130201_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1102_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1102_5	FILES/20130201_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1132_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1132_5	FILES/20130201_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1135_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1135_5	FILES/20130201_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1140_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1140_5	FILES/20130201_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1181_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1181_5	FILES/20130201_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1182_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1182_5	FILES/20130201_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1200_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1200_5	FILES/20130201_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1262_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1262_5	FILES/20130201_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1280_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1280_5	FILES/20130201_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1340_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1340_5	FILES/20130201_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1341_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1341_5	FILES/20130201_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1372_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1372_5	FILES/20130201_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130321_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130321_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130321_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130321_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130321_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130321_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130321_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130321_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130321_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130321_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130321_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130321_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130321_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130321_NP+ve_117.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0011_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0011_5	FILES/20130321_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0039_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0039_5	FILES/20130321_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0041_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0041_5	FILES/20130321_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0043_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0043_5	FILES/20130321_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0049_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0049_5	FILES/20130321_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0077_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0077_5	FILES/20130321_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0088_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0088_5	FILES/20130321_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0097_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0097_5	FILES/20130321_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0127_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0127_5	FILES/20130321_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0141_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0141_5	FILES/20130321_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0151_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0151_5	FILES/20130321_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0166_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0166_5	FILES/20130321_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0203_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0203_5	FILES/20130321_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0209_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0209_5	FILES/20130321_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0211_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0211_5	FILES/20130321_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0220_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0220_5	FILES/20130321_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0228_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0228_5	FILES/20130321_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0235_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0235_5	FILES/20130321_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0251_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0251_5	FILES/20130321_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0269_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0269_5	FILES/20130321_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0272_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0272_5	FILES/20130321_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0275_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0275_5	FILES/20130321_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0278_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0278_5	FILES/20130321_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0279_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0279_5	FILES/20130321_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0284_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0284_5	FILES/20130321_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0300_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0300_5	FILES/20130321_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0329_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0329_5	FILES/20130321_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0333_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0333_5	FILES/20130321_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0337_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0337_5	FILES/20130321_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0344_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0344_5	FILES/20130321_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0353_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0353_5	FILES/20130321_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0372_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0372_5	FILES/20130321_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0375_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0375_5	FILES/20130321_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0393_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0393_5	FILES/20130321_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0396_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0396_5	FILES/20130321_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0425_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0425_5	FILES/20130321_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0431_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0431_5	FILES/20130321_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0438_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0438_5	FILES/20130321_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0448_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0448_5	FILES/20130321_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0463_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0463_5	FILES/20130321_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0466_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0466_5	FILES/20130321_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0481_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0481_5	FILES/20130321_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0488_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0488_5	FILES/20130321_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0495_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0495_5	FILES/20130321_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0499_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0499_5	FILES/20130321_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0500_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0500_5	FILES/20130321_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0501_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0501_5	FILES/20130321_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0511_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0511_5	FILES/20130321_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0514_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0514_5	FILES/20130321_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0517_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0517_5	FILES/20130321_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0555_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0555_5	FILES/20130321_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0565_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0565_5	FILES/20130321_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0572_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0572_5	FILES/20130321_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0574_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0574_5	FILES/20130321_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0617_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0617_5	FILES/20130321_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0628_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0628_5	FILES/20130321_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0641_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0641_5	FILES/20130321_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0651_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0651_5	FILES/20130321_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0671_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0671_5	FILES/20130321_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0675_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0675_5	FILES/20130321_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0695_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0695_5	FILES/20130321_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0704_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0704_5	FILES/20130321_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0713_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0713_5	FILES/20130321_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0714_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0714_5	FILES/20130321_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0731_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0731_5	FILES/20130321_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0747_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0747_5	FILES/20130321_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0752_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0752_5	FILES/20130321_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0775_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0775_5	FILES/20130321_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0778_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0778_5	FILES/20130321_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0785_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0785_5	FILES/20130321_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0790_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0790_5	FILES/20130321_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0833_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0833_5	FILES/20130321_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0847_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0847_5	FILES/20130321_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0853_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0853_5	FILES/20130321_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0857_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0857_5	FILES/20130321_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0886_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0886_5	FILES/20130321_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0895_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0895_5	FILES/20130321_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0900_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0900_5	FILES/20130321_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0914_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0914_5	FILES/20130321_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0915_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0915_5	FILES/20130321_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0946_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0946_5	FILES/20130321_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0972_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0972_5	FILES/20130321_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0982_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0982_5	FILES/20130321_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0994_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0994_5	FILES/20130321_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1008_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1008_5	FILES/20130321_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1018_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1018_5	FILES/20130321_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1080_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1080_5	FILES/20130321_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1085_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1085_5	FILES/20130321_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1086_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1086_5	FILES/20130321_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1108_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1108_5	FILES/20130321_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1141_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1141_5	FILES/20130321_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1168_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1168_5	FILES/20130321_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1174_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1174_5	FILES/20130321_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1194_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1194_5	FILES/20130321_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1220_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1220_5	FILES/20130321_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1265_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1265_5	FILES/20130321_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1272_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1272_5	FILES/20130321_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1293_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1293_5	FILES/20130321_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1300_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1300_5	FILES/20130321_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1312_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1312_5	FILES/20130321_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1344_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1344_5	FILES/20130321_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1345_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1345_5	FILES/20130321_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1351_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1351_5	FILES/20130321_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130328_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130328_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130328_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130328_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130328_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130328_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130328_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130328_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130328_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130328_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130328_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130328_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130328_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130328_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0013_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0013_5	FILES/20130328_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0032_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0032_5	FILES/20130328_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0034_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0034_5	FILES/20130328_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0036_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0036_5	FILES/20130328_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0064_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0064_5	FILES/20130328_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0070_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0070_5	FILES/20130328_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0081_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0081_5	FILES/20130328_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0086_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0086_5	FILES/20130328_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0090_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0090_5	FILES/20130328_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0098_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0098_5	FILES/20130328_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0101_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0101_5	FILES/20130328_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0143_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0143_5	FILES/20130328_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0144_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0144_5	FILES/20130328_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0154_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0154_5	FILES/20130328_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0155_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0155_5	FILES/20130328_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0163_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0163_5	FILES/20130328_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0164_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0164_5	FILES/20130328_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0168_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0168_5	FILES/20130328_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0185_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0185_5	FILES/20130328_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0189_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0189_5	FILES/20130328_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0204_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0204_5	FILES/20130328_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0214_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0214_5	FILES/20130328_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0216_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0216_5	FILES/20130328_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0250_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0250_5	FILES/20130328_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0261_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0261_5	FILES/20130328_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0271_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0271_5	FILES/20130328_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0274_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0274_5	FILES/20130328_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0288_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0288_5	FILES/20130328_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0293_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0293_5	FILES/20130328_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0308_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0308_5	FILES/20130328_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0330_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0330_5	FILES/20130328_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0331_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0331_5	FILES/20130328_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0339_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0339_5	FILES/20130328_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0346_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0346_5	FILES/20130328_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0358_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0358_5	FILES/20130328_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0380_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0380_5	FILES/20130328_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0392_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0392_5	FILES/20130328_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0401_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0401_5	FILES/20130328_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0408_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0408_5	FILES/20130328_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0412_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0412_5	FILES/20130328_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0415_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0415_5	FILES/20130328_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0417_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0417_5	FILES/20130328_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0421_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0421_5	FILES/20130328_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0462_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0462_5	FILES/20130328_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0470_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0470_5	FILES/20130328_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0472_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0472_5	FILES/20130328_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0480_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0480_5	FILES/20130328_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0483_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0483_5	FILES/20130328_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0497_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0497_5	FILES/20130328_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0502_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0502_5	FILES/20130328_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0510_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0510_5	FILES/20130328_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0520_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0520_5	FILES/20130328_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0544_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0544_5	FILES/20130328_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0593_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0593_5	FILES/20130328_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0596_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0596_5	FILES/20130328_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0601_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0601_5	FILES/20130328_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0603_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0603_5	FILES/20130328_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0622_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0622_5	FILES/20130328_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0627_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0627_5	FILES/20130328_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0630_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0630_5	FILES/20130328_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0665_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0665_5	FILES/20130328_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0673_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0673_5	FILES/20130328_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0694_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0694_5	FILES/20130328_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0703_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0703_5	FILES/20130328_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0706_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0706_5	FILES/20130328_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0717_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0717_5	FILES/20130328_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0724_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0724_5	FILES/20130328_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0749_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0749_5	FILES/20130328_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0767_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0767_5	FILES/20130328_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0795_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0795_5	FILES/20130328_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0849_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0849_5	FILES/20130328_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0855_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0855_5	FILES/20130328_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0859_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0859_5	FILES/20130328_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0865_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0865_5	FILES/20130328_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0891_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0891_5	FILES/20130328_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0940_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0940_5	FILES/20130328_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0945_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0945_5	FILES/20130328_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0964_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0964_5	FILES/20130328_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0969_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0969_5	FILES/20130328_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0977_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0977_5	FILES/20130328_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0980_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0980_5	FILES/20130328_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0990_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0990_5	FILES/20130328_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1001_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1001_5	FILES/20130328_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1065_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1065_5	FILES/20130328_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1069_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1069_5	FILES/20130328_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1077_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1077_5	FILES/20130328_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1084_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1084_5	FILES/20130328_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1103_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1103_5	FILES/20130328_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1173_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1173_5	FILES/20130328_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1175_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1175_5	FILES/20130328_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1179_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1179_5	FILES/20130328_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1184_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1184_5	FILES/20130328_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1229_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1229_5	FILES/20130328_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1240_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1240_5	FILES/20130328_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1247_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1247_5	FILES/20130328_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1273_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1273_5	FILES/20130328_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1286_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1286_5	FILES/20130328_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1296_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1296_5	FILES/20130328_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1298_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1298_5	FILES/20130328_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1327_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1327_5	FILES/20130328_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1333_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1333_5	FILES/20130328_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130415_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130415_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130415_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130415_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130415_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130415_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130415_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130415_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130415_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130415_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130415_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130415_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130415_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130415_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0006_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0006_5	FILES/20130415_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0009_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0009_5	FILES/20130415_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0022_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0022_5	FILES/20130415_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0029_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0029_5	FILES/20130415_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0037_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0037_5	FILES/20130415_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0075_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0075_5	FILES/20130415_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0083_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0083_5	FILES/20130415_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0094_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0094_5	FILES/20130415_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0095_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0095_5	FILES/20130415_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0106_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0106_5	FILES/20130415_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0107_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0107_5	FILES/20130415_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0113_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0113_5	FILES/20130415_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0129_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0129_5	FILES/20130415_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0135_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0135_5	FILES/20130415_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0145_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0145_5	FILES/20130415_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0146_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0146_5	FILES/20130415_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0149_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0149_5	FILES/20130415_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0173_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0173_5	FILES/20130415_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0205_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0205_5	FILES/20130415_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0233_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0233_5	FILES/20130415_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0246_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0246_5	FILES/20130415_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0249_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0249_5	FILES/20130415_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0264_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0264_5	FILES/20130415_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0282_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0282_5	FILES/20130415_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0309_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0309_5	FILES/20130415_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0314_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0314_5	FILES/20130415_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0322_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0322_5	FILES/20130415_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0334_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0334_5	FILES/20130415_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0343_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0343_5	FILES/20130415_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0345_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0345_5	FILES/20130415_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0351_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0351_5	FILES/20130415_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0383_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0383_5	FILES/20130415_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0400_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0400_5	FILES/20130415_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0410_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0410_5	FILES/20130415_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0418_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0418_5	FILES/20130415_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0420_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0420_5	FILES/20130415_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0422_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0422_5	FILES/20130415_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0423_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0423_5	FILES/20130415_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0424_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0424_5	FILES/20130415_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0429_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0429_5	FILES/20130415_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0435_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0435_5	FILES/20130415_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0446_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0446_5	FILES/20130415_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0478_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0478_5	FILES/20130415_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0484_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0484_5	FILES/20130415_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0498_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0498_5	FILES/20130415_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0556_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0556_5	FILES/20130415_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0559_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0559_5	FILES/20130415_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0589_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0589_5	FILES/20130415_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0639_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0639_5	FILES/20130415_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0644_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0644_5	FILES/20130415_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0646_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0646_5	FILES/20130415_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0674_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0674_5	FILES/20130415_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0688_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0688_5	FILES/20130415_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0697_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0697_5	FILES/20130415_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0710_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0710_5	FILES/20130415_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0718_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0718_5	FILES/20130415_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0732_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0732_5	FILES/20130415_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0764_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0764_5	FILES/20130415_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0787_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0787_5	FILES/20130415_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0828_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0828_5	FILES/20130415_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0841_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0841_5	FILES/20130415_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0845_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0845_5	FILES/20130415_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0848_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0848_5	FILES/20130415_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0861_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0861_5	FILES/20130415_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0866_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0866_5	FILES/20130415_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0879_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0879_5	FILES/20130415_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0889_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0889_5	FILES/20130415_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0909_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0909_5	FILES/20130415_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0928_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0928_5	FILES/20130415_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0938_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0938_5	FILES/20130415_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0959_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0959_5	FILES/20130415_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0965_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0965_5	FILES/20130415_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0979_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0979_5	FILES/20130415_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0986_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0986_5	FILES/20130415_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1025_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1025_5	FILES/20130415_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1068_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1068_5	FILES/20130415_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1087_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1087_5	FILES/20130415_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1100_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1100_5	FILES/20130415_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1119_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1119_5	FILES/20130415_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1156_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1156_5	FILES/20130415_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1172_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1172_5	FILES/20130415_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1177_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1177_5	FILES/20130415_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1183_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1183_5	FILES/20130415_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1198_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1198_5	FILES/20130415_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1211_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1211_5	FILES/20130415_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1216_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1216_5	FILES/20130415_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1226_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1226_5	FILES/20130415_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1228_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1228_5	FILES/20130415_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1231_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1231_5	FILES/20130415_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1249_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1249_5	FILES/20130415_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1257_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1257_5	FILES/20130415_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1263_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1263_5	FILES/20130415_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1274_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1274_5	FILES/20130415_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1279_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1279_5	FILES/20130415_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1282_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1282_5	FILES/20130415_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1288_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1288_5	FILES/20130415_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1343_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1343_5	FILES/20130415_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1348_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1348_5	FILES/20130415_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1361_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1361_5	FILES/20130415_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1367_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1367_5	FILES/20130415_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1369_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1369_5	FILES/20130415_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130424_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130424_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130424_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130424_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130424_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130424_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130424_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130424_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130424_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130424_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130424_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130424_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130424_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130424_NP+ve_117.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0002_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0002_5	FILES/20130424_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0014_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0014_5	FILES/20130424_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0021_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0021_5	FILES/20130424_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0031_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0031_5	FILES/20130424_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0056_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0056_5	FILES/20130424_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0067_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0067_5	FILES/20130424_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0074_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0074_5	FILES/20130424_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0092_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0092_5	FILES/20130424_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0116_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0116_5	FILES/20130424_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0121_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0121_5	FILES/20130424_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0122_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0122_5	FILES/20130424_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0136_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0136_5	FILES/20130424_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0140_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0140_5	FILES/20130424_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0157_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0157_5	FILES/20130424_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0191_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0191_5	FILES/20130424_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0193_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0193_5	FILES/20130424_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0207_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0207_5	FILES/20130424_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0219_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0219_5	FILES/20130424_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0227_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0227_5	FILES/20130424_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0239_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0239_5	FILES/20130424_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0253_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0253_5	FILES/20130424_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0263_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0263_5	FILES/20130424_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0266_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0266_5	FILES/20130424_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0277_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0277_5	FILES/20130424_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0281_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0281_5	FILES/20130424_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0306_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0306_5	FILES/20130424_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0319_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0319_5	FILES/20130424_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0325_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0325_5	FILES/20130424_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0336_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0336_5	FILES/20130424_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0341_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0341_5	FILES/20130424_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0349_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0349_5	FILES/20130424_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0384_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0384_5	FILES/20130424_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0385_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0385_5	FILES/20130424_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0390_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0390_5	FILES/20130424_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0397_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0397_5	FILES/20130424_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0402_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0402_5	FILES/20130424_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0403_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0403_5	FILES/20130424_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0405_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0405_5	FILES/20130424_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0450_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0450_5	FILES/20130424_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0456_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0456_5	FILES/20130424_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0460_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0460_5	FILES/20130424_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0482_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0482_5	FILES/20130424_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0486_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0486_5	FILES/20130424_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0487_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0487_5	FILES/20130424_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0491_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0491_5	FILES/20130424_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0494_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0494_5	FILES/20130424_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0496_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0496_5	FILES/20130424_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0508_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0508_5	FILES/20130424_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0523_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0523_5	FILES/20130424_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0545_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0545_5	FILES/20130424_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0548_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0548_5	FILES/20130424_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0553_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0553_5	FILES/20130424_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0557_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0557_5	FILES/20130424_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0558_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0558_5	FILES/20130424_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0561_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0561_5	FILES/20130424_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0582_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0582_5	FILES/20130424_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0587_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0587_5	FILES/20130424_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0598_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0598_5	FILES/20130424_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0600_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0600_5	FILES/20130424_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0602_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0602_5	FILES/20130424_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0606_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0606_5	FILES/20130424_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0610_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0610_5	FILES/20130424_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0613_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0613_5	FILES/20130424_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0636_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0636_5	FILES/20130424_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0640_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0640_5	FILES/20130424_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0643_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0643_5	FILES/20130424_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0649_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0649_5	FILES/20130424_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0668_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0668_5	FILES/20130424_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0672_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0672_5	FILES/20130424_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0693_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0693_5	FILES/20130424_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0739_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0739_5	FILES/20130424_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0745_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0745_5	FILES/20130424_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0756_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0756_5	FILES/20130424_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0803_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0803_5	FILES/20130424_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0804_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0804_5	FILES/20130424_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0819_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0819_5	FILES/20130424_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0832_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0832_5	FILES/20130424_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0852_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0852_5	FILES/20130424_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0854_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0854_5	FILES/20130424_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0868_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0868_5	FILES/20130424_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0881_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0881_5	FILES/20130424_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0898_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0898_5	FILES/20130424_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0920_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0920_5	FILES/20130424_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0937_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0937_5	FILES/20130424_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0944_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0944_5	FILES/20130424_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0949_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0949_5	FILES/20130424_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0960_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0960_5	FILES/20130424_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1007_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1007_5	FILES/20130424_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1062_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1062_5	FILES/20130424_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1075_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1075_5	FILES/20130424_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1109_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1109_5	FILES/20130424_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1148_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1148_5	FILES/20130424_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1176_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1176_5	FILES/20130424_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1196_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1196_5	FILES/20130424_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1206_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1206_5	FILES/20130424_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1251_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1251_5	FILES/20130424_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1275_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1275_5	FILES/20130424_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1283_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1283_5	FILES/20130424_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1309_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1309_5	FILES/20130424_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1330_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1330_5	FILES/20130424_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1339_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1339_5	FILES/20130424_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1353_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1353_5	FILES/20130424_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1375_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1375_5	FILES/20130424_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130610_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130610_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130610_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130610_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130610_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130610_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130610_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130610_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130610_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130610_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130610_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130610_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130610_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130610_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0024_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0024_5	FILES/20130610_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0027_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0027_5	FILES/20130610_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0035_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0035_5	FILES/20130610_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0073_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0073_5	FILES/20130610_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0089_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0089_5	FILES/20130610_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0091_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0091_5	FILES/20130610_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0096_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0096_5	FILES/20130610_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0105_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0105_5	FILES/20130610_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0111_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0111_5	FILES/20130610_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0112_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0112_5	FILES/20130610_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0118_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0118_5	FILES/20130610_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0123_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0123_5	FILES/20130610_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0138_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0138_5	FILES/20130610_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0147_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0147_5	FILES/20130610_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0148_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0148_5	FILES/20130610_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0156_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0156_5	FILES/20130610_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0159_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0159_5	FILES/20130610_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0165_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0165_5	FILES/20130610_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0197_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0197_5	FILES/20130610_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0212_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0212_5	FILES/20130610_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0218_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0218_5	FILES/20130610_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0226_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0226_5	FILES/20130610_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0247_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0247_5	FILES/20130610_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0248_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0248_5	FILES/20130610_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0256_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0256_5	FILES/20130610_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0257_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0257_5	FILES/20130610_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0259_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0259_5	FILES/20130610_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0268_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0268_5	FILES/20130610_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0292_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0292_5	FILES/20130610_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0296_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0296_5	FILES/20130610_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0301_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0301_5	FILES/20130610_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0307_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0307_5	FILES/20130610_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0312_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0312_5	FILES/20130610_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0315_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0315_5	FILES/20130610_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0316_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0316_5	FILES/20130610_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0332_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0332_5	FILES/20130610_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0335_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0335_5	FILES/20130610_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0356_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0356_5	FILES/20130610_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0357_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0357_5	FILES/20130610_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0362_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0362_5	FILES/20130610_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0369_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0369_5	FILES/20130610_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0398_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0398_5	FILES/20130610_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0404_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0404_5	FILES/20130610_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0411_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0411_5	FILES/20130610_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0413_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0413_5	FILES/20130610_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0414_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0414_5	FILES/20130610_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0433_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0433_5	FILES/20130610_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0444_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0444_5	FILES/20130610_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0471_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0471_5	FILES/20130610_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0473_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0473_5	FILES/20130610_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0474_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0474_5	FILES/20130610_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0485_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0485_5	FILES/20130610_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0493_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0493_5	FILES/20130610_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0503_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0503_5	FILES/20130610_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0506_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0506_5	FILES/20130610_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0507_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0507_5	FILES/20130610_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0512_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0512_5	FILES/20130610_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0579_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0579_5	FILES/20130610_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0583_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0583_5	FILES/20130610_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0585_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0585_5	FILES/20130610_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0590_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0590_5	FILES/20130610_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0619_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0619_5	FILES/20130610_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0645_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0645_5	FILES/20130610_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0678_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0678_5	FILES/20130610_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0701_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0701_5	FILES/20130610_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0735_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0735_5	FILES/20130610_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0738_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0738_5	FILES/20130610_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0757_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0757_5	FILES/20130610_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0761_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0761_5	FILES/20130610_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0766_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0766_5	FILES/20130610_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0843_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0843_5	FILES/20130610_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0888_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0888_5	FILES/20130610_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0910_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0910_5	FILES/20130610_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0912_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0912_5	FILES/20130610_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0913_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0913_5	FILES/20130610_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0917_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0917_5	FILES/20130610_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0919_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0919_5	FILES/20130610_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0935_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0935_5	FILES/20130610_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0971_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0971_5	FILES/20130610_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0974_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0974_5	FILES/20130610_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0978_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0978_5	FILES/20130610_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1036_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1036_5	FILES/20130610_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1038_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1038_5	FILES/20130610_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1073_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1073_5	FILES/20130610_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1074_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1074_5	FILES/20130610_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1115_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1115_5	FILES/20130610_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1139_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1139_5	FILES/20130610_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1143_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1143_5	FILES/20130610_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1147_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1147_5	FILES/20130610_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1171_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1171_5	FILES/20130610_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1178_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1178_5	FILES/20130610_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1191_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1191_5	FILES/20130610_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1192_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1192_5	FILES/20130610_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1197_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1197_5	FILES/20130610_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1222_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1222_5	FILES/20130610_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1224_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1224_5	FILES/20130610_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1232_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1232_5	FILES/20130610_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1294_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1294_5	FILES/20130610_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1311_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1311_5	FILES/20130610_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1332_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1332_5	FILES/20130610_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1349_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1349_5	FILES/20130610_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130614_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130614_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130614_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130614_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130614_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130614_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130614_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130614_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130614_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130614_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130614_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130614_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130614_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130614_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0016_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0016_6	FILES/20130614_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0021_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0021_6	FILES/20130614_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0027_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0027_6	FILES/20130614_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0031_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0031_6	FILES/20130614_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0058_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0058_6	FILES/20130614_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0075_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0075_6	FILES/20130614_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0078_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0078_6	FILES/20130614_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0083_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0083_6	FILES/20130614_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0087_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0087_6	FILES/20130614_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0091_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0091_6	FILES/20130614_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0103_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0103_6	FILES/20130614_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0107_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0107_6	FILES/20130614_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0147_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0147_6	FILES/20130614_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0148_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0148_6	FILES/20130614_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0164_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0164_6	FILES/20130614_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0168_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0168_6	FILES/20130614_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0169_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0169_6	FILES/20130614_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0177_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0177_6	FILES/20130614_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0198_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0198_6	FILES/20130614_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0203_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0203_6	FILES/20130614_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0206_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0206_6	FILES/20130614_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0220_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0220_6	FILES/20130614_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0230_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0230_6	FILES/20130614_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0233_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0233_6	FILES/20130614_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0249_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0249_6	FILES/20130614_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0256_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0256_6	FILES/20130614_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0264_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0264_6	FILES/20130614_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0284_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0284_6	FILES/20130614_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0285_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0285_6	FILES/20130614_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0300_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0300_6	FILES/20130614_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0312_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0312_6	FILES/20130614_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0313_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0313_6	FILES/20130614_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0319_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0319_6	FILES/20130614_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0336_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0336_6	FILES/20130614_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0345_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0345_6	FILES/20130614_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0367_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0367_6	FILES/20130614_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0369_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0369_6	FILES/20130614_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0373_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0373_6	FILES/20130614_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0393_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0393_6	FILES/20130614_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0412_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0412_6	FILES/20130614_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0422_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0422_6	FILES/20130614_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0431_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0431_6	FILES/20130614_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0433_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0433_6	FILES/20130614_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0460_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0460_6	FILES/20130614_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0464_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0464_6	FILES/20130614_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0468_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0468_6	FILES/20130614_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0477_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0477_6	FILES/20130614_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0478_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0478_6	FILES/20130614_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0484_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0484_6	FILES/20130614_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0488_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0488_6	FILES/20130614_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0499_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0499_6	FILES/20130614_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0501_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0501_6	FILES/20130614_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0549_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0549_6	FILES/20130614_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0558_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0558_6	FILES/20130614_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0560_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0560_6	FILES/20130614_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0565_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0565_6	FILES/20130614_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0577_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0577_6	FILES/20130614_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0579_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0579_6	FILES/20130614_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0587_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0587_6	FILES/20130614_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0593_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0593_6	FILES/20130614_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0598_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0598_6	FILES/20130614_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0602_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0602_6	FILES/20130614_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0610_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0610_6	FILES/20130614_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0618_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0618_6	FILES/20130614_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0627_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0627_6	FILES/20130614_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0644_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0644_6	FILES/20130614_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0675_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0675_6	FILES/20130614_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0695_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0695_6	FILES/20130614_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0698_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0698_6	FILES/20130614_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0749_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0749_6	FILES/20130614_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0775_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0775_6	FILES/20130614_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0790_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0790_6	FILES/20130614_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0795_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0795_6	FILES/20130614_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0804_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0804_6	FILES/20130614_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0848_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0848_6	FILES/20130614_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0881_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0881_6	FILES/20130614_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0888_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0888_6	FILES/20130614_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0889_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0889_6	FILES/20130614_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0907_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0907_6	FILES/20130614_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0949_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0949_6	FILES/20130614_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0965_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0965_6	FILES/20130614_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0972_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0972_6	FILES/20130614_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0974_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0974_6	FILES/20130614_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1025_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1025_6	FILES/20130614_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1060_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1060_6	FILES/20130614_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1073_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1073_6	FILES/20130614_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1119_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1119_6	FILES/20130614_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1140_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1140_6	FILES/20130614_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1178_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1178_6	FILES/20130614_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1181_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1181_6	FILES/20130614_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1197_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1197_6	FILES/20130614_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1198_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1198_6	FILES/20130614_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1211_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1211_6	FILES/20130614_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1224_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1224_6	FILES/20130614_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1229_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1229_6	FILES/20130614_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1251_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1251_6	FILES/20130614_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1263_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1263_6	FILES/20130614_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1309_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1309_6	FILES/20130614_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1311_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1311_6	FILES/20130614_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1330_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1330_6	FILES/20130614_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1345_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1345_6	FILES/20130614_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1367_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1367_6	FILES/20130614_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130619_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130619_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130619_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130619_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130619_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130619_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130619_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130619_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130619_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130619_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130619_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130619_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130619_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130619_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0012_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0012_6	FILES/20130619_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0014_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0014_6	FILES/20130619_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0022_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0022_6	FILES/20130619_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0023_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0023_6	FILES/20130619_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0032_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0032_6	FILES/20130619_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0036_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0036_6	FILES/20130619_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0039_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0039_6	FILES/20130619_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0071_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0071_6	FILES/20130619_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0089_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0089_6	FILES/20130619_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0090_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0090_6	FILES/20130619_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0108_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0108_6	FILES/20130619_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0109_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0109_6	FILES/20130619_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0113_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0113_6	FILES/20130619_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0122_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0122_6	FILES/20130619_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0135_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0135_6	FILES/20130619_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0137_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0137_6	FILES/20130619_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0144_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0144_6	FILES/20130619_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0154_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0154_6	FILES/20130619_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0157_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0157_6	FILES/20130619_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0183_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0183_6	FILES/20130619_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0226_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0226_6	FILES/20130619_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0227_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0227_6	FILES/20130619_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0246_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0246_6	FILES/20130619_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0275_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0275_6	FILES/20130619_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0276_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0276_6	FILES/20130619_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0293_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0293_6	FILES/20130619_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0317_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0317_6	FILES/20130619_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0323_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0323_6	FILES/20130619_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0331_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0331_6	FILES/20130619_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0344_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0344_6	FILES/20130619_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0361_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0361_6	FILES/20130619_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0363_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0363_6	FILES/20130619_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0381_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0381_6	FILES/20130619_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0384_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0384_6	FILES/20130619_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0386_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0386_6	FILES/20130619_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0399_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0399_6	FILES/20130619_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0411_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0411_6	FILES/20130619_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0428_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0428_6	FILES/20130619_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0435_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0435_6	FILES/20130619_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0438_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0438_6	FILES/20130619_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0445_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0445_6	FILES/20130619_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0474_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0474_6	FILES/20130619_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0480_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0480_6	FILES/20130619_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0485_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0485_6	FILES/20130619_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0493_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0493_6	FILES/20130619_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0498_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0498_6	FILES/20130619_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0505_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0505_6	FILES/20130619_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0526_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0526_6	FILES/20130619_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0535_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0535_6	FILES/20130619_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0543_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0543_6	FILES/20130619_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0545_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0545_6	FILES/20130619_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0557_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0557_6	FILES/20130619_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0561_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0561_6	FILES/20130619_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0585_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0585_6	FILES/20130619_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0628_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0628_6	FILES/20130619_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0630_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0630_6	FILES/20130619_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0633_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0633_6	FILES/20130619_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0646_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0646_6	FILES/20130619_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0674_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0674_6	FILES/20130619_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0706_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0706_6	FILES/20130619_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0745_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0745_6	FILES/20130619_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0746_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0746_6	FILES/20130619_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0747_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0747_6	FILES/20130619_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0752_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0752_6	FILES/20130619_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0761_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0761_6	FILES/20130619_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0821_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0821_6	FILES/20130619_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0847_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0847_6	FILES/20130619_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0853_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0853_6	FILES/20130619_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0854_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0854_6	FILES/20130619_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0879_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0879_6	FILES/20130619_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0900_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0900_6	FILES/20130619_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0915_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0915_6	FILES/20130619_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0916_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0916_6	FILES/20130619_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0920_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0920_6	FILES/20130619_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0938_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0938_6	FILES/20130619_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0940_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0940_6	FILES/20130619_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0943_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0943_6	FILES/20130619_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0962_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0962_6	FILES/20130619_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0970_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0970_6	FILES/20130619_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0979_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0979_6	FILES/20130619_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1085_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1085_6	FILES/20130619_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1109_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1109_6	FILES/20130619_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1173_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1173_6	FILES/20130619_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1191_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1191_6	FILES/20130619_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1192_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1192_6	FILES/20130619_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1212_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1212_6	FILES/20130619_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1226_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1226_6	FILES/20130619_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1274_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1274_6	FILES/20130619_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1275_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1275_6	FILES/20130619_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1280_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1280_6	FILES/20130619_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1286_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1286_6	FILES/20130619_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1294_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1294_6	FILES/20130619_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1296_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1296_6	FILES/20130619_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1300_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1300_6	FILES/20130619_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1312_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1312_6	FILES/20130619_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1339_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1339_6	FILES/20130619_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1343_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1343_6	FILES/20130619_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1344_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1344_6	FILES/20130619_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1348_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1348_6	FILES/20130619_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1361_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1361_6	FILES/20130619_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1369_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1369_6	FILES/20130619_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130625_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130625_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130625_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130625_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130625_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130625_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130625_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130625_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130625_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130625_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130625_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130625_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130625_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130625_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0005_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0005_6	FILES/20130625_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0009_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0009_6	FILES/20130625_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0013_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0013_6	FILES/20130625_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0029_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0029_6	FILES/20130625_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0038_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0038_6	FILES/20130625_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0074_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0074_6	FILES/20130625_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0092_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0092_6	FILES/20130625_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0123_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0123_6	FILES/20130625_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0134_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0134_6	FILES/20130625_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0139_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0139_6	FILES/20130625_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0159_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0159_6	FILES/20130625_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0162_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0162_6	FILES/20130625_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0163_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0163_6	FILES/20130625_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0166_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0166_6	FILES/20130625_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0208_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0208_6	FILES/20130625_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0216_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0216_6	FILES/20130625_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0219_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0219_6	FILES/20130625_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0224_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0224_6	FILES/20130625_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0231_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0231_6	FILES/20130625_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0247_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0247_6	FILES/20130625_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0250_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0250_6	FILES/20130625_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0262_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0262_6	FILES/20130625_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0277_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0277_6	FILES/20130625_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0286_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0286_6	FILES/20130625_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0295_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0295_6	FILES/20130625_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0298_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0298_6	FILES/20130625_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0315_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0315_6	FILES/20130625_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0332_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0332_6	FILES/20130625_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0333_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0333_6	FILES/20130625_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0338_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0338_6	FILES/20130625_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0340_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0340_6	FILES/20130625_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0350_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0350_6	FILES/20130625_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0352_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0352_6	FILES/20130625_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0358_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0358_6	FILES/20130625_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0359_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0359_6	FILES/20130625_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0390_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0390_6	FILES/20130625_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0398_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0398_6	FILES/20130625_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0401_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0401_6	FILES/20130625_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0402_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0402_6	FILES/20130625_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0419_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0419_6	FILES/20130625_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0423_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0423_6	FILES/20130625_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0424_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0424_6	FILES/20130625_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0442_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0442_6	FILES/20130625_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0455_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0455_6	FILES/20130625_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0458_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0458_6	FILES/20130625_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0470_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0470_6	FILES/20130625_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0476_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0476_6	FILES/20130625_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0481_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0481_6	FILES/20130625_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0497_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0497_6	FILES/20130625_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0508_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0508_6	FILES/20130625_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0512_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0512_6	FILES/20130625_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0517_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0517_6	FILES/20130625_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0551_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0551_6	FILES/20130625_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0553_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0553_6	FILES/20130625_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0555_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0555_6	FILES/20130625_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0556_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0556_6	FILES/20130625_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0576_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0576_6	FILES/20130625_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0589_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0589_6	FILES/20130625_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0599_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0599_6	FILES/20130625_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0603_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0603_6	FILES/20130625_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0648_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0648_6	FILES/20130625_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0672_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0672_6	FILES/20130625_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0673_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0673_6	FILES/20130625_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0692_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0692_6	FILES/20130625_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0724_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0724_6	FILES/20130625_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0733_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0733_6	FILES/20130625_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0735_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0735_6	FILES/20130625_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0743_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0743_6	FILES/20130625_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0762_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0762_6	FILES/20130625_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0766_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0766_6	FILES/20130625_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0767_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0767_6	FILES/20130625_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0796_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0796_6	FILES/20130625_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0841_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0841_6	FILES/20130625_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0845_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0845_6	FILES/20130625_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0867_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0867_6	FILES/20130625_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0891_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0891_6	FILES/20130625_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0911_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0911_6	FILES/20130625_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0914_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0914_6	FILES/20130625_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0935_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0935_6	FILES/20130625_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0944_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0944_6	FILES/20130625_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0966_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0966_6	FILES/20130625_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0971_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0971_6	FILES/20130625_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1007_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1007_6	FILES/20130625_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1074_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1074_6	FILES/20130625_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1135_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1135_6	FILES/20130625_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1142_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1142_6	FILES/20130625_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1143_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1143_6	FILES/20130625_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1172_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1172_6	FILES/20130625_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1176_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1176_6	FILES/20130625_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1182_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1182_6	FILES/20130625_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1183_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1183_6	FILES/20130625_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1196_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1196_6	FILES/20130625_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1249_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1249_6	FILES/20130625_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1256_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1256_6	FILES/20130625_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1257_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1257_6	FILES/20130625_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1262_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1262_6	FILES/20130625_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1283_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1283_6	FILES/20130625_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1332_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1332_6	FILES/20130625_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1333_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1333_6	FILES/20130625_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1375_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1375_6	FILES/20130625_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1376_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1376_6	FILES/20130625_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130702_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130702_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130702_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130702_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130702_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130702_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130702_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130702_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130702_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130702_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130702_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130702_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130702_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130702_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0002_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0002_6	FILES/20130702_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0010_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0010_6	FILES/20130702_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0015_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0015_6	FILES/20130702_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0019_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0019_6	FILES/20130702_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0024_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0024_6	FILES/20130702_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0026_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0026_6	FILES/20130702_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0034_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0034_6	FILES/20130702_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0041_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0041_6	FILES/20130702_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0042_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0042_6	FILES/20130702_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0044_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0044_6	FILES/20130702_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0070_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0070_6	FILES/20130702_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0072_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0072_6	FILES/20130702_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0084_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0084_6	FILES/20130702_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0094_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0094_6	FILES/20130702_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0097_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0097_6	FILES/20130702_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0133_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0133_6	FILES/20130702_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0138_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0138_6	FILES/20130702_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0140_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0140_6	FILES/20130702_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0145_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0145_6	FILES/20130702_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0149_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0149_6	FILES/20130702_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0155_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0155_6	FILES/20130702_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0185_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0185_6	FILES/20130702_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0190_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0190_6	FILES/20130702_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0204_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0204_6	FILES/20130702_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0209_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0209_6	FILES/20130702_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0248_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0248_6	FILES/20130702_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0282_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0282_6	FILES/20130702_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0288_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0288_6	FILES/20130702_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0292_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0292_6	FILES/20130702_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0297_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0297_6	FILES/20130702_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0301_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0301_6	FILES/20130702_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0314_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0314_6	FILES/20130702_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0322_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0322_6	FILES/20130702_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0324_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0324_6	FILES/20130702_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0325_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0325_6	FILES/20130702_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0329_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0329_6	FILES/20130702_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0337_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0337_6	FILES/20130702_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0339_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0339_6	FILES/20130702_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0383_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0383_6	FILES/20130702_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0389_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0389_6	FILES/20130702_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0413_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0413_6	FILES/20130702_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0415_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0415_6	FILES/20130702_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0417_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0417_6	FILES/20130702_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0420_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0420_6	FILES/20130702_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0425_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0425_6	FILES/20130702_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0446_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0446_6	FILES/20130702_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0450_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0450_6	FILES/20130702_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0456_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0456_6	FILES/20130702_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0482_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0482_6	FILES/20130702_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0486_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0486_6	FILES/20130702_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0491_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0491_6	FILES/20130702_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0496_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0496_6	FILES/20130702_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0500_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0500_6	FILES/20130702_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0503_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0503_6	FILES/20130702_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0507_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0507_6	FILES/20130702_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0520_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0520_6	FILES/20130702_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0523_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0523_6	FILES/20130702_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0525_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0525_6	FILES/20130702_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0554_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0554_6	FILES/20130702_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0582_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0582_6	FILES/20130702_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0617_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0617_6	FILES/20130702_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0622_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0622_6	FILES/20130702_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0640_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0640_6	FILES/20130702_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0694_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0694_6	FILES/20130702_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0704_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0704_6	FILES/20130702_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0756_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0756_6	FILES/20130702_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0768_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0768_6	FILES/20130702_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0774_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0774_6	FILES/20130702_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0800_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0800_6	FILES/20130702_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0808_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0808_6	FILES/20130702_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0832_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0832_6	FILES/20130702_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0844_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0844_6	FILES/20130702_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0849_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0849_6	FILES/20130702_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0855_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0855_6	FILES/20130702_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0886_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0886_6	FILES/20130702_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0895_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0895_6	FILES/20130702_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0909_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0909_6	FILES/20130702_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0924_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0924_6	FILES/20130702_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0937_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0937_6	FILES/20130702_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0946_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0946_6	FILES/20130702_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0959_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0959_6	FILES/20130702_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0960_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0960_6	FILES/20130702_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0969_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0969_6	FILES/20130702_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0978_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0978_6	FILES/20130702_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0989_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0989_6	FILES/20130702_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1008_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1008_6	FILES/20130702_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1018_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1018_6	FILES/20130702_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1038_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1038_6	FILES/20130702_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1068_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1068_6	FILES/20130702_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1075_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1075_6	FILES/20130702_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1086_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1086_6	FILES/20130702_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1115_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1115_6	FILES/20130702_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1139_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1139_6	FILES/20130702_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1148_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1148_6	FILES/20130702_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1184_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1184_6	FILES/20130702_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1193_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1193_6	FILES/20130702_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1247_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1247_6	FILES/20130702_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1261_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1261_6	FILES/20130702_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1265_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1265_6	FILES/20130702_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1293_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1293_6	FILES/20130702_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1341_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1341_6	FILES/20130702_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1372_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1372_6	FILES/20130702_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130706_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130706_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130706_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130706_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130706_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130706_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130706_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130706_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130706_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130706_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130706_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130706_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130706_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130706_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0003_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0003_6	FILES/20130706_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0007_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0007_6	FILES/20130706_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0008_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0008_6	FILES/20130706_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0011_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0011_6	FILES/20130706_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0017_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0017_6	FILES/20130706_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0020_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0020_6	FILES/20130706_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0025_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0025_6	FILES/20130706_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0050_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0050_6	FILES/20130706_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0067_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0067_6	FILES/20130706_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0073_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0073_6	FILES/20130706_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0086_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0086_6	FILES/20130706_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0088_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0088_6	FILES/20130706_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0096_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0096_6	FILES/20130706_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0100_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0100_6	FILES/20130706_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0104_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0104_6	FILES/20130706_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0121_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0121_6	FILES/20130706_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0127_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0127_6	FILES/20130706_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0191_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0191_6	FILES/20130706_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0193_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0193_6	FILES/20130706_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0211_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0211_6	FILES/20130706_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0212_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0212_6	FILES/20130706_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0239_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0239_6	FILES/20130706_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0257_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0257_6	FILES/20130706_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0259_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0259_6	FILES/20130706_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0261_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0261_6	FILES/20130706_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0271_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0271_6	FILES/20130706_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0272_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0272_6	FILES/20130706_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0278_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0278_6	FILES/20130706_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0281_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0281_6	FILES/20130706_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0296_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0296_6	FILES/20130706_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0307_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0307_6	FILES/20130706_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0316_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0316_6	FILES/20130706_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0334_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0334_6	FILES/20130706_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0335_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0335_6	FILES/20130706_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0351_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0351_6	FILES/20130706_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0353_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0353_6	FILES/20130706_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0356_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0356_6	FILES/20130706_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0365_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0365_6	FILES/20130706_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0372_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0372_6	FILES/20130706_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0380_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0380_6	FILES/20130706_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0392_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0392_6	FILES/20130706_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0397_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0397_6	FILES/20130706_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0403_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0403_6	FILES/20130706_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0406_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0406_6	FILES/20130706_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0408_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0408_6	FILES/20130706_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0409_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0409_6	FILES/20130706_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0418_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0418_6	FILES/20130706_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0444_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0444_6	FILES/20130706_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0459_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0459_6	FILES/20130706_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0462_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0462_6	FILES/20130706_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0463_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0463_6	FILES/20130706_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0467_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0467_6	FILES/20130706_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0487_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0487_6	FILES/20130706_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0495_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0495_6	FILES/20130706_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0506_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0506_6	FILES/20130706_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0521_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0521_6	FILES/20130706_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0563_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0563_6	FILES/20130706_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0570_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0570_6	FILES/20130706_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0575_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0575_6	FILES/20130706_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0596_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0596_6	FILES/20130706_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0600_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0600_6	FILES/20130706_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0606_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0606_6	FILES/20130706_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0619_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0619_6	FILES/20130706_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0641_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0641_6	FILES/20130706_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0651_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0651_6	FILES/20130706_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0657_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0657_6	FILES/20130706_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0666_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0666_6	FILES/20130706_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0671_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0671_6	FILES/20130706_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0676_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0676_6	FILES/20130706_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0678_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0678_6	FILES/20130706_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0701_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0701_6	FILES/20130706_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0738_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0738_6	FILES/20130706_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0753_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0753_6	FILES/20130706_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0757_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0757_6	FILES/20130706_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0787_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0787_6	FILES/20130706_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0837_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0837_6	FILES/20130706_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0880_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0880_6	FILES/20130706_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0980_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0980_6	FILES/20130706_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0983_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0983_6	FILES/20130706_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1010_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1010_6	FILES/20130706_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1041_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1041_6	FILES/20130706_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1065_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1065_6	FILES/20130706_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1069_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1069_6	FILES/20130706_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1077_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1077_6	FILES/20130706_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1083_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1083_6	FILES/20130706_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1100_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1100_6	FILES/20130706_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1129_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1129_6	FILES/20130706_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1141_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1141_6	FILES/20130706_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1147_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1147_6	FILES/20130706_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1171_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1171_6	FILES/20130706_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1174_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1174_6	FILES/20130706_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1175_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1175_6	FILES/20130706_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1177_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1177_6	FILES/20130706_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1216_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1216_6	FILES/20130706_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1259_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1259_6	FILES/20130706_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1268_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1268_6	FILES/20130706_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1272_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1272_6	FILES/20130706_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1288_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1288_6	FILES/20130706_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1298_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1298_6	FILES/20130706_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1351_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1351_6	FILES/20130706_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130712_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130712_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130712_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130712_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130712_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130712_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130712_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130712_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130712_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130712_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130712_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130712_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130712_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130712_NP+ve_117.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0006_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0006_6	FILES/20130712_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0035_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0035_6	FILES/20130712_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0040_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0040_6	FILES/20130712_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0043_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0043_6	FILES/20130712_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0049_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0049_6	FILES/20130712_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0064_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0064_6	FILES/20130712_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0077_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0077_6	FILES/20130712_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0081_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0081_6	FILES/20130712_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0095_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0095_6	FILES/20130712_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0101_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0101_6	FILES/20130712_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0105_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0105_6	FILES/20130712_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0111_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0111_6	FILES/20130712_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0112_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0112_6	FILES/20130712_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0115_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0115_6	FILES/20130712_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0116_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0116_6	FILES/20130712_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0118_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0118_6	FILES/20130712_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0146_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0146_6	FILES/20130712_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0151_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0151_6	FILES/20130712_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0156_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0156_6	FILES/20130712_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0178_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0178_6	FILES/20130712_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0205_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0205_6	FILES/20130712_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0207_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0207_6	FILES/20130712_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0218_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0218_6	FILES/20130712_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0221_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0221_6	FILES/20130712_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0228_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0228_6	FILES/20130712_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0234_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0234_6	FILES/20130712_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0243_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0243_6	FILES/20130712_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0253_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0253_6	FILES/20130712_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0263_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0263_6	FILES/20130712_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0266_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0266_6	FILES/20130712_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0269_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0269_6	FILES/20130712_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0280_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0280_6	FILES/20130712_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0290_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0290_6	FILES/20130712_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0299_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0299_6	FILES/20130712_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0308_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0308_6	FILES/20130712_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0309_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0309_6	FILES/20130712_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0318_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0318_6	FILES/20130712_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0330_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0330_6	FILES/20130712_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0341_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0341_6	FILES/20130712_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0346_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0346_6	FILES/20130712_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0349_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0349_6	FILES/20130712_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0357_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0357_6	FILES/20130712_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0362_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0362_6	FILES/20130712_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0375_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0375_6	FILES/20130712_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0396_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0396_6	FILES/20130712_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0404_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0404_6	FILES/20130712_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0410_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0410_6	FILES/20130712_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0448_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0448_6	FILES/20130712_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0494_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0494_6	FILES/20130712_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0504_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0504_6	FILES/20130712_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0511_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0511_6	FILES/20130712_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0522_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0522_6	FILES/20130712_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0533_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0533_6	FILES/20130712_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0544_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0544_6	FILES/20130712_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0559_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0559_6	FILES/20130712_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0572_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0572_6	FILES/20130712_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0574_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0574_6	FILES/20130712_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0581_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0581_6	FILES/20130712_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0604_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0604_6	FILES/20130712_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0611_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0611_6	FILES/20130712_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0613_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0613_6	FILES/20130712_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0636_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0636_6	FILES/20130712_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0643_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0643_6	FILES/20130712_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0645_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0645_6	FILES/20130712_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0647_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0647_6	FILES/20130712_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0669_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0669_6	FILES/20130712_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0703_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0703_6	FILES/20130712_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0710_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0710_6	FILES/20130712_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0714_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0714_6	FILES/20130712_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0731_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0731_6	FILES/20130712_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0732_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0732_6	FILES/20130712_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0748_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0748_6	FILES/20130712_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0764_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0764_6	FILES/20130712_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0785_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0785_6	FILES/20130712_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0786_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0786_6	FILES/20130712_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0830_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0830_6	FILES/20130712_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0859_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0859_6	FILES/20130712_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0861_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0861_6	FILES/20130712_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0865_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0865_6	FILES/20130712_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0902_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0902_6	FILES/20130712_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0912_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0912_6	FILES/20130712_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0913_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0913_6	FILES/20130712_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0928_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0928_6	FILES/20130712_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0934_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0934_6	FILES/20130712_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0945_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0945_6	FILES/20130712_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1001_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1001_6	FILES/20130712_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1047_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1047_6	FILES/20130712_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1084_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1084_6	FILES/20130712_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1087_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1087_6	FILES/20130712_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1103_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1103_6	FILES/20130712_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1108_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1108_6	FILES/20130712_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1156_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1156_6	FILES/20130712_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1179_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1179_6	FILES/20130712_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1200_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1200_6	FILES/20130712_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1210_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1210_6	FILES/20130712_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1222_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1222_6	FILES/20130712_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1228_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1228_6	FILES/20130712_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1232_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1232_6	FILES/20130712_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1282_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1282_6	FILES/20130712_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1327_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1327_6	FILES/20130712_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1340_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1340_6	FILES/20130712_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1349_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1349_6	FILES/20130712_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1370_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1370_6	FILES/20130712_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130718_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130718_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130718_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130718_NP+ve_025.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130718_NP+ve_047.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130718_NP+ve_069.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130718_NP+ve_091.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130718_NP+ve_113.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130718_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130718_NP+ve_036.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130718_NP+ve_058.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130718_NP+ve_080.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130718_NP+ve_102.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130718_NP+ve_116.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0001_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0001_6	FILES/20130718_NP+ve_041.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0030_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0030_6	FILES/20130718_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0037_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0037_6	FILES/20130718_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0056_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0056_6	FILES/20130718_NP+ve_084.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0065_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0065_6	FILES/20130718_NP+ve_106.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0085_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0085_6	FILES/20130718_NP+ve_114.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0106_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0106_6	FILES/20130718_NP+ve_070.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0110_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0110_6	FILES/20130718_NP+ve_017.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0129_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0129_6	FILES/20130718_NP+ve_022.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0131_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0131_6	FILES/20130718_NP+ve_076.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0136_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0136_6	FILES/20130718_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0141_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0141_6	FILES/20130718_NP+ve_086.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0143_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0143_6	FILES/20130718_NP+ve_055.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0150_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0150_6	FILES/20130718_NP+ve_035.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0158_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0158_6	FILES/20130718_NP+ve_042.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0165_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0165_6	FILES/20130718_NP+ve_018.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0173_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0173_6	FILES/20130718_NP+ve_052.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0189_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0189_6	FILES/20130718_NP+ve_067.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0197_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0197_6	FILES/20130718_NP+ve_098.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0214_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0214_6	FILES/20130718_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0235_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0235_6	FILES/20130718_NP+ve_030.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0251_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0251_6	FILES/20130718_NP+ve_104.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0268_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0268_6	FILES/20130718_NP+ve_053.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0274_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0274_6	FILES/20130718_NP+ve_082.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0294_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0294_6	FILES/20130718_NP+ve_039.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0306_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0306_6	FILES/20130718_NP+ve_078.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0343_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0343_6	FILES/20130718_NP+ve_033.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0374_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0374_6	FILES/20130718_NP+ve_029.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0377_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0377_6	FILES/20130718_NP+ve_092.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0385_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0385_6	FILES/20130718_NP+ve_062.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0400_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0400_6	FILES/20130718_NP+ve_034.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0405_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0405_6	FILES/20130718_NP+ve_074.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0414_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0414_6	FILES/20130718_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0416_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0416_6	FILES/20130718_NP+ve_031.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0421_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0421_6	FILES/20130718_NP+ve_109.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0429_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0429_6	FILES/20130718_NP+ve_065.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0430_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0430_6	FILES/20130718_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0466_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0466_6	FILES/20130718_NP+ve_081.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0471_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0471_6	FILES/20130718_NP+ve_048.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0472_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0472_6	FILES/20130718_NP+ve_057.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0483_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0483_6	FILES/20130718_NP+ve_044.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0502_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0502_6	FILES/20130718_NP+ve_046.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0510_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0510_6	FILES/20130718_NP+ve_110.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0514_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0514_6	FILES/20130718_NP+ve_105.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0548_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0548_6	FILES/20130718_NP+ve_083.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0564_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0564_6	FILES/20130718_NP+ve_073.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0571_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0571_6	FILES/20130718_NP+ve_056.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0573_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0573_6	FILES/20130718_NP+ve_096.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0583_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0583_6	FILES/20130718_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0590_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0590_6	FILES/20130718_NP+ve_040.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0601_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0601_6	FILES/20130718_NP+ve_037.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0639_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0639_6	FILES/20130718_NP+ve_049.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0649_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0649_6	FILES/20130718_NP+ve_060.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0665_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0665_6	FILES/20130718_NP+ve_107.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0667_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0667_6	FILES/20130718_NP+ve_093.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0668_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0668_6	FILES/20130718_NP+ve_021.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0688_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0688_6	FILES/20130718_NP+ve_038.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0689_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0689_6	FILES/20130718_NP+ve_115.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0693_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0693_6	FILES/20130718_NP+ve_103.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0697_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0697_6	FILES/20130718_NP+ve_064.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0713_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0713_6	FILES/20130718_NP+ve_112.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0717_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0717_6	FILES/20130718_NP+ve_066.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0718_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0718_6	FILES/20130718_NP+ve_108.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0719_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0719_6	FILES/20130718_NP+ve_089.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0739_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0739_6	FILES/20130718_NP+ve_095.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0765_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0765_6	FILES/20130718_NP+ve_085.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0778_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0778_6	FILES/20130718_NP+ve_061.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0803_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0803_6	FILES/20130718_NP+ve_045.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0819_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0819_6	FILES/20130718_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0833_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0833_6	FILES/20130718_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0843_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0843_6	FILES/20130718_NP+ve_077.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0850_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0850_6	FILES/20130718_NP+ve_090.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0852_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0852_6	FILES/20130718_NP+ve_059.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0857_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0857_6	FILES/20130718_NP+ve_094.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0866_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0866_6	FILES/20130718_NP+ve_027.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0868_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0868_6	FILES/20130718_NP+ve_100.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0898_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0898_6	FILES/20130718_NP+ve_099.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0910_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0910_6	FILES/20130718_NP+ve_023.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0917_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0917_6	FILES/20130718_NP+ve_097.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0919_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0919_6	FILES/20130718_NP+ve_019.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0964_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0964_6	FILES/20130718_NP+ve_026.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0977_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0977_6	FILES/20130718_NP+ve_111.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0982_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0982_6	FILES/20130718_NP+ve_032.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0986_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0986_6	FILES/20130718_NP+ve_068.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0990_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0990_6	FILES/20130718_NP+ve_043.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0994_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0994_6	FILES/20130718_NP+ve_020.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1017_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1017_6	FILES/20130718_NP+ve_050.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1036_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1036_6	FILES/20130718_NP+ve_072.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1062_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1062_6	FILES/20130718_NP+ve_063.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1080_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1080_6	FILES/20130718_NP+ve_071.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1102_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1102_6	FILES/20130718_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1132_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1132_6	FILES/20130718_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1168_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1168_6	FILES/20130718_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1194_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1194_6	FILES/20130718_NP+ve_051.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1206_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1206_6	FILES/20130718_NP+ve_079.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1220_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1220_6	FILES/20130718_NP+ve_028.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1231_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1231_6	FILES/20130718_NP+ve_087.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1235_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1235_6	FILES/20130718_NP+ve_024.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1240_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1240_6	FILES/20130718_NP+ve_075.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1273_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1273_6	FILES/20130718_NP+ve_088.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1287_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1287_6	FILES/20130718_NP+ve_054.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1353_6	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1353_6	FILES/20130718_NP+ve_101.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130726_NP+ve_001.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
blank	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	blank	FILES/20130726_NP+ve_002.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130726_NP+ve_003.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 1	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 1	FILES/20130726_NP+ve_016.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
Control 2	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Control 2	FILES/20130726_NP+ve_014.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0036_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0036_5	FILES/20130726_NP+ve_006.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0090_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0090_5	FILES/20130726_NP+ve_013.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0204_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0204_5	FILES/20130726_NP+ve_011.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0380_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0380_5	FILES/20130726_NP+ve_007.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0408_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0408_5	FILES/20130726_NP+ve_005.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0480_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0480_5	FILES/20130726_NP+ve_012.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0694_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0694_5	FILES/20130726_NP+ve_004.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0724_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0724_5	FILES/20130726_NP+ve_008.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0865_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0865_5	FILES/20130726_NP+ve_010.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG0990_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG0990_5	FILES/20130726_NP+ve_009.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
PG1173_5	Extraction	50 mg, 1 ml of damp chloroform:methanol:water (64.6:33.4:2.0, v/v)	none		Chromatography	Thermo Scientific Accela 1250 Pump			CTC Analytics HTC PAL Autosampler			Betasil C1 (5 µm, 2.1 mm x 50 mm; Thermo Scientific)	reverse phase					Mass spectrometry	negative	200-2000	Thermo Scientific Q Exactive			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	PG1173_5	FILES/20130726_NP+ve_015.raw	Data transformation			Metabolite identification		m_MTBLS66_metabolite_profiling_mass_spectrometry_v2_maf.tsv
