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[Column model 1]	Parameter Value[Column type 1]	Parameter Value[Column model 2]	Parameter Value[Column type 2]	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
SW620	Extraction	water milli-Q	other	SW620-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A03-1 SW620_01		Data transformation	37382-A03-1 SW620_01	FILES/37382-A03-1 SW620_01.mzML	Metabolite identification	37382-A03-1 SW620_01	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
CaCo2	Extraction	water milli-Q	other	CaCo2-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A04-2 CaCo2_01		Data transformation	37382-A04-2 CaCo2_01	FILES/37382-A04-2 CaCo2_01.mzML	Metabolite identification	37382-A04-2 CaCo2_01	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
CaCo2	Extraction	water milli-Q	other	CaCo2-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A04-2 CaCo2_02 MS2		Data transformation	37382-A04-2 CaCo2_02 MS2	FILES/37382-A04-2 CaCo2_02 MS2.mzML	Metabolite identification	37382-A04-2 CaCo2_02 MS2	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
CaCo2	Extraction	water milli-Q	other	CaCo2-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A04-2 CaCo2_03 MS2		Data transformation	37382-A04-2 CaCo2_03 MS2	FILES/37382-A04-2 CaCo2_03 MS2.mzML	Metabolite identification	37382-A04-2 CaCo2_03 MS2	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
CaCo2	Extraction	water milli-Q	other	CaCo2-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A04-2 CaCo2_04 MS2		Data transformation	37382-A04-2 CaCo2_04 MS2	FILES/37382-A04-2 CaCo2_04 MS2.mzML	Metabolite identification	37382-A04-2 CaCo2_04 MS2	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
CaCo2	Extraction	water milli-Q	other	CaCo2-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A04-2 CaCo2_05 MS3		Data transformation	37382-A04-2 CaCo2_05 MS3	FILES/37382-A04-2 CaCo2_05 MS3 interrupted after 20min.mzML	Metabolite identification	37382-A04-2 CaCo2_05 MS3	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
SW1116	Extraction	water milli-Q	other	SW1116-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A06-1 SW1116_01		Data transformation	37382-A06-1 SW1116_01	FILES/37382-A06-1 SW1116_01.mzML	Metabolite identification	37382-A06-1 SW1116_01	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
SW1116	Extraction	water milli-Q	other	SW1116-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A06-1 SW1116_02 MS2		Data transformation	37382-A06-1 SW1116_02 MS2	FILES/37382-A06-1 SW1116_02 MS2.mzML	Metabolite identification	37382-A06-1 SW1116_02 MS2	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
SW1116	Extraction	water milli-Q	other	SW1116-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A06-1 SW1116_04 MS2		Data transformation	37382-A06-1 SW1116_04 MS2	FILES/37382-A06-1 SW1116_04 MS2.mzML	Metabolite identification	37382-A06-1 SW1116_04 MS2	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
Colo205_VUmc	Extraction	water milli-Q	other	Colo205_VUmc-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A06-2 Colo205_VUmc_01		Data transformation	37382-A06-2 Colo205_VUmc_01	FILES/37382-A06-2 Colo205_VUmc_01.mzML	Metabolite identification	37382-A06-2 Colo205_VUmc_01	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
RKO_VUmc	Extraction	water milli-Q	other	RKO_VUmc-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A08-2 RKO_VUmc_01		Data transformation	37382-A08-2 RKO_VUmc_01	FILES/37382-A08-2 RKO_VUmc_01.mzML	Metabolite identification	37382-A08-2 RKO_VUmc_01	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
RKO_VUmc	Extraction	water milli-Q	other	RKO_VUmc-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A08-2 RKO_VUmc_02 MS2		Data transformation	37382-A08-2 RKO_VUmc_02 MS2	FILES/37382-A08-2 RKO_VUmc_02 MS2.mzML	Metabolite identification	37382-A08-2 RKO_VUmc_02 MS2	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
SW480	Extraction	water milli-Q	other	SW480-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A09-1 SW480_01		Data transformation	37382-A09-1 SW480_01	FILES/37382-A09-1 SW480_01.mzML	Metabolite identification	37382-A09-1 SW480_01	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
SW480	Extraction	water milli-Q	other	SW480-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A09-1 SW480_02 MS2		Data transformation	37382-A09-1 SW480_02 MS2	FILES/37382-A09-1 SW480_02 MS2.mzML	Metabolite identification	37382-A09-1 SW480_02 MS2	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
HCT8	Extraction	water milli-Q	other	HCT8-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A10-1 HCT8_01		Data transformation	37382-A10-1 HCT8_01	FILES/37382-A10-1 HCT8_01.mzML	Metabolite identification	37382-A10-1 HCT8_01	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
HCT8	Extraction	water milli-Q	other	HCT8-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A10-1 HCT8_02 MS2		Data transformation	37382-A10-1 HCT8_02 MS2	FILES/37382-A10-1 HCT8_02 MS2.mzML	Metabolite identification	37382-A10-1 HCT8_02 MS2	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
WiDr	Extraction	water milli-Q	other	WiDr-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A12-1 WiDr_01		Data transformation	37382-A12-1 WiDr_01	FILES/37382-A12-1 WiDr_01.mzML	Metabolite identification	37382-A12-1 WiDr_01	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
WiDr	Extraction	water milli-Q	other	WiDr-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-A12-1 WiDr_02 MS2		Data transformation	37382-A12-1 WiDr_02 MS2	FILES/37382-A12-1 WiDr_02 MS2.mzML	Metabolite identification	37382-A12-1 WiDr_02 MS2	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
HT29	Extraction	water milli-Q	other	HT29-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-B04-1 HT29_01		Data transformation	37382-B04-1 HT29_01	FILES/37382-B04-1 HT29_01.mzML	Metabolite identification	37382-B04-1 HT29_01	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
HT29	Extraction	water milli-Q	other	HT29-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-B04-1 HT29_02 MS2		Data transformation	37382-B04-1 HT29_02 MS2	FILES/37382-B04-1 HT29_02 MS2.mzML	Metabolite identification	37382-B04-1 HT29_02 MS2	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
LOVO	Extraction	water milli-Q	other	LOVO-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-B08-1 LOVO_01		Data transformation	37382-B08-1 LOVO_01	FILES/37382-B08-1 LOVO_01.mzML	Metabolite identification	37382-B08-1 LOVO_01	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
LOVO	Extraction	water milli-Q	other	LOVO-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-B08-1 LOVO_02 MS2		Data transformation	37382-B08-1 LOVO_02 MS2	FILES/37382-B08-1 LOVO_02 MS2.mzML	Metabolite identification	37382-B08-1 LOVO_02 MS2	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
SW48	Extraction	water milli-Q	other	SW48-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-B12-1 SW48_01		Data transformation	37382-B12-1 SW48_01	FILES/37382-B12-1 SW48_01.mzML	Metabolite identification	37382-B12-1 SW48_01	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
SW48	Extraction	water milli-Q	other	SW48-LC-MS/MS	Chromatography	Thermo Scientific Dionex UltiMate 3000 RSLCnano System	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000860	Acclaim PepMap100 C18 100 Å (5 µm, 0.1 mm × 20 mm; Thermo Scientific)	reverse phase	Acclaim PepMap RSLC C18 100 Å (2 µm, 0.075 mm × 150 mm; Thermo Scientific)	reverse phase		2-AA			Mass spectrometry	positive	100-3000	Bruker CaptiveSpray nanoBooster and amaZon speed	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000623	electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	ion trap	MS	http://purl.obolibrary.org/obo/MS_1000264	37382-B12-1 SW48_02 MS2		Data transformation	37382-B12-1 SW48_02 MS2	FILES/37382-B12-1 SW48_02 MS2.mzML	Metabolite identification	37382-B12-1 SW48_02 MS2	m_MTBLS227_Assay3-LC-MSMS_v2_maf.tsv
