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]	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
Standard mix3_1	Extraction	chloroform/methanol 1:1 (v/v)			Chromatography	Waters ACQUITY UPLC system			ACQUITY UPLC BEH C18 (1.7 μm, 2.1 mm x 150 mm; Waters)	reverse phase					Mass spectrometry	negative	200-1000	Waters Synapt G1 HDMS System			electrospray ionization	MS		quadrupole time-of-flight			QTOF_SYNAPTG1_pos_Exp3_1to1_01	FILES/QTOF_SYNAPTG1_pos_Exp3_1to1_01.zip	Data transformation		FILES/QTOF_SYNAPTG1_pos_Exp3_Evaluation.zip	Metabolite identification		m_MTBLS398_exp3_SYNAPT_P1-1_mass_spectrometry_v2_maf.tsv
Standard mix3_1	Extraction	chloroform/methanol 1:1 (v/v)			Chromatography	Waters ACQUITY UPLC system			ACQUITY UPLC BEH C18 (1.7 μm, 2.1 mm x 150 mm; Waters)	reverse phase					Mass spectrometry	negative	200-1000	Waters Synapt G1 HDMS System			electrospray ionization	MS		quadrupole time-of-flight			QTOF_SYNAPTG1_pos_Exp3_1to1_02	FILES/QTOF_SYNAPTG1_pos_Exp3_1to1_02.zip	Data transformation		FILES/QTOF_SYNAPTG1_pos_Exp3_Evaluation.zip	Metabolite identification		m_MTBLS398_exp3_SYNAPT_P1-1_mass_spectrometry_v2_maf.tsv
Standard mix3_1	Extraction	chloroform/methanol 1:1 (v/v)			Chromatography	Waters ACQUITY UPLC system			ACQUITY UPLC BEH C18 (1.7 μm, 2.1 mm x 150 mm; Waters)	reverse phase					Mass spectrometry	negative	200-1000	Waters Synapt G1 HDMS System			electrospray ionization	MS		quadrupole time-of-flight			QTOF_SYNAPTG1_pos_Exp3_1to1_03	FILES/QTOF_SYNAPTG1_pos_Exp3_1to1_03.zip	Data transformation		FILES/QTOF_SYNAPTG1_pos_Exp3_Evaluation.zip	Metabolite identification		m_MTBLS398_exp3_SYNAPT_P1-1_mass_spectrometry_v2_maf.tsv
Standard mix3_1	Extraction	chloroform/methanol 1:1 (v/v)			Chromatography	Waters ACQUITY UPLC system			ACQUITY UPLC BEH C18 (1.7 μm, 2.1 mm x 150 mm; Waters)	reverse phase					Mass spectrometry	negative	200-1000	Waters Synapt G1 HDMS System			electrospray ionization	MS		quadrupole time-of-flight			QTOF_SYNAPTG1_pos_Exp3_1to1_04	FILES/QTOF_SYNAPTG1_pos_Exp3_1to1_04.zip	Data transformation		FILES/QTOF_SYNAPTG1_pos_Exp3_Evaluation.zip	Metabolite identification		m_MTBLS398_exp3_SYNAPT_P1-1_mass_spectrometry_v2_maf.tsv
Standard mix3_1	Extraction	chloroform/methanol 1:1 (v/v)			Chromatography	Waters ACQUITY UPLC system			ACQUITY UPLC BEH C18 (1.7 μm, 2.1 mm x 150 mm; Waters)	reverse phase					Mass spectrometry	negative	200-1000	Waters Synapt G1 HDMS System			electrospray ionization	MS		quadrupole time-of-flight			QTOF_SYNAPTG1_pos_Exp3_1to1_05	FILES/QTOF_SYNAPTG1_pos_Exp3_1to1_05.zip	Data transformation		FILES/QTOF_SYNAPTG1_pos_Exp3_Evaluation.zip	Metabolite identification		m_MTBLS398_exp3_SYNAPT_P1-1_mass_spectrometry_v2_maf.tsv
