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	Thermo Scientific Dionex UltiMate 3000 XRS System			ACQUITY UPLC BEH C8 (1.7 µm, 1 mm x 100 mm; Waters)	reverse phase					Mass spectrometry	negative	400-1000	Thermo Scientific Orbitrap Velos Pro			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Orbitrap_velos_CID_pos_Exp3_1to1_002	FILES/Orbitrap_velos_CID_pos_Exp3_1to1_002.zip	Data transformation		FILES/Orbitrap_velos_CID_pos_Exp3_Evaluation.zip	Metabolite identification		m_MTBLS398_exp3_OrbCID_P1-1_mass_spectrometry_v2_maf.tsv
Standard mix3_1	Extraction	chloroform/methanol 1:1 (v/v)			Chromatography	Thermo Scientific Dionex UltiMate 3000 XRS System			ACQUITY UPLC BEH C8 (1.7 µm, 1 mm x 100 mm; Waters)	reverse phase					Mass spectrometry	negative	400-1000	Thermo Scientific Orbitrap Velos Pro			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Orbitrap_velos_CID_pos_Exp3_1to1_003	FILES/Orbitrap_velos_CID_pos_Exp3_1to1_003.zip	Data transformation		FILES/Orbitrap_velos_CID_pos_Exp3_Evaluation.zip	Metabolite identification		m_MTBLS398_exp3_OrbCID_P1-1_mass_spectrometry_v2_maf.tsv
Standard mix3_1	Extraction	chloroform/methanol 1:1 (v/v)			Chromatography	Thermo Scientific Dionex UltiMate 3000 XRS System			ACQUITY UPLC BEH C8 (1.7 µm, 1 mm x 100 mm; Waters)	reverse phase					Mass spectrometry	negative	400-1000	Thermo Scientific Orbitrap Velos Pro			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Orbitrap_velos_CID_pos_Exp3_1to1_004	FILES/Orbitrap_velos_CID_pos_Exp3_1to1_004.zip	Data transformation		FILES/Orbitrap_velos_CID_pos_Exp3_Evaluation.zip	Metabolite identification		m_MTBLS398_exp3_OrbCID_P1-1_mass_spectrometry_v2_maf.tsv
Standard mix3_1	Extraction	chloroform/methanol 1:1 (v/v)			Chromatography	Thermo Scientific Dionex UltiMate 3000 XRS System			ACQUITY UPLC BEH C8 (1.7 µm, 1 mm x 100 mm; Waters)	reverse phase					Mass spectrometry	negative	400-1000	Thermo Scientific Orbitrap Velos Pro			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Orbitrap_velos_CID_pos_Exp3_1to1_005	FILES/Orbitrap_velos_CID_pos_Exp3_1to1_005.zip	Data transformation		FILES/Orbitrap_velos_CID_pos_Exp3_Evaluation.zip	Metabolite identification		m_MTBLS398_exp3_OrbCID_P1-1_mass_spectrometry_v2_maf.tsv
Standard mix3_1	Extraction	chloroform/methanol 1:1 (v/v)			Chromatography	Thermo Scientific Dionex UltiMate 3000 XRS System			ACQUITY UPLC BEH C8 (1.7 µm, 1 mm x 100 mm; Waters)	reverse phase					Mass spectrometry	negative	400-1000	Thermo Scientific Orbitrap Velos Pro			electrospray ionization	MS		orbitrap	MS	http://purl.obolibrary.org/obo/MS_1000484	Orbitrap_velos_CID_pos_Exp3_1to1_006	FILES/Orbitrap_velos_CID_pos_Exp3_1to1_006.zip	Data transformation		FILES/Orbitrap_velos_CID_pos_Exp3_Evaluation.zip	Metabolite identification		m_MTBLS398_exp3_OrbCID_P1-1_mass_spectrometry_v2_maf.tsv
