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
SW1116	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1257	FILES/LIFT_A20_1257.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
DLD-1	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1419	FILES/LIFT_A2_1419.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
LS174T_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1444	FILES/LIFT_1444_D5.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
DLD-1	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1581	FILES/LIFT_A2_1581.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
LS174T_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1617	FILES/LIFT_1617_D6.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
CaCo2	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1622	FILES/LIFT_1622_E6.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
HCT116	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1663	FILES/LIFT_1663_C17.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
LOVO	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1688	FILES/LIFT_B11_1688.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
RKO_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1743	FILES/LIFT_C11_1743.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
SW948_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1752	FILES/LIFT_1752_B14.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
SW1116	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1809	FILES/LIFT_D12_1809.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
HCT15_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1825	FILES/LIFT_1825_G3.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
HT29	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1850	FILES/LIFT_1850_C12.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
HCT116	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1866	FILES/LIFT_1866_B1.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
RKO_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1905	FILES/LIFT_C11_1905.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
LOVO	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1955	FILES/LIFT_C2_1955.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
HCT116	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1982	FILES/LIFT_1982J1.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
SW1116	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_1996	FILES/LIFT_C13_1996.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
Colo205_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2012	FILES/LIFT_2012_A12.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
HT29_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2067	FILES/LIFT_C3_2067.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
SW480	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2158	FILES/LIFT_C24_2158.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
SW1463	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2215	FILES/LIFT_C8_2215.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
HCT116	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2255	FILES/LIFT_2255_B2.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
HT29_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2304	FILES/LIFT_A19_2304.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
CaCo2	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2331	FILES/LIFT_2331_C5.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
HT29	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2393	FILES/LIFT_2393_C19.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
KM12_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2494	FILES/LIFT_A13_2494.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
KM12_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2494	FILES/LIFT_A18_2494.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
HT29	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2523	FILES/LIFT_C7_2523.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
LOVO	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2540	FILES/LIFT_A16_2540.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
LS174T_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2639	FILES/LIFT_2639_E19.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
LS174T_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2639	FILES/LIFT_2639_E20.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
HCT8	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2670	FILES/LIFT_A19_2670.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
SW48	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2685	FILES/LIFT_C4_2685.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
SW48	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2685	FILES/LIFT_C9_2685.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
SW480_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2712	FILES/LIFT_2712_L3.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
Colo320_VUmc	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2860	FILES/LIFT_A18_2860.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
SW480	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_2889	FILES/LIFT_A17_2889.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
SW480	Extraction	water milli-Q	other		Chromatography							ethyl esterification			Mass spectrometry	positive	100-3100	Bruker ultrafleXtreme	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000551	matrix-assisted laser desorption ionization	MS	http://purl.obolibrary.org/obo/MS_1000075	time-of-flight	MS	http://purl.obolibrary.org/obo/MS_1000084	LIFT_3036	FILES/LIFT_A17_3036.raw	Data transformation			Metabolite identification		m_MTBLS227_Assay2-LIFT_v2_maf.tsv
