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]	Parameter Value[Guard column]	Term Source REF	Term Accession Number	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
smp 22	Extraction	chilled methanol (-20 °C)		smp 22	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 22	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_53_0_1_1_00_1019718234.raw	Data transformation	smp 22		Metabolite identification	smp 22	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 372	Extraction	chilled methanol (-20 °C)		smp 372	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 372	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_65_0_1_1_00_1019718249.raw	Data transformation	smp 372		Metabolite identification	smp 372	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 362	Extraction	chilled methanol (-20 °C)		smp 362	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 362	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_41_0_1_1_00_1019718220.raw	Data transformation	smp 362		Metabolite identification	smp 362	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 30_21	Extraction	chilled methanol (-20 °C)		PND 30_21	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 30_21	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_83_0_1_1_00_1015505966.raw	Data transformation	PND 30_21		Metabolite identification	PND 30_21	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 30_31	Extraction	chilled methanol (-20 °C)		PND 30_31	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 30_31	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_95_0_1_1_00_1015505971.raw	Data transformation	PND 30_31		Metabolite identification	PND 30_31	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 30_361	Extraction	chilled methanol (-20 °C)		PND 30_361	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 30_361	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_12_0_1_1_00_1015505985.raw	Data transformation	PND 30_361		Metabolite identification	PND 30_361	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 30_371	Extraction	chilled methanol (-20 °C)		PND 30_371	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 30_371	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_24_0_1_1_00_1015505990.raw	Data transformation	PND 30_371		Metabolite identification	PND 30_371	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 52	Extraction	chilled methanol (-20 °C)		smp 52	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 52	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_96_0_1_1_00_1019718821.raw	Data transformation	smp 52		Metabolite identification	smp 52	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 391	Extraction	chilled methanol (-20 °C)		smp 391	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 391	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_77_0_1_1_00_1019718253.raw	Data transformation	smp 391		Metabolite identification	smp 391	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 402	Extraction	chilled methanol (-20 °C)		smp 402	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 402	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_89_0_1_1_00_1019718268.raw	Data transformation	smp 402		Metabolite identification	smp 402	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 30_51	Extraction	chilled methanol (-20 °C)		PND 30_51	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 30_51	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_36_0_1_1_00_1015506001.raw	Data transformation	PND 30_51		Metabolite identification	PND 30_51	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 30_61	Extraction	chilled methanol (-20 °C)		PND 30_61	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 30_61	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_48_0_1_1_00_1015506016.raw	Data transformation	PND 30_61		Metabolite identification	PND 30_61	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 30_401	Extraction	chilled methanol (-20 °C)		PND 30_401	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 30_401	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_60_0_1_1_00_1015506021.raw	Data transformation	PND 30_401		Metabolite identification	PND 30_401	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 30_403	Extraction	chilled methanol (-20 °C)		PND 30_403	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 30_403	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_72_0_1_1_00_1015506035.raw	Data transformation	PND 30_403		Metabolite identification	PND 30_403	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 82	Extraction	chilled methanol (-20 °C)		smp 82	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 82	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_30_0_1_1_00_1019718291.raw	Data transformation	smp 82		Metabolite identification	smp 82	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 422	Extraction	chilled methanol (-20 °C)		smp 422	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 422	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_78_0_1_1_00_1019718336.raw	Data transformation	smp 422		Metabolite identification	smp 422	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 72	Extraction	chilled methanol (-20 °C)		smp 72	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 72	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_18_0_1_1_00_1019718287.raw	Data transformation	smp 72		Metabolite identification	smp 72	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 90_71	Extraction	chilled methanol (-20 °C)		PND 90_71	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 90_71	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_77_0_1_1_00_1015505486.raw	Data transformation	PND 90_71		Metabolite identification	PND 90_71	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 90_81	Extraction	chilled methanol (-20 °C)		PND 90_81	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 90_81	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_89_0_1_1_00_1015505491.raw	Data transformation	PND 90_81		Metabolite identification	PND 90_81	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 90_411	Extraction	chilled methanol (-20 °C)		PND 90_411	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 90_411	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_06_0_1_1_00_1015505501.raw	Data transformation	PND 90_411		Metabolite identification	PND 90_411	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 90_421	Extraction	chilled methanol (-20 °C)		PND 90_421	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 90_421	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_18_0_1_1_00_1015505516.raw	Data transformation	PND 90_421		Metabolite identification	PND 90_421	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 101	Extraction	chilled methanol (-20 °C)		smp 101	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 101	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_54_0_1_1_00_1019718317.raw	Data transformation	smp 101		Metabolite identification	smp 101	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 91	Extraction	chilled methanol (-20 °C)		smp 91	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 91	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_42_0_1_1_00_1019718302.raw	Data transformation	smp 91		Metabolite identification	smp 91	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 431	Extraction	chilled methanol (-20 °C)		smp 431	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 431	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_06_0_1_1_00_1019718272.raw	Data transformation	smp 431		Metabolite identification	smp 431	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 90_92	Extraction	chilled methanol (-20 °C)		PND 90_92	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 90_92	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_30_0_1_1_00_1015505521.raw	Data transformation	PND 90_92		Metabolite identification	PND 90_92	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 90_432	Extraction	chilled methanol (-20 °C)		PND 90_432	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 90_432	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_42_0_1_1_00_1015505535.raw	Data transformation	PND 90_432		Metabolite identification	PND 90_432	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 90_441	Extraction	chilled methanol (-20 °C)		PND 90_441	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 90_441	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_54_0_1_1_00_1015505540.raw	Data transformation	PND 90_441		Metabolite identification	PND 90_441	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 90_442	Extraction	chilled methanol (-20 °C)		PND 90_442	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 90_442	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_66_0_1_1_00_1015505554.raw	Data transformation	PND 90_442		Metabolite identification	PND 90_442	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 452	Extraction	chilled methanol (-20 °C)		smp 452	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 452	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_91_0_1_1_00_1019718423.raw	Data transformation	smp 452		Metabolite identification	smp 452	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 451	Extraction	chilled methanol (-20 °C)		smp 451	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 451	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_79_0_1_1_00_1019718419.raw	Data transformation	smp 451		Metabolite identification	smp 451	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 111	Extraction	chilled methanol (-20 °C)		smp 111	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 111	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_90_0_1_1_00_1019718341.raw	Data transformation	smp 111		Metabolite identification	smp 111	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 122	Extraction	chilled methanol (-20 °C)		smp 122	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 122	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_07_0_1_1_00_1019718355.raw	Data transformation	smp 122		Metabolite identification	smp 122	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_112	Extraction	chilled methanol (-20 °C)		PND 100_112	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_112	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_78_0_1_1_00_1015505569.raw	Data transformation	PND 100_112		Metabolite identification	PND 100_112	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_121	Extraction	chilled methanol (-20 °C)		PND 100_121	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_121	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_90_0_1_1_00_1015505573.raw	Data transformation	PND 100_121		Metabolite identification	PND 100_121	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_461	Extraction	chilled methanol (-20 °C)		PND 100_461	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_461	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_07_0_1_1_00_1015505588.raw	Data transformation	PND 100_461		Metabolite identification	PND 100_461	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_462	Extraction	chilled methanol (-20 °C)		PND 100_462	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_462	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_19_0_1_1_00_1015505592.raw	Data transformation	PND 100_462		Metabolite identification	PND 100_462	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 472	Extraction	chilled methanol (-20 °C)		smp 472	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 472	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_08_0_1_1_00_1019718438.raw	Data transformation	smp 472		Metabolite identification	smp 472	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 482	Extraction	chilled methanol (-20 °C)		smp 482	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 482	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_44_0_1_1_00_1019718461.raw	Data transformation	smp 482		Metabolite identification	smp 482	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 131	Extraction	chilled methanol (-20 °C)		smp 131	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 131	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_19_0_1_1_00_1019718360.raw	Data transformation	smp 131		Metabolite identification	smp 131	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_132	Extraction	chilled methanol (-20 °C)		PND 100_132	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_132	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_31_0_1_1_00_1015505603.raw	Data transformation	PND 100_132		Metabolite identification	PND 100_132	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_141	Extraction	chilled methanol (-20 °C)		PND 100_141	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_141	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_43_0_1_1_00_1015505618.raw	Data transformation	PND 100_141		Metabolite identification	PND 100_141	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_471	Extraction	chilled methanol (-20 °C)		PND 100_471	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_471	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_55_0_1_1_00_1015505622.raw	Data transformation	PND 100_471		Metabolite identification	PND 100_471	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_481	Extraction	chilled methanol (-20 °C)		PND 100_481	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_481	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_67_0_1_1_00_1015505637.raw	Data transformation	PND 100_481		Metabolite identification	PND 100_481	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 491	Extraction	chilled methanol (-20 °C)		smp 491	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 491	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_20_0_1_1_00_1019718442.raw	Data transformation	smp 491		Metabolite identification	smp 491	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 502	Extraction	chilled methanol (-20 °C)		smp 502	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 502	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_56_0_1_1_00_1019718476.raw	Data transformation	smp 502		Metabolite identification	smp 502	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 151	Extraction	chilled methanol (-20 °C)		smp 151	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 151	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_31_0_1_1_00_1019718374.raw	Data transformation	smp 151		Metabolite identification	smp 151	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 152	Extraction	chilled methanol (-20 °C)		smp 152	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 152	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_43_0_1_1_00_1019718389.raw	Data transformation	smp 152		Metabolite identification	smp 152	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_161	Extraction	chilled methanol (-20 °C)		PND 100_161	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_161	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_79_0_1_1_00_1015505641.raw	Data transformation	PND 100_161		Metabolite identification	PND 100_161	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_162	Extraction	chilled methanol (-20 °C)		PND 100_162	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_162	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_91_0_1_1_00_1015505656.raw	Data transformation	PND 100_162		Metabolite identification	PND 100_162	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_492	Extraction	chilled methanol (-20 °C)		PND 100_492	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_492	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_08_0_1_1_00_1015505661.raw	Data transformation	PND 100_492		Metabolite identification	PND 100_492	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_501	Extraction	chilled methanol (-20 °C)		PND 100_501	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_501	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_20_0_1_1_00_1015505675.raw	Data transformation	PND 100_501		Metabolite identification	PND 100_501	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 511	Extraction	chilled methanol (-20 °C)		smp 511	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 511	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_32_0_1_1_00_1019718457.raw	Data transformation	smp 511		Metabolite identification	smp 511	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 181	Extraction	chilled methanol (-20 °C)		smp 181	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 181	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_55_0_1_1_00_1019718393.raw	Data transformation	smp 181		Metabolite identification	smp 181	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 172	Extraction	chilled methanol (-20 °C)		smp 172	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 172	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_67_0_1_1_00_1019718404.raw	Data transformation	smp 172		Metabolite identification	smp 172	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 522	Extraction	chilled methanol (-20 °C)		smp 522	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 522	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_68_0_1_1_00_1019718481.raw	Data transformation	smp 522		Metabolite identification	smp 522	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_171	Extraction	chilled methanol (-20 °C)		PND 100_171	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_171	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_32_0_1_1_00_1015505680.raw	Data transformation	PND 100_171		Metabolite identification	PND 100_171	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_182	Extraction	chilled methanol (-20 °C)		PND 100_182	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_182	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_44_0_1_1_00_1015505694.raw	Data transformation	PND 100_182		Metabolite identification	PND 100_182	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_512	Extraction	chilled methanol (-20 °C)		PND 100_512	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_512	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_56_0_1_1_00_1015505705.raw	Data transformation	PND 100_512		Metabolite identification	PND 100_512	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 100_521	Extraction	chilled methanol (-20 °C)		PND 100_521	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 100_521	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_68_0_1_1_00_1015505710.raw	Data transformation	PND 100_521		Metabolite identification	PND 100_521	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 531	Extraction	chilled methanol (-20 °C)		smp 531	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 531	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_21_0_1_1_00_1019718525.raw	Data transformation	smp 531		Metabolite identification	smp 531	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 541	Extraction	chilled methanol (-20 °C)		smp 541	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 541	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_10_0_1_1_00_1019718597.raw	Data transformation	smp 541		Metabolite identification	smp 541	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 542	Extraction	chilled methanol (-20 °C)		smp 542	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 542	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_22_0_1_1_00_1019718608.raw	Data transformation	smp 542		Metabolite identification	smp 542	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 202	Extraction	chilled methanol (-20 °C)		smp 202	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 202	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_92_0_1_1_00_1019718506.raw	Data transformation	smp 202		Metabolite identification	smp 202	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 532	Extraction	chilled methanol (-20 °C)		smp 532	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 532	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_58_0_1_1_00_1019718631.raw	Data transformation	smp 532		Metabolite identification	smp 532	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 201	Extraction	chilled methanol (-20 °C)		smp 201	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 201	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_80_0_1_1_00_1019718495.raw	Data transformation	smp 201		Metabolite identification	smp 201	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 192	Extraction	chilled methanol (-20 °C)		smp 192	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 192	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_45_0_1_1_00_1019718544.raw	Data transformation	smp 192		Metabolite identification	smp 192	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 191	Extraction	chilled methanol (-20 °C)		smp 191	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 191	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_33_0_1_1_00_1019718530.raw	Data transformation	smp 191		Metabolite identification	smp 191	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 222	Extraction	chilled methanol (-20 °C)		smp 222	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 222	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_09_0_1_1_00_1019718511.raw	Data transformation	smp 222		Metabolite identification	smp 222	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 211	Extraction	chilled methanol (-20 °C)		smp 211	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 211	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_57_0_1_1_00_1019718559.raw	Data transformation	smp 211		Metabolite identification	smp 211	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 561	Extraction	chilled methanol (-20 °C)		smp 561	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 561	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_70_0_1_1_00_1019718646.raw	Data transformation	smp 561		Metabolite identification	smp 561	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 552	Extraction	chilled methanol (-20 °C)		smp 552	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 552	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_94_0_1_1_00_1019718665.raw	Data transformation	smp 552		Metabolite identification	smp 552	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 145_212	Extraction	chilled methanol (-20 °C)		PND 145_212	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 145_212	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_80_0_1_1_00_1015505724.raw	Data transformation	PND 145_212		Metabolite identification	PND 145_212	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 145_221	Extraction	chilled methanol (-20 °C)		PND 145_221	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 145_221	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_92_0_1_1_00_1015505739.raw	Data transformation	PND 145_221		Metabolite identification	PND 145_221	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 145_551	Extraction	chilled methanol (-20 °C)		PND 145_551	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 145_551	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_09_0_1_1_00_1015505743.raw	Data transformation	PND 145_551		Metabolite identification	PND 145_551	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 145_562	Extraction	chilled methanol (-20 °C)		PND 145_562	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 145_562	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_21_0_1_1_00_1015505758.raw	Data transformation	PND 145_562		Metabolite identification	PND 145_562	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 241	Extraction	chilled methanol (-20 °C)		smp 241	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 241	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_81_0_1_1_00_1019718578.raw	Data transformation	smp 241		Metabolite identification	smp 241	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 231	Extraction	chilled methanol (-20 °C)		smp 231	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 231	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_69_0_1_1_00_1019718563.raw	Data transformation	smp 231		Metabolite identification	smp 231	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 581	Extraction	chilled methanol (-20 °C)		smp 581	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 581	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_46_0_1_1_00_1019718627.raw	Data transformation	smp 581		Metabolite identification	smp 581	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 572	Extraction	chilled methanol (-20 °C)		smp 572	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 572	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_82_0_1_1_00_1019718651.raw	Data transformation	smp 572		Metabolite identification	smp 572	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 242	Extraction	chilled methanol (-20 °C)		smp 242	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 242	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_93_0_1_1_00_1019718582.raw	Data transformation	smp 242		Metabolite identification	smp 242	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 583	Extraction	chilled methanol (-20 °C)		smp 583	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 583	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_11_0_1_1_00_1019718670.raw	Data transformation	smp 583		Metabolite identification	smp 583	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 261	Extraction	chilled methanol (-20 °C)		smp 261	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 261	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_34_0_1_1_00_1019718612.raw	Data transformation	smp 261		Metabolite identification	smp 261	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 681	Extraction	chilled methanol (-20 °C)		smp 681	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 681	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_23_0_1_1_00_1019718684.raw	Data transformation	smp 681		Metabolite identification	smp 681	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 145_592	Extraction	chilled methanol (-20 °C)		PND 145_592	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 145_592	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_45_0_1_1_00_1015505777.raw	Data transformation	PND 145_592		Metabolite identification	PND 145_592	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 145_602	Extraction	chilled methanol (-20 °C)		PND 145_602	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 145_602	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_57_0_1_1_00_1015505781.raw	Data transformation	PND 145_602		Metabolite identification	PND 145_602	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 145_671	Extraction	chilled methanol (-20 °C)		PND 145_671	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 145_671	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_69_0_1_1_00_1015505796.raw	Data transformation	PND 145_671		Metabolite identification	PND 145_671	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 281	Extraction	chilled methanol (-20 °C)		smp 281	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 281	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_36_0_1_1_00_1019718771.raw	Data transformation	smp 281		Metabolite identification	smp 281	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 612	Extraction	chilled methanol (-20 °C)		smp 612	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 612	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_71_0_1_1_00_1019718729.raw	Data transformation	smp 612		Metabolite identification	smp 612	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 611	Extraction	chilled methanol (-20 °C)		smp 611	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 611	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_84_0_1_1_00_1019718816.raw	Data transformation	smp 611		Metabolite identification	smp 611	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 622	Extraction	chilled methanol (-20 °C)		smp 622	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 622	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_83_0_1_1_00_1019718733.raw	Data transformation	smp 622		Metabolite identification	smp 622	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_271	Extraction	chilled methanol (-20 °C)		PND 200_271	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_271	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_81_0_1_1_00_1015505807.raw	Data transformation	PND 200_271		Metabolite identification	PND 200_271	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_272	Extraction	chilled methanol (-20 °C)		PND 200_272	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_272	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_93_0_1_1_00_1015505811.raw	Data transformation	PND 200_272		Metabolite identification	PND 200_272	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_621	Extraction	chilled methanol (-20 °C)		PND 200_621	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_621	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_22_0_1_1_00_1015505831.raw	Data transformation	PND 200_621		Metabolite identification	PND 200_621	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_282	Extraction	chilled methanol (-20 °C)		PND 200_282	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_282	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_10_0_1_1_00_1015505826.raw	Data transformation	PND 200_282		Metabolite identification	PND 200_282	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 292	Extraction	chilled methanol (-20 °C)		smp 292	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 292	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_60_0_1_1_00_1019718791.raw	Data transformation	smp 292		Metabolite identification	smp 292	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 302	Extraction	chilled methanol (-20 °C)		smp 302	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 302	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_24_0_1_1_00_1019718767.raw	Data transformation	smp 302		Metabolite identification	smp 302	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 301	Extraction	chilled methanol (-20 °C)		smp 301	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 301	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_12_0_1_1_00_1019718752.raw	Data transformation	smp 301		Metabolite identification	smp 301	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_291	Extraction	chilled methanol (-20 °C)		PND 200_291	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_291	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_34_0_1_1_00_1015505845.raw	Data transformation	PND 200_291		Metabolite identification	PND 200_291	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_631	Extraction	chilled methanol (-20 °C)		PND 200_631	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_631	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_46_0_1_1_00_1015505850.raw	Data transformation	PND 200_631		Metabolite identification	PND 200_631	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_641	Extraction	chilled methanol (-20 °C)		PND 200_641	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_641	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_58_0_1_1_00_1015505864.raw	Data transformation	PND 200_641		Metabolite identification	PND 200_641	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_642	Extraction	chilled methanol (-20 °C)		PND 200_642	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_642	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_70_0_1_1_00_1015505879.raw	Data transformation	PND 200_642		Metabolite identification	PND 200_642	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 232	Extraction	chilled methanol (-20 °C)		smp 232	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 232	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_48_0_1_1_00_1019718786.raw	Data transformation	smp 232		Metabolite identification	smp 232	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 651	Extraction	chilled methanol (-20 °C)		smp 651	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 651	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_95_0_1_1_00_1019718748.raw	Data transformation	smp 651		Metabolite identification	smp 651	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 571	Extraction	chilled methanol (-20 °C)		smp 571	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 571	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_72_0_1_1_00_1019718801.raw	Data transformation	smp 571		Metabolite identification	smp 571	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 321	Extraction	chilled methanol (-20 °C)		smp 321	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 321	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_35_0_1_1_00_1019718699.raw	Data transformation	smp 321		Metabolite identification	smp 321	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_311	Extraction	chilled methanol (-20 °C)		PND 200_311	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_311	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_82_0_1_1_00_1015505883.raw	Data transformation	PND 200_311		Metabolite identification	PND 200_311	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_322	Extraction	chilled methanol (-20 °C)		PND 200_322	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_322	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_94_0_1_1_00_1015505898.raw	Data transformation	PND 200_322		Metabolite identification	PND 200_322	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_661	Extraction	chilled methanol (-20 °C)		PND 200_661	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_661	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_11_0_1_1_00_1015505909.raw	Data transformation	PND 200_661		Metabolite identification	PND 200_661	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_662	Extraction	chilled methanol (-20 °C)		PND 200_662	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_662	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_23_0_1_1_00_1015505913.raw	Data transformation	PND 200_662		Metabolite identification	PND 200_662	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 341	Extraction	chilled methanol (-20 °C)		smp 341	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 341	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_47_0_1_1_00_1019718700.raw	Data transformation	smp 341		Metabolite identification	smp 341	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
smp 342	Extraction	chilled methanol (-20 °C)		smp 342	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			smp 342	FILES/RAW_FILES/batch_2/KIT2-0-8014_1019718835_59_0_1_1_00_1019718714.raw	Data transformation	smp 342		Metabolite identification	smp 342	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_331	Extraction	chilled methanol (-20 °C)		PND 200_331	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_331	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_35_0_1_1_00_1015505928.raw	Data transformation	PND 200_331		Metabolite identification	PND 200_331	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_591	Extraction	chilled methanol (-20 °C)		PND 200_591	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_591	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_47_0_1_1_00_1015505932.raw	Data transformation	PND 200_591		Metabolite identification	PND 200_591	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_672	Extraction	chilled methanol (-20 °C)		PND 200_672	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_672	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_59_0_1_1_00_1015505947.raw	Data transformation	PND 200_672		Metabolite identification	PND 200_672	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
PND 200_682	Extraction	chilled methanol (-20 °C)		PND 200_682	Chromatography	Waters ACQUITY UPLC system						ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm x 100 mm; Waters)	reverse phase								Mass spectrometry	positive	MRM	Waters Xevo TQ-S			electrospray ionization	MS	http://purl.obolibrary.org/obo/MS_1000073	triple quadrupole			PND 200_682	FILES/RAW_FILES/batch_1/B1_KIT2-0-8015_1015506073_71_0_1_1_00_1015505951.raw	Data transformation	PND 200_682		Metabolite identification	PND 200_682	m_MTBLS2028_AA_LC-MS_metabolite_profiling_v2_maf.tsv
