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]	Parameter Value[Column model]	Parameter Value[Column type]	Parameter Value[Guard column]	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
rapZE227Stop-1	Extraction			rapZE227Stop-1	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide (1.7 µm, 2.1 mm x 100 mm; Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							rapZE227Stop-1		Data transformation	rapZE227Stop-1	FILES/DERIVED_FILES/Amide/Amide-rapZE227Stop-1.mzML	Metabolite identification	rapZE227Stop-1	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
rapZE227Stop-2	Extraction			rapZE227Stop-2	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							rapZE227Stop-2		Data transformation	rapZE227Stop-2	FILES/DERIVED_FILES/Amide/Amide-rapZE227Stop-2.mzML	Metabolite identification	rapZE227Stop-2	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
rapZE227Stop-3	Extraction			rapZE227Stop-3	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							rapZE227Stop-3		Data transformation	rapZE227Stop-3	FILES/DERIVED_FILES/Amide/Amide-rapZE227Stop-3.mzML	Metabolite identification	rapZE227Stop-3	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
rapZE227Stop-4	Extraction			rapZE227Stop-4	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							rapZE227Stop-4		Data transformation	rapZE227Stop-4	FILES/DERIVED_FILES/Amide/Amide-rapZE227Stop-4.mzML	Metabolite identification	rapZE227Stop-4	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
rapZE227Stop-5	Extraction			rapZE227Stop-5	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							rapZE227Stop-5		Data transformation	rapZE227Stop-5	FILES/DERIVED_FILES/Amide/Amide-rapZE227Stop-5.mzML	Metabolite identification	rapZE227Stop-5	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
rapZE227Stop-6	Extraction			rapZE227Stop-6	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							rapZE227Stop-6		Data transformation	rapZE227Stop-6	FILES/DERIVED_FILES/Amide/Amide-rapZE227Stop-6.mzML	Metabolite identification	rapZE227Stop-6	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
WT-1	Extraction			WT-1	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							WT-1		Data transformation	WT-1	FILES/DERIVED_FILES/Amide/Amide-WT-1.mzML	Metabolite identification	WT-1	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
WT-2	Extraction			WT-2	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							WT-2		Data transformation	WT-2	FILES/DERIVED_FILES/Amide/Amide-WT-2.mzML	Metabolite identification	WT-2	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
WT-3	Extraction			WT-3	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							WT-3		Data transformation	WT-3	FILES/DERIVED_FILES/Amide/Amide-WT-3.mzML	Metabolite identification	WT-3	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
WT-4	Extraction			WT-4	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							WT-4		Data transformation	WT-4	FILES/DERIVED_FILES/Amide/Amide-WT-4.mzML	Metabolite identification	WT-4	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
WT-5	Extraction			WT-5	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							WT-5		Data transformation	WT-5	FILES/DERIVED_FILES/Amide/Amide-WT-5.mzML	Metabolite identification	WT-5	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
WT-6	Extraction			WT-6	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							WT-6		Data transformation	WT-6	FILES/DERIVED_FILES/Amide/Amide-WT-6.mzML	Metabolite identification	WT-6	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
WRP-1	Extraction			WRP-1	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							WRP-1		Data transformation	WRP-1	FILES/DERIVED_FILES/Amide/Amide-WRP-1.mzML	Metabolite identification	WRP-1	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
WRP-2	Extraction			WRP-2	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							WRP-2		Data transformation	WRP-2	FILES/DERIVED_FILES/Amide/Amide-WRP-2.mzML	Metabolite identification	WRP-2	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
WRP-3	Extraction			WRP-3	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							WRP-3		Data transformation	WRP-3	FILES/DERIVED_FILES/Amide/Amide-WRP-3.mzML	Metabolite identification	WRP-3	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
WRP-4	Extraction			WRP-4	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							WRP-4		Data transformation	WRP-4	FILES/DERIVED_FILES/Amide/Amide-WRP-4.mzML	Metabolite identification	WRP-4	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
WRP-5	Extraction			WRP-5	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							WRP-5		Data transformation	WRP-5	FILES/DERIVED_FILES/Amide/Amide-WRP-5.mzML	Metabolite identification	WRP-5	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
WRP-6	Extraction			WRP-6	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							WRP-6		Data transformation	WRP-6	FILES/DERIVED_FILES/Amide/Amide-WRP-6.mzML	Metabolite identification	WRP-6	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
QC-1	Extraction			QC-1	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							QC-1		Data transformation	QC-1	FILES/DERIVED_FILES/Amide/Amide-QC-1.mzML	Metabolite identification	QC-1	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
QC-2	Extraction			QC-2	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							QC-2		Data transformation	QC-2	FILES/DERIVED_FILES/Amide/Amide-QC-2.mzML	Metabolite identification	QC-2	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
QC-3	Extraction			QC-3	Chromatography	Shimadzu LC-30AD pump and CBM-20A controller	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000867		"ACQUITY UPLC BEH Amide(1.7μm,2.1mm x 100mm;Waters)"	HILIC						Mass spectrometry	alternating	60-1000	AB SCIEX QTRAP 6500+	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_002299							QC-3		Data transformation	QC-3	FILES/DERIVED_FILES/Amide/Amide-QC-3.mzML	Metabolite identification	QC-3	m_MTBLS13411_LC-MS_alternating_hilic_metabolite_profiling_v2_maf.tsv
