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
QC-1	Extraction	methanol:water (4:1, v/v)		QC-1	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	QC-1	FILES/RAW_FILES/QC-1.raw	Data transformation	QC-1		Metabolite identification	QC-1	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
QC-2	Extraction	methanol:water (4:1, v/v)		QC-2	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	QC-2	FILES/RAW_FILES/QC-2.raw	Data transformation	QC-2		Metabolite identification	QC-2	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
QC-3	Extraction	methanol:water (4:1, v/v)		QC-3	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	QC-3	FILES/RAW_FILES/QC-3.raw	Data transformation	QC-3		Metabolite identification	QC-3	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
QC-4	Extraction	methanol:water (4:1, v/v)		QC-4	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	QC-4	FILES/RAW_FILES/QC-4.raw	Data transformation	QC-4		Metabolite identification	QC-4	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
CTR-1	Extraction	methanol:water (4:1, v/v)		CTR-1	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	CTR-1	FILES/RAW_FILES/CTR-1.raw	Data transformation	CTR-1		Metabolite identification	CTR-1	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
CTR-2	Extraction	methanol:water (4:1, v/v)		CTR-2	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	CTR-2	FILES/RAW_FILES/CTR-2.raw	Data transformation	CTR-2		Metabolite identification	CTR-2	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
CTR-3	Extraction	methanol:water (4:1, v/v)		CTR-3	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	CTR-3	FILES/RAW_FILES/CTR-3.raw	Data transformation	CTR-3		Metabolite identification	CTR-3	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
CTR-4	Extraction	methanol:water (4:1, v/v)		CTR-4	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	CTR-4	FILES/RAW_FILES/CTR-4.raw	Data transformation	CTR-4		Metabolite identification	CTR-4	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
CTR-5	Extraction	methanol:water (4:1, v/v)		CTR-5	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	CTR-5	FILES/RAW_FILES/CTR-5.raw	Data transformation	CTR-5		Metabolite identification	CTR-5	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
G(-)-1	Extraction	methanol:water (4:1, v/v)		G(-)-1	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	G(-)-1	FILES/RAW_FILES/G-1.raw	Data transformation	G(-)-1		Metabolite identification	G(-)-1	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
G(-)-2	Extraction	methanol:water (4:1, v/v)		G(-)-2	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	G(-)-2	FILES/RAW_FILES/G-2.raw	Data transformation	G(-)-2		Metabolite identification	G(-)-2	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
G(-)-3	Extraction	methanol:water (4:1, v/v)		G(-)-3	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	G(-)-3	FILES/RAW_FILES/G-3.raw	Data transformation	G(-)-3		Metabolite identification	G(-)-3	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
G(-)-4	Extraction	methanol:water (4:1, v/v)		G(-)-4	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	G(-)-4	FILES/RAW_FILES/G-4.raw	Data transformation	G(-)-4		Metabolite identification	G(-)-4	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
G(-)-5	Extraction	methanol:water (4:1, v/v)		G(-)-5	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	G(-)-5	FILES/RAW_FILES/G-5.raw	Data transformation	G(-)-5		Metabolite identification	G(-)-5	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
G(-) Era-1	Extraction	methanol:water (4:1, v/v)		G(-) Era-1	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	G(-) Era-1	FILES/RAW_FILES/G-Era-1.raw	Data transformation	G(-) Era-1		Metabolite identification	G(-) Era-1	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
G(-) Era-2	Extraction	methanol:water (4:1, v/v)		G(-) Era-2	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	G(-) Era-2	FILES/RAW_FILES/G-Era-2.raw	Data transformation	G(-) Era-2		Metabolite identification	G(-) Era-2	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
G(-) Era-3	Extraction	methanol:water (4:1, v/v)		G(-) Era-3	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	G(-) Era-3	FILES/RAW_FILES/G-Era-3.raw	Data transformation	G(-) Era-3		Metabolite identification	G(-) Era-3	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
G(-) Era-4	Extraction	methanol:water (4:1, v/v)		G(-) Era-4	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	G(-) Era-4	FILES/RAW_FILES/G-Era-4.raw	Data transformation	G(-) Era-4		Metabolite identification	G(-) Era-4	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv
G(-) Era-5	Extraction	methanol:water (4:1, v/v)		G(-) Era-5	Chromatography	Thermo Scientific TRACE 1310 GC	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000930		DB-5ms GC (0.25 µm, 0.25 mm x 30 m; Agilent Technologies)	low polarity						Mass spectrometry	positive	50-500	Thermo Scientific TSQ 9000	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/placeholder	electron ionization	MS	http://purl.obolibrary.org/obo/MS_1000389	triple quadrupole	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000698	G(-) Era-5	FILES/RAW_FILES/G-Era-5.raw	Data transformation	G(-) Era-5		Metabolite identification	G(-) Era-5	m_MTBLS5358_GC-MS_positive__metabolite_profiling_v2_maf.tsv