Sample Name	Protocol REF	Parameter Value[Extraction Method]	Extract Name	Protocol REF	Parameter Value[NMR tube type]	Term Source REF	Term Accession Number	Parameter Value[Solvent]	Term Source REF	Term Accession Number	Parameter Value[Sample pH]	Parameter Value[Temperature]	Unit	Term Source REF	Term Accession Number	Labeled Extract Name	Label	Term Source REF	Term Accession Number	Protocol REF	Parameter Value[Instrument]	Term Source REF	Term Accession Number	Parameter Value[NMR Probe]	Term Source REF	Term Accession Number	Parameter Value[Number of transients]	Parameter Value[Pulse sequence name]	Parameter Value[Magnetic field strength]	Unit	Term Source REF	Term Accession Number	Acquisition Parameter Data File	Protocol REF	NMR Assay Name	Free Induction Decay Data File	Protocol REF	Normalization Name	Derived Spectral Data File	Protocol REF	Data Transformation Name	Metabolite Assignment File
ADG10003u_007	Extraction		ADG10003u_007	NMR sample	5 mm standard	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000393	0.2 M phosphate buffered D2O	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000352	7.4	300	kelvin	UO	http://purl.obolibrary.org/obo/UO_0000012		hydrogen molecular entity	CHEBI	http://purl.obolibrary.org/obo/CHEBI_33608	NMR spectroscopy	Bruker AVANCE DRX 700 MHz spectrometer	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000410	5 mm PATXI 1H-13C/15N XYZ-GRD	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000486	128	1D NOESY with presaturation (noesypr1d)	16.4	tesla	UO	http://purl.obolibrary.org/obo/UO_0000228	FILES/acqus.txt	NMR assay	ADG10003u_007	FILES/ADG10003u_007.zip	Data transformation	ADG_normalized_data.xlsx	FILES/ADG10003u_007.nmrML	Metabolite identification	ADG_transformed_data.xlsx	m_MTBLS1_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
ADG10003u_008	Extraction		ADG10003u_008	NMR sample	5 mm standard	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000393	0.2 M phosphate buffered D2O	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000352	7.4	300	kelvin	UO	http://purl.obolibrary.org/obo/UO_0000012		hydrogen molecular entity	CHEBI	http://purl.obolibrary.org/obo/CHEBI_33608	NMR spectroscopy	Bruker AVANCE DRX 700 MHz spectrometer	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000410	5 mm PATXI 1H-13C/15N XYZ-GRD	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000486	128	1D NOESY with presaturation (noesypr1d)	16.4	tesla	UO	http://purl.obolibrary.org/obo/UO_0000228	FILES/acqus.txt	NMR assay	ADG10003u_008	FILES/ADG10003u_008.zip	Data transformation	ADG_normalized_data.xlsx	FILES/ADG10003u_008.nmrML	Metabolite identification	ADG_transformed_data.xlsx	m_MTBLS1_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
ADG10003u_009	Extraction		ADG10003u_009	NMR sample	5 mm standard	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000393	0.2 M phosphate buffered D2O	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000352	7.4	300	kelvin	UO	http://purl.obolibrary.org/obo/UO_0000012		hydrogen molecular entity	CHEBI	http://purl.obolibrary.org/obo/CHEBI_33608	NMR spectroscopy	Bruker AVANCE DRX 700 MHz spectrometer	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000410	5 mm PATXI 1H-13C/15N XYZ-GRD	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000486	128	1D NOESY with presaturation (noesypr1d)	16.4	tesla	UO	http://purl.obolibrary.org/obo/UO_0000228	FILES/acqus.txt	NMR assay	ADG10003u_009	FILES/ADG10003u_009.zip	Data transformation	ADG_normalized_data.xlsx	FILES/ADG10003u_009.nmrML	Metabolite identification	ADG_transformed_data.xlsx	m_MTBLS1_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
ADG10003u_010	Extraction		ADG10003u_010	NMR sample	5 mm standard	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000393	0.2 M phosphate buffered D2O	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000352	7.4	300	kelvin	UO	http://purl.obolibrary.org/obo/UO_0000012		hydrogen molecular entity	CHEBI	http://purl.obolibrary.org/obo/CHEBI_33608	NMR spectroscopy	Bruker AVANCE DRX 700 MHz spectrometer	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000410	5 mm PATXI 1H-13C/15N XYZ-GRD	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000486	128	1D NOESY with presaturation (noesypr1d)	16.4	tesla	UO	http://purl.obolibrary.org/obo/UO_0000228	FILES/acqus.txt	NMR assay	ADG10003u_010	FILES/ADG10003u_010.zip	Data transformation	ADG_normalized_data.xlsx	FILES/ADG10003u_010.nmrML	Metabolite identification	ADG_transformed_data.xlsx	m_MTBLS1_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
ADG10003u_015	Extraction		ADG10003u_015	NMR sample	5 mm standard	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000393	0.2 M phosphate buffered D2O	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000352	7.4	300	kelvin	UO	http://purl.obolibrary.org/obo/UO_0000012		hydrogen molecular entity	CHEBI	http://purl.obolibrary.org/obo/CHEBI_33608	NMR spectroscopy	Bruker AVANCE DRX 700 MHz spectrometer	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000410	5 mm PATXI 1H-13C/15N XYZ-GRD	MTBLS	http://www.ebi.ac.uk/metabolights/ontology/MTBLS_000486	128	1D NOESY with presaturation (noesypr1d)	16.4	tesla	UO	http://purl.obolibrary.org/obo/UO_0000228	FILES/acqus.txt	NMR assay	ADG10003u_015	FILES/ADG10003u_015.zip	Data transformation	ADG_normalized_data.xlsx	FILES/ADG10003u_015.nmrML	Metabolite identification	ADG_transformed_data.xlsx	m_MTBLS1_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
