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Analysis: NMR data

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
3-hydroxyisovaleric acid3-Hydroxyisovaleric acidME441647----
4-hydroxyphenylacetate (4-HPA)_14-Hydroxyphenylacetic acidME441665----
4-hydroxyphenylacetate (4-HPA)_24-Hydroxyphenylacetic acidME441677----
AcetateAcetic acidME441650----
Acetoacetate_1Acetoacetic acidME441653----
Acetoacetate_2Acetoacetic acidME441664----
AcetoneAcetoneME441651----
Aminohippurate (Quantification unreliable because ...Aminohippuric acidME441680----
Bile acid_1-ME441645----
Bile acid_2-ME441646----
CholineCholineME441661----
CitrateCitric acidME441656----
CreatineCreatineME441669----
Dimethylamine (DMA)DimethylamineME441657----
FormateFormic acidME441685----
FumarateFumaric acidME441676----
GlycineGlycineME441666----
GlycolateGlycolic acidME441670----
Hippurate_1Hippuric acidME441671----
Hippurate_2Hippuric acidME441678----
Hippurate_3Hippuric acidME441679----
Hippurate_4Hippuric acidME441682----
Hydroxyhippurate-ME441672----
Hypoxanthine_1HypoxanthineME441683----
Hypoxanthine_2HypoxanthineME441684----
IndoxylsulfateIndoxyl sulfateME441681----
LactateLactic acidME441648----
Mannitol_1MannitolME441667----
Mannitol_2MannitolME441668----
MethylguanidineMethylguanidineME441659----
PyruvatePyruvic acidME441655----
Scylloinositol (Quantification unreliable because ...-ME441662----
TartrateTartaric acidME441673----
TaurineTaurineME441663----
Trigonellinamide_11-Methyl nicotinamideME441688----
Trigonellinamide_21-Methyl nicotinamideME441689----
Trigonellinamide_31-Methyl nicotinamideME441691----
Trigonelline_1TrigonellineME441687----
Trigonelline_2TrigonellineME441690----
Unknown 1 (0.15ppm)-ME441643----
Unknown 10 (8.77ppm)-ME441686----
Unknown 11 (9.36ppm)-ME441692----
Unknown 2 (0.36ppm)-ME441644----
Unknown 3 (1.85ppm)-ME441649----
Unknown 4 (2.26ppm)-ME441652----
Unknown 5 (2.33ppm)-ME441654----
Unknown 6 (2.77ppm)-ME441658----
Unknown 7 (3.08ppm)-ME441660----
Unknown 8 (6.07ppm)-ME441674----
Unknown 9 (6.18ppm)-ME441675----


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