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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
2-Aminoadipatealpha-Aminoadipic acidME382559----
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME382551----
3-methyl histidine3-MethylhistidineME382569----
AcetateAcetic acidME382556----
AlanineAlanineME382553----
Alpha-Glucose.1GlucoseME382579----
ArginineArginineME382554----
Aspartate1Aspartic acidME382571----
Aspartate2Aspartic acidME382572----
BenzoateBenzoic acidME382587----
Beta-GlucoseGlucoseME382578----
BetaineBetaineME382570----
Creatine1CreatineME382564----
Creatine2CreatineME382573----
CreatinineCreatinineME382565----
FormateFormic acidME382591----
FumarateFumaric acidME382582----
Glutamate1+Proline-ME382557----
Glutamate2Glutamic acidME382560----
Glutamate+Glutamine+methionine+O-Acetylcholine-ME382558----
Glutamine2GlutamineME382563----
GlycerolGlycerolME382567----
GlycineGlycineME382568----
Histidine1HistidineME382584----
Histidine2HistidineME382589----
InosineInosineME382590----
IsobutyrateIsobutyric acidME382550----
IsoleucineIsoleucineME382548----
Lactate1Lactic acidME382552----
Lactate2Lactic acidME382576----
LeucineLeucineME382546----
LysineLysineME382555----
Malonate?Malonic acidME382566----
MaltoseMaltoseME382580----
Myo-inositolMyo-inositolME382574----
O-PhosphoethanolaminePhosphoethanolamineME382575----
PhenylalaninePhenylalanineME382586----
Pyridoxine?PyridoxineME382588----
PyruvatePyruvic acidME382561----
Sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME382577----
SuccinateSuccinic acidME382562----
Tyrosine1TyrosineME382583----
Tyrosine2TyrosineME382585----
UDP-sugar-ME382581----
Valine1ValineME382547----
Valine2ValineME382549----


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