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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-Hydroxybutyric acid2-Hydroxybutyric acidME45424811266C05984--
3-Hydroxybutyric acid3-Hydroxybutyric acidME454250441C01089--
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME45426147C00671--
3-Methylhistidine3-MethylhistidineME45422264969C01152--
Acetic acidAcetic acidME454252176C00033--
AcetoneAcetoneME454253180C00207--
AcetylcholineAcetylcholineME4542596060C01996--
AllantoinAllantoinME454223204C01551--
Alpha-D-GlucoseGlucoseME45422479025C00267--
Beta-Alaninebeta-AlanineME454225239C00099--
Butyric acidButyric acidME454254264C00246--
CarnosineCarnosineME454226439224C00386--
CholineCholineME454227305C00114--
Citric acidCitric acidME454228311C00158--
CreatineCreatineME454229586C00300--
CreatinineCreatinineME454230588C00791--
DeoxyadenosineDeoxyadenosineME45423113730C00559--
DimethylamineDimethylamineME454255674C00543--
DimethylglycineDimethylglycineME454256673C01026--
D-MannoseMannoseME45423218950C00159--
Formic acidFormic acidME454257284C00058--
GlycineGlycineME454233750C00037--
Hippuric acidHippuric acidME454234464C01586--
KetoleucineKetoleucineME45424970C00233--
LactoseLactoseME4542586134C01970--
L-HistidineHistidineME4542356274C00135--
L-IsoleucineIsoleucineME4542366306C00407--
L-Lactic acidLactic acidME45423761503C00256--
L-LeucineLeucineME4542386106C00123--
L-LysineLysineME4542395962C00047--
L-MethionineMethionineME4542406137C00073--
L-ThreonineThreonineME4542416288C00188--
L-TryptophanTryptophanME4542426305C00078--
L-TyrosineTyrosineME4542436057C00082--
L-ValineValineME4542446287C00183--
PhosphorylcholineCholine phosphateME4542451014C00588--
Propionic acidPropionic acidME4542461032C00163--
Pyruvic acidPyruvic acidME4542601060C00022--
(S)-3-Hydroxyisobutyric acid3-Hydroxyisobutyric acidME45425187C06001--
SarcosineSarcosineME4542471088C00213--


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