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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 acidME383053----
AcetateAcetic acidME383049----
AlanineAlanineME383047----
Aspartate1Aspartic acidME383060----
Aspartate2Aspartic acidME383061----
ATP+AMP1ATPME383070----
ATP+AMP3ATPME383080----
ATP+AMP4ATPME383091----
BenzoateBenzoic acidME383087----
Creatine1CreatineME383063----
Creatine2CreatineME383068----
CreatinineCreatinineME383064----
FormateFormic acidME383094----
FumarateFumaric acidME383081----
Glucose1GlucoseME383065----
Glucose2GlucoseME383067----
Glucose3GlucoseME383071----
Glucose4GlucoseME383073----
GlutamateGlutamic acidME383054----
Glutamate1Glutamic acidME383050----
Glutamine1+GlutamateGlutamineME383052----
Glutamine2GlutamineME383057----
Glutathione2GlutathioneME383062----
GlycineGlycineME383066----
HistidineHistidineME383083----
Inosine_or_Adenosine-ME383093----
IsobutyrateIsobutyric acidME383045----
Isocitrate+GlutathioneIsocitric acidME383058----
IsoleucineIsoleucineME383043----
Lactate1Lactic acidME383046----
Lactate2Lactic acidME383069----
LeucineLeucineME383041----
LysineLysineME383048----
MannoseMannoseME383072----
Methionine+O-AcetylcholineMethionineME383051----
NAD+1NAD+ME383078----
NAD+2NAD+ME383079----
NAD+3NAD+ME383096----
NAD+4NAD+ME383098----
NAD+5NAD+ME383099----
Nicotinurate1Nicotinuric acidME383088----
Nicotinurate 2Nicotinuric acidME383095----
Nicotinurate3Nicotinuric acidME383097----
Pantothenate?Pantothenic acidME383040----
PhenylalaninePhenylalanineME383086----
Pyruvate+AM20:CM20-ME383055----
Sarcosine?SarcosineME383059----
SuccinateSuccinic acidME383056----
Sucrose+MaltoseSucroseME383074----
Tryptophan1TryptophanME383085----
Tryptophan2TryptophanME383089----
Tyrosine1TyrosineME383082----
Tyrosine2TyrosineME383084----
UDP-N-Acetylglucosamine1UDP-N-acetylglucosamineME383075----
UDP-N-Acetylglucosamine2UDP-N-acetylglucosamineME383090----
Unknown5.95to6.0ppm-ME383077----
Unknown7.96to7.94-ME383092----
Uridine triphosphateUTPME383076----
Valine1ValineME383042----
Valine2ValineME383044----


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