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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
AcetateAcetic acidME382872----
AlanineAlanineME382870----
AllantoinAllantoinME382899----
AspartateAspartic acidME382879----
ATP2ATPME382926----
ATP+AMP1ATPME382894----
ATP+AMP2ATPME382896----
ATP+AMP3ATPME382905----
ATP+AMP4ATPME382928----
BenzoateBenzoic acidME382915----
Citrate-1Citric acidME382878----
Creatine1CreatineME382880----
Creatine2CreatineME382890----
CreatinineCreatinineME382881----
FormateFormic acidME382923----
FumarateFumaric acidME382906----
Glucose1GlucoseME382897----
Glucose2GlucoseME382898----
GlutamateGlutamic acidME382875----
Glutamate1Glutamic acidME382873----
Glutamine1+Glutamate+Methionine+O-Acetylcholine-ME382874----
GlycineGlycineME382889----
HistidineHistidineME382910----
Inosine1InosineME382895----
Inosine_or_Adenosine-ME382921----
IsobutyrateIsobutyric acidME382868----
IsocaproateIsocaproic acidME382863----
IsoleucineIsoleucineME382866----
Lactate1Lactic acidME382869----
Lactate2Lactic acidME382892----
LeucineLeucineME382864----
LysineLysineME382871----
Myo-inositol1Myo-inositolME382886----
Myo-Inositol2Myo-inositolME382888----
Myo-inositol3Myo-inositolME382891----
NAD+1NAD+ME382903----
NAD+2NAD+ME382904----
NAD+3NAD+ME382922----
NAD+4NAD+ME382930----
NAD+5NAD+ME382932----
NAD+6NAD+ME382933----
NADHNADHME382924----
NADH2NADHME382925----
Nicotinurate2Nicotinuric acidME382916----
Nicotinurate 3Nicotinuric acidME382929----
Nicotinurate4Nicotinuric acidME382931----
O-phosphocholineCholine phosphateME382882----
P-Cresol1?-ME382907----
p-Cresol2?-ME382908----
PhenylalaninePhenylalanineME382914----
PyruvatePyruvic acidME382876----
Sn-Glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME382883----
Sn-Glycero-3-Phosphocholine2sn-Glycero-3-phosphocholineME382893----
SuccinateSuccinic acidME382877----
SucroseSucroseME382900----
Taurine1TaurineME382885----
Taurine-2TaurineME382887----
Trimethyl-N-oxideTrimethylamine N-oxideME382884----
Tryptophan1TryptophanME382913----
Tryptophan2TryptophanME382918----
Tyramine?TyramineME382917----
Tyrosine1TyrosineME382909----
Tyrosine2TyrosineME382912----
Unknown7.14to7.11ppm-ME382911----
Unknown7.96to7.94-ME382920----
Unknown8.61to8.59-ME382927----
UracilUracilME382901----
Uridine TriphosphateUTPME382902----
Valine1ValineME382865----
Valine2ValineME382867----
Xanthine?XanthineME382919----


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