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


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