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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
Incaproate-ME382953----
Pantothenate?Pantothenic acidME382954----
Pantothenate2?Pantothenic acidME382955----
LeucineLeucineME382956----
ValineValineME382957----
IsoleucineIsoleucineME382958----
Valine2ValineME382959----
Isobutyrate1Isobutyric acidME382960----
Isobutyrate2Isobutyric acidME382961----
Lactate1Lactic acidME382962----
AlanineAlanineME382963----
LysineLysineME382964----
AcetateAcetic acidME382965----
GlutamateGlutamic acidME382966----
Glutamate2+Glutamine1+Methionine+O-Acetylcholine-ME382967----
AcetoneAcetoneME382968----
Glutamate2Glutamic acidME382969----
PyruvatePyruvic acidME382970----
SuccinateSuccinic acidME382971----
Glutamine2GlutamineME382972----
Unknown2.54to2.56ppm-ME382973----
AspartateAspartic acidME382974----
Aspartate2Aspartic acidME382975----
N,N-DimethylformamideN,N-DimethylformamideME382976----
Creatine1CreatineME382977----
CreatinineCreatinineME382978----
Unknown3.06to3.17ppm-ME382979----
O-phosphocholineCholine phosphateME382980----
Sn-Glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME382981----
Trimethyl-N-oxideTrimethylamine N-oxideME382982----
Taurine1TaurineME382983----
Taurine2TaurineME382984----
GlycineGlycineME382985----
Creatine2CreatineME382986----
Lactate2Lactic acidME382987----
Adenosine1AdenosineME382988----
ATP/AMP1-ME382989----
Adenosine2AdenosineME382990----
ATP/AMP2-ME382991----
Glucose1GlucoseME382992----
Glucose2GlucoseME382993----
Glucose-1-PhosphateGlucose 1-phosphateME382994----
NAD+1NADME382995----
NAD+2NADME382996----
ATP/AMP3-ME382997----
FumarateFumaric acidME382998----
Tyrosine1TyrosineME382999----
HistidineHistidineME383000----
Tyrosine2TyrosineME383001----
Trytophan1-ME383002----
Phyenylalanine-ME383003----
Benzoate1Benzoic acidME383004----
Nicotinurate1Nicotinuric acidME383005----
Tryptophan2TryptophanME383006----
Xanthine?XanthineME383007----
ATP/AMP4-ME383008----
Inosine1InosineME383009----
Inosine2InosineME383010----
NAD+3NADME383011----
FormateFormic acidME383012----
ATP2ATPME383013----
Unknown-ME383014----
ATP/AMP5-ME383015----
Nicotinurate2Nicotinuric acidME383016----
NAD+4NADME383017----
Nicotinurate3Nicotinuric acidME383018----
NAD+5NADME383019----
NAD+6NADME383020----


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