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Analysis: ESI negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
3-Phosphoglycerate3-Phosphoglyceric acidME681483724C00597--
3-Phospho-serinePhosphoserineME68148468841C01005--
6-Phospho-D-gluconate6-Phosphogluconic acidME68158291493C00345--
AcetoacetateAcetoacetic acidME68148596C00164--
Acetyl-CoAAcetyl-CoAME681486444493C00024--
AcetylphosphateAcetylphosphateME681583186C00227--
AdenineAdenineME681487190C00147--
AdenosineAdenosineME68148860961C00212--
ADPADPME6814896022C00008--
ADP-D-glucoseADP-glucoseME681490-C00498--
AlanineAlanineME6814915950C00041--
alpha-Ketoglutarate2-Oxoglutaric acidME68149251C00026--
AMPAMPME6814936083C00020--
ArginineArginineME6814946322C00062--
AsparagineAsparagineME6814956267C00152--
AspartateAspartic acidME6814965960C00049--
ATPATPME6814975957C00002--
ATP/ADP-ME681584----
ATP/AMP-ME681585----
BiotinBiotinME681586171548C00120--
CarnitineCarnitineME681587288---
CDPCDPME6814986132C00112--
CitrateCitric acidME681499311C00158--
CitrullineCitrullineME6815009750C00327--
CMPCMPME6815016131C00055--
CoACoenzyme AME681502----
CreatineCreatineME681588586C00300--
CreatinineCreatinineME681589588C00791--
CTPCTPME6815906176C00063--
dAMPdAMPME68150312599C00360--
dCTPdCTPME68150465091C00458--
DeoxyuridineDeoxyuridineME68159113712C00526--
Dephospho-CoA3'-Dephospho-CoAME681592444485C00882--
D-Hexose-phosphate-ME681505----
Dihydroxy-acetone phosphateDihydroxyacetone phosphateME681593668C00111--
D-Rib(ul)ose-5-phosphateRibulose 5-phosphateME681506439184C00199--
dTDPdTDPME681507164628C00363--
Erythrose-4-phosphateErythrose 4-phosphateME681594122357C00279--
FADFADME681508643975C00016--
FMNFMNME681595643976C00061--
Fructose-1,6-bisphosphateFructose 1,6-bisphosphateME681509172313C00354--
GDPGDPME6815108977C00035--
Geranyl-PPGeranyl diphosphateME681603----
GluconateGluconic acidME68151110690C00257--
Glucosamine-1-P or 6-P-ME681596----
GlutamateGlutamic acidME681512----
GlutamineGlutamineME6815135961C00064--
Glycerol-3-phosphatesn-Glycero-3-phosphateME681514439162C00093--
GlycineGlycineME681515750C00037--
GMPGMPME6815166804C00144--
GTPGTPME6815976830C00044--
GuanineGuanineME681517764C00242--
GuanosineGuanosineME6815186802C00387--
HistidineHistidineME6815196274C00135--
Homocysteic acidHomocysteic acidME681520177491C16511--
HomocysteineHomocysteineME681521778C05330--
HypoxanthineHypoxanthineME681522790C00262--
IDPIDPME6815236831C00104--
IMPIMPME6815248582C00130--
InosineInosineME6815986021C00294--
(Iso)leucineIsoleucineME6814826306C00407--
ITPITPME681525----
LactateLactic acidME681526107689C00186--
LysineLysineME6815275962C00047--
MalateMalic acidME681528222656C00149--
Malonyl-CoAMalonyl-CoAME681529644066C00083--
MethionineMethionineME6815306137C00073--
myo-InositolMyo-inositolME681531892C00137--
N-Acetyl-glucosamine-1-phosphateN-Acetyl-D-glucosamine 1-phosphateME681532440272C04256--
N-AcetylornithineN-AcetylornithineME681533439232C00437--
NAD+NAD+ME68153410897651C00003--
NADHNADHME681535439153C00004--
NADP+NADP+ME6815365886C00006--
NADPHNADPHME6815375884C00005--
Oleic acidOleic acidME681538445639C00712--
OrnithineOrnithineME6815396262C00077--
Orotidine-phosphate-ME681604----
Oxidized glutathioneOxidized glutathioneME681540975C00127--
Palmitic acidPalmitic acidME681541985C00249--
p-Aminobenzoate/Anthranilatep-Aminobenzoic acidME681542978C00568--
PantothenatePantothenic acidME681543988C00864--
PC_34:2PC 34:2ME681544----
PC_36:4PC 36:4ME681545----
PC_38:6PC 38:6ME681546----
PE_38:4PE 38:4ME681547----
PE_38:6PE 38:6ME681548----
PE_38:6 ether-ME681549----
PE_40:6 ester-ME681550----
PE_40:6 ether-ME681551----
PG_34:1PG 34:1ME681552----
PhenylalaninePhenylalanineME6815536140C00079--
PhenylpyruvatePhenylpyruvic acidME681554997C00166--
PhosphocreatinePhosphocreatineME681555587C02305--
PhosphoenolpyruvatePhosphoenolpyruvic acidME6816051005C00074--
p-Hydroxybenzoate4-Hydroxybenzoic acidME681556135C00156--
PI_38:4PI 38:4ME681557----
ProlineProlineME681558145742C00148--
Propionyl-CoAPropionyl-CoAME68159992753C00100--
PRPPPhosphoribosyl pyrophosphateME6816067339C00119--
PS_38:4PS 38:4ME681559----
PS_40:6PS 40:6ME681560----
QuinolinateQuinolinic acidME6815611066C03722--
Reduced glutathioneGlutathioneME681562----
RiboflavinRiboflavinME681607493570C00255--
SerineSerineME6815635951C00065--
Stearic acidStearic acidME6815645281C01530--
SuccinateSuccinic acidME6815651110C00042--
Succinyl-CoASuccinyl-CoAME68160892133C00091--
TaurineTaurineME6815661123C00245--
Taurocholic acidTaurocholic acidME6816096675C05122--
ThreonineThreonineME6815676288C00188--
ThymidineThymidineME6816005789C00214--
ThymineThymineME6815681135C00178--
TryptophanTryptophanME6815696305C00078--
TTPdTTPME68157064968C00459--
TyrosineTyrosineME6815716057C00082--
UDPUDPME6815726031C00015--
UDP-D-glucoseUDP-glucoseME68157353477679C00029--
UDP-D-glucuronateUDP-glucuronic acidME68157417473C00167--
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME681575----
UMPUMPME6815766030C00105--
UracilUracilME6815771174C00106--
UridineUridineME6815786029C00299--
UTPUTPME6816016133C00075--
ValineValineME6815796287C00183--
XanthineXanthineME6815801188C00385--
XanthosineXanthosineME68158164959C01762--
Xanthosine-5-phosphateXMPME68160273323C00655--


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