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Analysis: HILIC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
hydroxyglutarate2-Hydroxyglutaric acidME45094043--147.03
alpha-ketoglutarate2-Oxoglutaric acidME45093751--145.014
gamma-amino-butyrategamma-Aminobutyric acidME450930119--102.056
phosphoribosylaminePhosphoribosylamineME450963150--228.028
betaineBetaineME450897247--116.072
carbamoyl-aspartateCarbamoylaspartateME450951279--175.036
carnitineCarnitineME450908288---
cholineCholineME450893305---
citrate / isocitrateCitric acid/Isocitric acidME450958311--191.02
malateMalic acidME450935525--133.014
creatineCreatineME450901586--130.062
creatinineCreatinineME450895588--112.052
cystineCystineME451012595--239.017
lactateLactic acidME450928612--89.024
prolineProlineME450896614--114.056
dihydroxyacetone-phosphateDihydroxyacetone phosphateME450948668--168.991
gamma-butyrobetaine3-DehydroxycarnitineME450905725--144.103
glyceraldehyde-3-phosphateGlyceraldehyde 3-phosphateME451011729--168.991
glycineGlycineME450891750--74.025
glycerol-3-phosphatesn-Glycero-3-phosphateME450949754--171.006
cystathionineCystathionineME450917834--221.06
kynurenineKynurenineME450916846--207.078
nicotinamideNiacinamideME450900936--121.041
palmitic acidPalmitic acidME450967985--255.233
phosphatePhosphoric acidME4509291004--96.97
phosphoenolpyruvatePhosphoenolpyruvic acidME4509471005--166.975
phosphocholineCholine phosphateME4509131014---
phosphorylethanolaminePhosphoethanolamineME4509361015--140.012
picolinic acidPicolinic acidME4509331018--122.025
pyruvatePyruvic acidME4509271060--87.009
quinolinic acidQuinolinic acidME4509461066--166.015
succinateSuccinic acidME4509321110--117.019
caffeineCaffeineME4509262519--193.073
lauric acidLauric acidME4509603893--199.17
stearic acidStearic acidME4509745281--283.264
sorbitolSorbitolME4509545780--181.072
glucoseGlucoseME4509525793--179.056
NADPHNADPHME4510085884--744.084
NADP+NADP+ME4509245886---
NAD+NAD+ME4509235892---
alanineAlanineME4508925950--88.04
serineSerineME4508945951--104.035
ATPATPME4510035957--505.988
aspartateAspartic acidME4509345960--132.03
glutamineGlutamineME4509385961--145.062
lysineLysineME4509065962--145.098
ADPADPME4509956022--426.022
UMPUMPME4509856030--323.029
UDPUDPME4509936031--402.995
tyrosineTyrosineME4509536057--180.067
AMPAMPME4509876083--346.056
leucine / isoleucineLeucine/IsoleucineME4509026106--130.087
CMPCMPME4509846131--322.045
CDPCDPME4509926132--402.011
UTPUTPME4510016133--482.961
methionineMethionineME4509076137--148.044
phenylalaninePhenylalanineME4509106140--164.072
cytidineCytidineME4509666175--242.078
CTPCTPME4510006176--481.977
ornithineOrnithineME4509046262--131.083
asparagineAsparagineME4509036267--131.046
histidineHistidineME4509436274--154.062
valineValineME4508986287--116.072
threonineThreonineME4508996288--118.051
tryptophanTryptophanME4509616305--203.083
arginineArginineME4509116322--173.104
dTMPdTMPME4509839700--321.049
citrullineCitrullineME4509129750--174.088
fructose-1;6-bisphosphate-ME45098610267--338.989
arachidic acidArachidic acidME45098110467--311.296
myristic acidMyristic acidME45096211005--227.202
CDP-cholineCDP-cholineME45092213804---
dATPdATPME45100215993--489.994
glutamateGlutamic acidME45093933032--146.046
S-adenosyl-methionineS-AdenosylmethionineME45092134756---
adenosineAdenosineME45091960961--266.089
dTTPdTTPME45099964968--480.982
dCTPdCTPME45099865091--465.982
fructose-1-phosphateFructose 1-phosphateME45096865246--259.022
GSSGOxidized glutathioneME45100665359--611.145
phosphoserinePhosphoserineME45095568841--184.002
N-acetylglutamateN-Acetylglutamic acidME45095770914--188.056
CoACoenzyme AME45100987642--766.108
6-phosphogluconic acid6-Phosphogluconic acidME45097091493--275.017
erythrose-4-phosphateErythrose 4-phosphateME450959122357--199.001
CDP-ethanolamineCDP-EthanolamineME450997123727--445.053
GSHGlutathioneME450980124886--306.077
FGARFGARME450982130805--313.044
methioninesulfoxideMethionine sulfoxideME450909158980--164.039
saccharopineSaccharopineME450971160556--275.125
SAICARSAICARME451013160666--453.066
GARGARME450975160913--285.049
FAICARFAICARME450990166760--365.05
NADHNADHME451007439153--664.118
S-adenosyl-homocysteineS-AdenosylhomocysteineME450991439155--383.114
5'-methylthioadenosine5'-MethylthioadenosineME450920439176--296.082
phosphoglyceratePhosphoglyceric acidME450956439183--184.986
rib/ribul/xylul-ose-phosphate-ME450964439190--229.012
N-acetylglucosamine-phosphateN-Acetyl-glucosamine 6-phosphateME450979439219--300.049
argininosuccinateArgininosuccinic acidME450977439998--289.115
N-trimethyllysineN-6-TrimethyllysineME450914440121--189.16
acetyl-CoAAcetyl-CoAME451010444493--808.119
fumarateFumaric acidME450931444972--115.004
oleic acidOleic acidME450972445639--281.249
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME451005445675--606.074
riboflavinRiboflavinME450925493570--375.131
cis-aconitatecis-Aconitic acidME450950643757--173.009
glycerophosphocholinesn-Glycero-3-phosphocholineME450918657272---
orotateOrotic acidME4509441492348--155.01
fructoseFructoseME4510142723872--179.056
trifluoromethanesulfonate*-ME4509412758875--148.953
xyluloseXyluloseME4509425289590--149.046
phosphatidylethanolamine-ME4509785327011--298.07
dihydroorotate4,5-Dihydroorotic acidME4509455461056--157.025
acetyl-carnitineCAR 2:0ME4509157045767---
sedoheptulose-7-phosphateSedoheptulose 7-phosphateME45097622833559--289.033
GDPGDPME450996135398619--442.017
GMPGMPME450989135398631--362.051
GTPGTPME451004135398633--521.983
guanosineGuanosineME450973135398635--282.084
IMPIMPME450988135398640--347.04
inosineInosineME450969135398641--267.073
S-(1;2-Dicarboxyethyl)glutathione-ME450994329770102--422.087
S-(2-Succinyl)-L-cysteine-ME450965---236.023


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