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Analysis: Normal phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2,3-Dihydroxy-2-methylpentanoate-ME738463--1.09148.074
2'-deoxyadenosineDeoxyadenosineME738465--10.77251.102
2-Deoxy-D-Ribose2-Deoxy-riboseME738466--1.12134.058
2'-Deoxy-GuanosineDeoxyguanosineME738464--2.57267.099
2-OxoisocaproateKetoleucineME738467--0.96130.066
2-Oxoisovalerate-ME738468--0.99116.047
3-Deoxy-arabino-heptulonate 7-phosphate-ME738469--2.06288.024
3-Methyl-2-oxopentanoate3-Methyl-2-oxovaleric acidME738470--0.96130.066
4-Acetylaminobutanal-ME738471--11.23129.078
5-Oxo-prolinePyroglutamic acidME738472--1.39129.046
AcetolactateAcetolactateME738473--1.03132.043
AdenosineAdenosineME738474--2.57267.099
Adenosine diphosphate (ADP)-ME738475--13.65427.03
Adenosine monophosphate (AMP)AMPME738476--7.64347.063
AICARAICARME738477--4.91338.07
AlanineAlanineME738478--4.6389.049
Alpha-Ketoglutaric acid2-Oxoglutaric acidME738479--1.05146.025
ArabinoseArabinoseME738480--1.46150.053
asparagineAsparagineME738481--7.11132.053
Aspartate 4-semialdehyde-ME738482--1.37117.044
Cis-aconitatecis-Aconitic acidME738483--0.9174.016
Citric acidCitric acidME738484--1.08192.03
Cytidine diphosphate (CDP)CDPME738485--13.43403.021
Cytidine monophosphate (CMP)CMPME738486--8.36323.051
D-ala-D-alaD-Alanyl-D-AlanineME738487--4.86160.085
deoxyguanosineDeoxyguanosineME738488--2.57267.099
Dihydroxy-3-methylvalerate-ME738489--1.09148.074
D-MannitolMannitolME738490--2.74182.082
erythro-4-Hydroxyglutamate-ME738491--2.34163.049
GalactitolGalactitolME738492--2.74182.082
GalactonateGalactonic acidME738493--1.69196.059
Glucono-1,5-lactone 6-phosphate-ME738494--9.53258.014
Glutamic acidGlutamic acidME738495--4.79147.055
glutamineGlutamineME738496--7.47146.069
GlutamylcysteineGlu-CysME738497--1.43250.069
GlycerateGlyceric acidME738498--1.25106.027
GlycineGlycineME738499--5.8375.032
GMPGMPME738500--8.37407.014
Guanosine diphosphate (GDP)GDPME738501--13.09443.026
HexoseHexoseME738502--1.68180.066
Hexose diphosphate-ME738503--2.43340.005
Hexose phosphatesGlucose 6-phosphateME738504--4.52260.031
HomocitrateHomocitric acidME738505--1.06206.045
HomocysteineHomocysteineME738506--10.96135.039
HomovanillateHomovanillic acidME738507--1.05182.061
HomovanillinHomovanillinME738508--1166.063
Inosine-5'-monophosphateIMPME738509--4.58348.03
Isopropylmalate-ME738510--1.05176.069
lactateLactic acidME738511--1.1290.035
L-Ascorbic acidVitamin CME738512--1.05176.03
malateMalic acidME738513--1.09134.023
Methylcitrate-ME738514--1.06206.045
methylmalate-ME738515--1.08148.04
methylmaleate-ME738516--1.08130.029
N-acetyl-2,4-diaminobutanoate-ME738517--4.86160.085
Pantoate(R)-Pantoic acidME738518--1.09148.075
PhenylpyruvatePhenylpyruvic acidME738519--1.05164.049
phophoenolpyruvate-ME738520--1.7167.986
Phosphoribosyl-AMP-ME738521--11.77559.068
Propionyladenylate-ME738522--2.08403.089
PyruvatePyruvic acidME738523--1.0888.019
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME738524--4.57290.041
succinateSuccinic acidME738525--1.06118.03
succinate semialdehydeSuccinic acid semialdehydeME738526--1.05102.033
UDPUDPME738527--12.62404.006
UDP-acetylmuramate (UDP-MurNAc)-ME738528--9.75679.099
UDPGlcNAcUDP-N-acetylglucosamineME738529--10.51607.08
UDP-hexoseUDP-hexoseME738530--10.44566.044
UMPUMPME738531--2.87324.038
XanthineXanthineME738532--1.59152.035


Analysis: Normal phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2,6-Diaminopimelic Acid2,6-Diaminopimelic acidME738533--11.24190.097
5-Methylthioadenosine5'-MethylthioadenosineME738534--12.62297.093
Acetylhomoserine-ME738535--1.37161.069
Acetyl-L-glutamate 5-semialdehyde-ME738536--11.24173.072
AcetylornithineN-AcetylornithineME738537--8.22174.1
AdenineAdenineME738538--8.62135.053
Anthranilic acid2-Aminobenzoic acidME738539--1.04137.049
ArginineArginineME738540--11.69174.115
Aspartic acidAspartic acidME738541--4.71133.039
ATPATPME738542--13.38507.004
beta-Nicotinamide adenine dinucleotideNADME738543--12.14664.112
CitrullineCitrullineME738544--8.33175.097
Cyclic Adenisone 3',5' mono phosphate-ME738545--4.71329.055
Deoxyguanosine triphosphate (dGTP)dGTPME738546--13.38507.005
D-Glycero-D-Manopyranose-7-Phosphate-ME738547--5.77290.045
Dimethylmalate-ME738548--5.01162.048
D-Ribose-5'- monophosphate-ME738549--8.26230.029
Erythrose 4-phosphateErythrose 4-phosphateME738550--1.93200.01
Formyl-methionineN-FormylmethionineME738551--3.11177.05
Fucose 1-phosphateFucose 1-phosphateME738552--4.61244.037
FumarateFumaric acidME738553--10.84116.011
Galactono-1,4-lactone-ME738554--3.09178.055
GalactosylglycerolGalactosylglycerolME738555--7.26254.094
gamma-AminoButyric Acid (GABA)gamma-Aminobutyric acidME738556--4.88103.065
gamma-Glutamyl-beta-cyanoalaninegamma-Glutamyl-beta-cyanoalanineME738557--2.77243.084
GlcNAcN-Acetyl-D-galactosamine 4-sulphateME738558--2.56221.095
GlcNAc-Ins-P-ME738559--5.86461.096
Glucosamine-6-phosphateGlucosamine 6-phosphateME738560--8.23259.051
Glutathione OxidizedGlutathioneME738561--10.74612.151
Glutathione reducedGlutathioneME738562--10.75307.079
glyceraldehyde3p/DHAP-ME738563--1.63169.998
Glyoxylic acidGlyoxylic acidME738564--12.474.004
GuanineGuanineME738565--4.48151.051
GuanosineGuanosineME738566--2.67283.095
HistidineHistidineME738567--11.6155.072
HomoserineHomoserineME738568--5.95119.058
HypoxanthineHypoxanthineME738569--2.18136.042
Imidazole acetaldehyde-ME738570--4.55110.044
L-LeucineLeucineME738571--4.22131.097
L-TryptophanTryptophanME738572--4.63204.092
lysineLysineME738573--11.82146.108
Manninotriose-ME738574--6.28504.169
Mannosylglycerate-ME738575--2.09268.084
MethionineMethionineME738576--4.57149.054
Methionine SulfoxideMethionine sulfoxideME738577--9.15165.047
MethylglyoxalPyruvaldehydeME738578--12.4272.022
MethylhistidineMethylhistidineME738579--1.08169.084
N-Acetyl-D-glucosamine phosphate-ME738580--8.38301.07
NE-acetyl-L-lysine-ME738581--8.09188.116
N'-FormylkynurenineN-Formyl-L-kynurenineME738582--4.62236.083
Nicotinic acidNicotinic acidME738583--1.81123.033
OrnithineOrnithineME738584--11.74132.093
PhenylalaninePhenylalanineME738585--4.65165.082
Phosphopantothenate-ME738586--1.78299.081
ProlineProlineME738587--6.99115.065
Propanoyl phosphatePropanoyl phosphateME738588--2.06154.005
Pyrrole-2-carboxylatePyrrole-2-carboxylic acidME738589--5.79111.03
S-(5'-adenosyl) methionine chloride dihydrochlorid...-ME738590--8.22506.076
SaccharopineSaccharopineME738591--10.91276.134
S-AdenosylmethionineS-AdenosylmethionineME738592--12.62398.142
SerineSerineME738593--6.16105.043
Succinyl-2,6-diamonipimelate-ME738594--11.15290.123
ThreonineThreonineME738595--5.96119.058
TyrosineTyrosineME738596--4.69181.077
UreaUreaME738597--1.8760.035
ValineValineME738598--4.67117.081


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