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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-Methyladenosine1-MethyladenosineME319004--3280.1051
2,3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME319001--14.68264.952
2-dehydro-D-gluconate2-Dehydro-D-gluconic acidME318980--5193.0354
2-Hydroxy-2-methylbutanedioic acidCitramalic acidME318939--12.06147.03385
2-Isopropylmalic acid2-Isopropylmalic acidME318966--13.87175.0612
2-keto-isovalerateKetoisovaleric acidME318908--13.06115.0401
2-oxo-4-methylthiobutanoate2-Oxo-4-methylthiobutanoic acidME318938--13.75147.0121
3-phosphoglycerate3-Phosphoglyceric acidME318974--13.58184.9857
3-S-methylthiopropionate3-Methyl-thiopropionic acidME318914--11.92119.0172
4-aminobutyrategamma-Aminobutyric acidME318903--4102.0561
4-hydroxyphenyllactate4-Hydroxyphenyllactic acidME318971--11.25181.0506
4-phosphopantetheinePantetheine 4'-phosphateME319022--12.14357.0891
4-phosphopantothenate(R)-4'-Phosphopantothenic acidME319008--13.94298.0697
4-Pyridoxic acid4-Pyridoxic acidME318973--14.14182.0459
acetoacetateAcetoacetic acidME318902--7.74101.0244
acetyl-aspartateN-Acetylaspartic acidME318962--13174.0408
AcetylcarnitineCAR 2:0ME318983--2.4202.1085
acetyl-CoAAcetyl-CoAME319041--16.18808.1184
Acetyl-glycineN-AcetylglycineME318909--7.44116.0353
AcetyllysineN(2)-AcetyllysineME318976--1.1187.1088
aconitatetrans-Aconitic acidME318959--14173.0092
adenosineAdenosineME319002--1.27266.0895
a-ketoglutarate2-Oxoglutaric acidME318934--13.13145.0142
alanine/sarcosineAlanine/SarcosineME318900--1.1588.0404
allantoateAllantoic acidME318965--5.62175.0473
allantoinAllantoinME318947--0.82157.0367
Aminoadipic acidAminoadipic acidME318949--3.22160.0615
arginineArginineME318961--0.87173.1044
asparagineAsparagineME318926--1.15131.0462
aspartateAspartic acidME318929--3.95132.0302
biotinBiotinME318997--12.92243.0809
CDP-ethanolamineCDP-EthanolamineME319033--6.38445.0531
Citraconic acidCitraconic acidME318919--13.29129.0193
citrate/isocitrateCitric acid/Isocitric acidME318979--13.6191.0197
citrullineCitrullineME318963--0.9174.0884
creatineCreatineME319043--1.22112.0516
CreatinineCreatinineME319044--1.33130.0622
cyclic-AMP3',5' cyclic AMPME319012--12.97328.0452
cysteineCysteineME318915--1.23120.0125
CystineCystineME319042--1.29239.0166
cytidineCytidineME318995--1.2242.0782
dAMPdAMPME319013--12330.0609
dCDPdCDPME319025--13.58386.016
deoxyribose-phosphateDeoxyribose 5-phosphateME318988--7.74213.017
deoxyuridineDeoxyuridineME318992--3.54227.0673
D-erythrose-4-phosphateErythrose 4-phosphateME318982--7.45199.0013
dGDP/ADPADPME319029--14426.0221
D-glucarateGlucaric acidME318987--13209.0303
D-gluconateGluconic acidME318981--5195.051
dGMP/AMPdGMPME319019--11346.0558
dGTP/ATPATPME319034--14.77505.9885
dihydroxy-acetone-phosphateDihydroxyacetone phosphateME318957--9168.9908
DithioerythritolDithioerythritolME318944--4.37153.0049
DL-Pipecolic AcidPipecolic acidME318918--1.2128.0717
DLSAsp-Leu-SerME319015--11.46332.1463
D-sedoheptulose-1/7-phosphate-ME319006--7.29289.033
dTDPdTDPME319027--14.41401.0157
EV-ME318998--7.99243.0986
FADFADME319040--15784.1499
folateFolic acidME319031--13.99440.1324
fructose-1-6-bisphosphateFructose 1,6-bisphosphateME319016--13.6338.9888
fumarateFumaric acidME318907--13.49115.0037
GDPGDPME319032--13.9442.017
glutamateGlutamic acidME318937--3.52146.0459
glutamineGlutamineME318935--1.17145.0619
glutathioneGlutathioneME319010--8.02306.0765
glutathione disulfideOxidized glutathioneME319038--12.94611.1447
glycerateGlyceric acidME318905--6.35105.0193
GMPGMPME319023--10.5362.0507
HexoseHexoseME318969--1.13179.0561
hexose-phosphateHexose 6-phosphateME318999--6.9259.0224
histidineHistidineME318945--0.87154.0622
homocysteic acidHomocysteic acidME318972--4.8182.0129
Hydroxyisocaproic acidHydroxyisocaproic acidME318927--14.14131.0714
Hydroxyphenylacetic acidHydroxyphenylacetic acidME318943--14.68151.0401
hydroxyproline/Aminolevulinatecis-3-HydroxyprolineME318922--1.15130.051
IDPIDPME319030--13.9427.0062
IDS-ME319014--8.38332.1463
IMPIMPME319020--10.5347.0398
indoleIndoleME318910--7.5116.05
Indole-3-carboxylic acidIndole-3-carboxylic acidME318948--14.31160.0404
inosineInosineME319003--3.5267.0735
isoleucineIsoleucineME318924--2.22130.0874
KetoleucineKetoleucineME318920--14.3129.0557
Kynurenic acidKynurenic acidME318977--14.22188.0353
KynurenineKynurenineME318986--3.6207.0775
lactateLactic acidME318901--7.2889.0244
L-arginino-succinateArgininosuccinic acidME319007--7.7289.1154
leucineLeucineME318923--2.22130.0874
lysineLysineME318936--0.85145.0983
malateMalic acidME318930--12.7133.0142
methionineMethionineME318940--1.77148.0438
MethylcysteineMethylcysteineME318931--1134.0281
myo-inositolMyo-inositolME318968--1.13179.0561
N-acetyl-glucosamineN-Acetyl-D-glucosamineME318991--1.71300.049
N-acetyl-glucosamine-1/6-phosphate-ME319009--7.3300.049
N-acetyl-glutamateN-Acetylglutamic acidME318978--13.37188.0564
N-acetyl-glutamineN-AcetylglutamineME318975--7187.0724
N-Acetyl-L-alanineN-AcetylalanineME318921--8.02130.051
N-acetyl-L-ornithineN-AcetylornithineME318960--1.21173.0932
NAD+NAD+ME319039--8.62662.1019
N-carbamoyl-L-aspartateCarbamoylaspartateME318964--12.25175.036
Octulose Bisphosphate-ME319026--13.64399.0099
ornithineOrnithineME318928--1131.0826
orotateOrotic acidME318946--8.1155.0098
orotidine-5'-phosphateOrotidylic acidME319024--13.58367.0184
oxaloacetateOxaloacetic acidME318925--13.64130.9986
p-aminobenzoatep-Aminobenzoic acidME318932--8.7136.0404
pantothenatePantothenic acidME318989--11.31218.1034
Phenol RedPhenolsulfonphthaleinME319021--16.91353.0489
phenylalaninePhenylalanineME318951--4.37164.0717
Phenyllactic acidPhenyllactic acidME318952--14.68165.0557
phenylpyruvatePhenylpyruvic acidME318950--15.1163.0401
phosphoenolpyruvatePhosphoenolpyruvic acidME318954--13.83166.9751
p-hydroxybenzoate4-Hydroxybenzoic acidME318933--10.88137.0244
prolineProlineME318906--1.27114.0561
pyridoxinePyridoxineME318956--1.8168.0666
Pyroglutamic acidPyroglutamic acidME318917--7.69128.0353
PyrophosphatePyrophosphateME318967--13.87176.936
pyruvatePyruvic acidME318899--8.6787.0088
quinolinateQuinolinic acidME318953--13.58166.0146
riboseRiboseME318941--1.22149.0455
Ribose-5-phosphateRibose 5-phosphateME318993--6.94229.0119
SDSer-AspME318990--4.08219.0623
serineSerineME318904--1.14104.0353
sn-glycerol-3-phosphatesn-Glycero-3-phosphateME318958--7.3171.0064
succinate/Methylmalonic acidMethylmalonic acidME318912--11.77117.0193
taurineTaurineME318916--0.82124.0074
TetrahydrobiopterinSapropterinME318994--1.68240.1102
thiamineThiamineME319000--0.94263.0972
thiamine-phosphateTMPME319018--11.11343.0635
threonine/homoserineThreonine/HomoserineME318913--1.19118.051
trehalose/sucrose-ME319017--1.18341.1089
tryptophanTryptophanME318984--7.5203.0826
tyrosineTyrosineME318970--2180.0666
UDPUDPME319028--13.81402.9949
UDP-D-glucoseUDP-glucoseME319035--13.44565.0478
UDP-D-glucuronateUDP-glucuronic acidME319036--14.68579.027
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME319037--13.37606.0743
UMPUMPME319011--10.32323.0286
Uric acidUric acidME318955--6.17167.0211
uridineUridineME318996--1.7243.0623
valineValineME318911--1.18116.0717
xanthineXanthineME318942--2.69151.0262
xanthosineXanthosineME319005--7.77283.0684
Xanthurenic acidXanthurenic acidME318985--14.14204.0302


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