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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
allantoinAllantoinME458866--0.82-
taurineTaurineME459006--0.82-
lysineLysineME458950--0.85-
arginineArginineME458869--0.87-
histidineHistidineME458931--0.87-
citrullineCitrullineME458879--0.9-
thiamineThiamineME459007--0.94-
alanine/sarcosineAlanine/SarcosineME458864--1-
ornithineOrnithineME458971--1-
threonine/homoserineThreonine/HomoserineME459009--1-
UMPUMPME459016--10.32-
GMPGMPME458925--10.5-
IMPIMPME458938--10.5-
PEEPro-Glu-GluME458979--10.5-
pantothenatePantothenic acidME458976--10.69-
SID-ME459002--10.96-
dGMP/AMPdGMPME458900--11-
AcetyllysineN(2)-AcetyllysineME458859--1.1-
O-acetyl-L-serineO-AcetylserineME458968--1.1-
nicotinateNicotinic acidME458966--11.2-
SDL-ME458999--11.22-
4-hydroxyphenyllactate4-Hydroxyphenyllactic acidME458845--11.25-
dTMPdTMPME458909--11.27-
HexoseHexoseME458930--1.13-
cystathionineCystathionineME458884--1.14-
serineSerineME459001--1.14-
Nicotinic acid mononucleotideNicotinic acid mononucleotideME458967--11.44-
DLSAsp-Leu-SerME458907--11.46-
asparagineAsparagineME458870--1.15-
hydroxyproline/Aminolevulinatecis-3-HydroxyprolineME458935--1.15-
S-methyl-5'-thioadenosine5'-MethylthioadenosineME458997--11.6-
PVNFPro-Val-Asn-PheME458985--11.64-
glutamineGlutamineME458922--1.17-
succinate/Methylmalonic acidMethylmalonic acidME459004--11.72-
5-aminopentanoic acid5-Aminopentanoic acidME458849--1.18-
hypoxanthineHypoxanthineME458936--1.18-
deoxyadenosineDeoxyadenosineME458893--11.99-
dAMPdAMPME458892--12-
cytidineCytidineME458886--1.2-
DL-Pipecolic AcidPipecolic acidME458905--1.2-
2-Hydroxy-2-methylbutanedioic acidCitramalic acidME458838--12.06-
N-acetyl-L-ornithineN-AcetylornithineME458959--1.21-
riboseRiboseME458992--1.22-
N-carbamoyl-L-aspartateCarbamoylaspartateME458960--12.25-
cysteineCysteineME458885--1.23-
riboflavinRiboflavinME458991--12.56-
prolineProlineME458984--1.27-
malateMalic acidME458951--12.7-
xanthosine-5-phosphateXMPME459023--12.7-
maleic acidMaleic acidME458952--12.71-
acetylphosphateAcetylphosphateME458860--12.74-
biotinBiotinME458872--12.92-
glutathione disulfideOxidized glutathioneME458924--12.94-
cyclic-AMP3',5' cyclic AMPME458883--12.97-
acetyl-aspartateN-Acetylaspartic acidME458855--13-
D-glucarateGlucaric acidME458887--13-
a-ketoglutarate2-Oxoglutaric acidME458853--13.13-
4-phosphopantetheinePantetheine 4'-phosphateME458846--13.3-
N-acetyl-glutamateN-Acetylglutamic acidME458956--13.37-
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME459015--13.37-
6-phospho-D-gluconate6-Phosphogluconic acidME458852--13.38-
UDP-D-glucoseUDP-glucoseME459013--13.44-
fumarateFumaric acidME458917--13.49-
anthranilate2-Aminobenzoic acidME458868--13.51-
CDPCDPME458874--13.53-
3-phosphoglycerate3-Phosphoglyceric acidME458843--13.58-
dCDPdCDPME458895--13.58-
orotidine-5'-phosphateOrotidylic acidME458973--13.58-
quinolinateQuinolinic acidME458990--13.58-
citrate/isocitrateCitric acid/Isocitric acidME458878--13.6-
fructose-1-6-bisphosphateFructose 1,6-bisphosphateME458915--13.6-
Octulose Bisphosphate-ME458970--13.64-
oxaloacetateOxaloacetic acidME458974--13.64-
Sedoheptulose bisphosphateSedoheptulose 1,7-bisphosphateME459000--13.64-
ADP-D-glucoseADP-glucoseME458863--13.72-
2-oxo-4-methylthiobutanoate2-Oxo-4-methylthiobutanoic acidME458839--13.75-
UDPUDPME459012--13.81-
phosphoenolpyruvatePhosphoenolpyruvic acidME458983--13.83-
1_3-Bisphosphoglyceric acid3-Phospho-D-glyceroyl dihydrogen phosphateME458834--13.87-
2-Isopropylmalic acid2-Isopropylmalic acidME458840--13.87-
NADP+NADPME458963--13.87-
PyrophosphatePyrophosphateME458988--13.87-
GDPGDPME458918--13.9-
IDPIDPME458937--13.9-
4-phosphopantothenate(R)-4'-Phosphopantothenic acidME458847--13.94-
folateFolic acidME458914--13.99-
aconitatetrans-Aconitic acidME458861--14-
dGDP/ADPADPME458899--14-
4-Pyridoxic acid4-Pyridoxic acidME458848--14.14-
Hydroxyisocaproic acidHydroxyisocaproic acidME458934--14.14-
NADHNADHME458962--14.14-
Kynurenic acidKynurenic acidME458943--14.22-
dTDPdTDPME458908--14.41-
valineValineME459019--1.45-
FMNFMNME458913--14.54-
2_3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME458836--14.68-
UDP-D-glucuronateUDP-glucuronic acidME459014--14.68-
CTPCTPME458882--14.75-
dTTPdTTPME458910--14.75-
dGTP/ATPATPME458901--14.77-
dCTPdCTPME458897--14.8-
UTPUTPME459018--14.81-
dATPdATPME458894--14.82-
NADPHNADPHME458964--14.87-
GTPGTPME458926--14.92-
FADFADME458912--15-
Isopentyl-PP-ME458942--15.06-
5-phosphoribosyl-1-pyrophosphatePhosphoribosyl pyrophosphateME458851--15.13-
3-hydroxybutyryl-CoA-ME458841--15.6-
MMV693183-ME458830--15.9-
coenzyme ACoenzyme AME458881--15.93-
acetoacetyl-CoAAcetoacetyl-CoAME458854--15.95-
lipoateLipoic acidME458949--15.97-
acetyl-CoAAcetyl-CoAME458856--16.18-
MMV693183-Phosphate-ME458831--16.7-
Phenol RedPhenolsulfonphthaleinME458981--16.91-
succinyl-CoA/methylmalonyl-CoA-ME459005--16.93-
uridineUridineME459017--1.7-
N-acetyl-glucosamineN-AcetylglucosamineME458954--1.71-
nicotinamide mononucleotideNicotinamide ribotideME458965--1.71-
chlorpropamideChlorpropamideME459025--17.2-
MMV693183-Dephospho-ME458832--17.2-
MMV693183-CoA-ME458833--17.5-
methionineMethionineME458953--1.77-
pyridoxinePyridoxineME458986--1.8-
Guanidoacetic acidGuanidoacetic acidME458927--1.89-
D-glucosamine-1/6-phosphate-ME458889--1.9-
tyrosineTyrosineME459011--2-
isoleucineIsoleucineME458941--2.22-
AcetylcarnitineCAR 2:0ME458858--2.4-
leucineLeucineME458948--2.6-
xanthineXanthineME459021--2.69-
1-Methyladenosine1-MethyladenosineME458835--3-
Aminoadipic acidAminoadipic acidME458867--3.22-
L-arginino-succinateArgininosuccinic acidME458945--3.25-
glutamateGlutamic acidME458921--3.26-
PEEK-ME458980--3.38-
guanineGuanineME458928--3.4-
adenineAdenineME458862--3.5-
inosineInosineME458940--3.5-
KynurenineKynurenineME458944--3.6-
DLHAsp-Leu-HisME458906--3.73-
4-aminobutyrategamma-Aminobutyric acidME458844--4-
guanosineGuanosineME458929--4-
SDSer-AspME458998--4.08-
aspartateAspartic acidME458871--4.28-
Aspartate (standard)Aspartic acidME459024--4.28-
DithioerythritolDithioerythritolME458904--4.37-
phenylalaninePhenylalanineME458982--4.37-
PE-ME458978--4.55-
PDPro-AspME458977--4.68-
homocysteic acidHomocysteic acidME458932--4.8-
cCMP-ME458873--4.91-
2-dehydro-D-gluconate2-Dehydro-D-gluconic acidME458837--5-
D-gluconateGluconic acidME458888--5-
allantoateAllantoic acidME458865--5.62-
Octulose 8/1P-ME458969--6-
ribose-phosphateRibose 5-phosphateME458994--6-
VD-ME459020--6.33-
CDP-ethanolamineCDP-EthanolamineME458876--6.38-
CDP-cholineCDP-cholineME458875--6.53-
S-adenosyl-L-homocysteineS-AdenosylhomocysteineME458996--6.86-
dihydroorotate4,5-Dihydroorotic acidME458902--6.9-
glucono-lactoneGluconolactoneME458919--6.9-
Ribose-5-phosphateRibose 5-phosphateME458993--6.94-
N-acetyl-glutamineN-AcetylglutamineME458957--7-
lactateLactic acidME458946--7.28-
D-sedoheptulose-1/7-phosphate-ME458891--7.29-
N-acetyl-glucosamine-1/6-phosphate-ME458955--7.3-
sn-glycerol-3-phosphatesn-Glycero-3-phosphateME459003--7.3-
D-glyceraldehdye-3-phosphateGlyceraldehyde 3-phosphateME458890--7.35-
Acetyl-glycineN-AcetylglycineME458857--7.44-
indoleIndoleME458939--7.5-
tryptophanTryptophanME459010--7.5-
Pyroglutamic acidPyroglutamic acidME458987--7.69-
deoxyribose-phosphateDeoxyribose 5-phosphateME458898--7.74-
xanthosineXanthosineME459022--7.77-
ribulose-5-phosphateRibulose 5-phosphateME458995--7.81-
fructose-6-phosphateFructose 6-phosphateME458916--7.98-
glucose-1-phosphateGlucose 1-phosphateME458920--7.98-
EV-ME458911--7.99-
glutathioneGlutathioneME458923--8.02-
orotateOrotic acidME458972--8.1-
3-phospho-serinePhosphoserineME458842--8.2-
cGMP3',5' cyclic GMPME458877--8.2-
N-Acetyl-L-alanineN-AcetylalanineME458958--8.51-
CMPCMPME458880--8.61-
NAD+NADME458961--8.62-
LD-ME458947--8.65-
pyruvatePyruvic acidME458989--8.67-
p-aminobenzoatep-Aminobenzoic acidME458975--8.7-
5-methoxytryptophan5-MethoxytryptophanME458850--8.95-
dihydroxy-acetone-phosphateDihydroxyacetone phosphateME458903--9-
Thiamine pyrophosphateThiamine diphosphateME459008--9.56-
dCMPdCMPME458896--9.8-
HVDD-ME458933--9.83-


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