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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
2_3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME478749--14.68-
3-phosphoglycerate3-Phosphoglyceric acidME478727--13.58-
3-phospho-serinePhosphoserineME478726--8.2-
4-aminobutyrategamma-Aminobutyric acidME478684--4-
4-phosphopantetheinePantetheine 4'-phosphateME478765--13.3-
4-phosphopantothenate(R)-4'-Phosphopantothenic acidME478754--13.94-
4-Pyridoxic acid4-Pyridoxic acidME478725--14.14-
5-phosphoribosyl-1-pyrophosphatePhosphoribosyl pyrophosphateME478773--15.13-
6-phospho-D-gluconate6-Phosphogluconic acidME478750--13.38-
acetyl-aspartateN-Acetylaspartic acidME478719--13-
acetyl-CoAAcetyl-CoAME478809--16.18-
AcetyllysineN(2)-AcetyllysineME478729--1.1-
ADP-D-glucoseADP-glucoseME478799--13.72-
a-ketoglutarate2-Oxoglutaric acidME478705--13.13-
alanine/sarcosineAlanine/SarcosineME478682--1-
arginineArginineME478718--0.87-
asparagineAsparagineME478700--1.15-
aspartateAspartic acidME478702--4.28-
aspartate (standard)Aspartic acidME478679--4.46-
Asp-Leu-His (DLH)Asp-Leu-HisME478770--3.73-
Asp-Leu-Ser (DLS)Asp-Leu-SerME478764--11.46-
CDPCDPME478776--13.53-
CDP-cholineCDP-cholineME478792--6.53-
CDP-ethanolamineCDP-EthanolamineME478783--6.38-
chlorpropamideChlorpropamideME478680--17.2-
citrate/isocitrateCitric acid/Isocitric acidME478731--13.6-
CMPCMPME478760--8.61-
coenzyme ACoenzyme AME478807--15.93-
CTPCTPME478789--14.75-
cyclic-AMP3',5' cyclic AMPME478762--12.97-
CystineCystineME478742--1.29-
cytidineCytidineME478743--1.2-
dAMPdAMPME478763--12-
dATPdATPME478793--14.82-
dCDPdCDPME478772--13.58-
dCMPdCMPME478756--9.8-
dCTPdCTPME478785--14.8-
Decanoyl-CoADecanoyl-CoAME478811--19.35-
dGDP/ADPADPME478779--14-
D-glucarateGlucaric acidME478735--13-
D-gluconateGluconic acidME478732--5-
D-glyceraldehdye-3-phosphateGlyceraldehyde 3-phosphateME478715--7.35-
dGTP/ATPATPME478795--14.77-
dihydroorotate4,5-Dihydroorotic acidME478712--6.9-
DL-Pipecolic AcidPipecolic acidME478695--1.2-
D-sedoheptulose-1/7-phosphate-ME478752--7.29-
dTDPdTDPME478775--14.41-
dTMPdTMPME478759--11.27-
dTTPdTTPME478788--14.75-
dUTPdUTPME478786--14.81-
FADFADME478808--15-
FMNFMNME478784--14.54-
folateFolic acidME478781--13.99-
fructose-6-phosphateFructose 6-phosphateME478746--7.98-
fumarateFumaric acidME478687--13.49-
GDPGDPME478782--13.9-
glucono-lactoneGluconolactoneME478722--6.9-
glutamateGlutamic acidME478708--3.26-
glutamineGlutamineME478706--1.17-
glutathioneGlutathioneME478757--8.02-
glutathione disulfideOxidized glutathioneME478801--12.94-
GMPGMPME478766--10.5-
GTPGTPME478796--14.92-
guanineGuanineME478711--3.4-
HexoseHexoseME478723--1.13-
hexose-phosphateHexose 6-phosphateME478747--7-
His-Val-Asp-Asp (HVDD)-ME478791--9.83-
hydroxyproline/Aminolevulinatecis-3-HydroxyprolineME478696--1.15-
hypoxanthineHypoxanthineME478704--1.18-
IDPIDPME478780--13.9-
isoleucineIsoleucineME478698--2.22-
lactateLactic acidME478683--7.28-
L-arginino-succinateArgininosuccinic acidME478753--3.25-
Leu-Asp (LD)Leu-AspME478745--8.65-
leucineLeucineME478699--2.6-
lysineLysineME478707--0.85-
malateMalic acidME478703--12.7-
maleic acidMaleic acidME478688--12.71-
methionineMethionineME478709--1.77-
Myristoyl/tetradecanoyl-CoAMyristoyl-CoAME478812--21.8-
N-acetyl-glucosamine-1/6-phosphate-ME478755--7.3-
N-acetyl-glutamateN-Acetylglutamic acidME478730--13.37-
N-acetyl-glutamineN-AcetylglutamineME478728--7-
N-Acetyl-L-alanineN-AcetylalanineME478697--8.51-
N-acetyl-L-ornithineN-AcetylornithineME478717--1.21-
NAD+NAD+ME478802--8.62-
NADHNADHME478803--14.14-
NADP+NADP+ME478805--13.87-
NADPHNADPHME478806--14.87-
N-carbamoyl-L-aspartateCarbamoylaspartateME478720--12.25-
nicotinateNicotinic acidME478692--11.2-
Octulose 8/1P-ME478758--6-
Octulose Bisphosphate-ME478774--13.64-
ornithineOrnithineME478701--1-
Phenol RedPhenolsulfonphthaleinME478681--16.91-
phenylalaninePhenylalanineME478713--4.37-
phosphoenolpyruvatePhosphoenolpyruvic acidME478714--13.83-
Pro-Asp (PD)Pro-AspME478740--4.68-
Pro-Glu-Glu-Lys (PEEK)-ME478794--3.38-
Pro-Glu-Glu (PEE)Pro-Glu-GluME478769--10.5-
Pro-Glu (PE)Pro-GluME478744--4.55-
prolineProlineME478686--1.27-
Pro-Val-Asn-Phe (PVNF)Pro-Val-Asn-PheME478787--11.64-
Pyroglutamic acidPyroglutamic acidME478694--7.69-
PyrophosphatePyrophosphateME478721--13.87-
riboseRiboseME478710--1.22-
Ribose-5-phosphateRibose 5-phosphateME478738--6.94-
ribose-phosphateRibose 5-phosphateME478737--6-
ribulose-5-phosphateRibulose 5-phosphateME478739--7.81-
S-adenosyl-L-homocysteineS-AdenosylhomocysteineME478771--6.86-
Sedoheptulose bisphosphateSedoheptulose 1,7-bisphosphateME478768--13.64-
Ser-Asp (SD)Ser-AspME478736--4.08-
serineSerineME478685--1.14-
sn-glycerol-3-phosphatesn-Glycero-3-phosphateME478716--7.3-
succinate/Methylmalonic acidMethylmalonic acidME478690--11.72-
succinyl-CoA/methylmalonyl-CoA-ME478810--16.93-
thiamineThiamineME478748--1.55-
Thiamine pyrophosphateThiamine diphosphateME478778--9.31-
threonine/homoserineThreonine/HomoserineME478691--1-
thymineThymineME478693--2.6-
tryptophanTryptophanME478733--7.5-
tyrosineTyrosineME478724--2-
UDPUDPME478777--13.81-
UDP-D-glucoseUDP-glucoseME478797--13.44-
UDP-D-glucuronateUDP-glucuronic acidME478798--14.68-
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME478800--13.37-
UMPUMPME478761--10.32-
UTPUTPME478790--14.81-
Val-Asp-Pro-Val-Asn-Phe (VDPVNF)-ME478804--16.38-
Val-Asp (VD)Val-AspME478741--6.33-
valineValineME478689--1.45-
xanthosineXanthosineME478751--7.77-
xanthosine-5-phosphateXMPME478767--12.7-
Xanthurenic acidXanthurenic acidME478734--14.14-


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_3-Bisphosphoglyceric acid3-Phospho-D-glyceroyl dihydrogen phosphateME478890--13.87-
3-phosphoglycerate3-Phosphoglyceric acidME478868--13.58-
3-phospho-serinePhosphoserineME478867--8.2-
4-aminobutyrategamma-Aminobutyric acidME478818--4-
4-phosphopantetheinePantetheine 4'-phosphateME478916--13.3-
4-phosphopantothenate(R)-4'-Phosphopantothenic acidME478897--13.94-
4-Pyridoxic acid4-Pyridoxic acidME478866--14.14-
5-phosphoribosyl-1-pyrophosphatePhosphoribosyl pyrophosphateME478924--15.13-
6-phospho-D-gluconate6-Phosphogluconic acidME478892--13.38-
acetyl-aspartateN-Acetylaspartic acidME478859--13-
acetyl-CoAAcetyl-CoAME478959--16.18-
AcetyllysineN(2)-AcetyllysineME478870--1.1-
acetylphosphateAcetylphosphateME478839--12.74-
aconitatetrans-Aconitic acidME478856--14-
ADP-D-glucoseADP-glucoseME478949--13.72-
a-ketoglutarate2-Oxoglutaric acidME478840--13.13-
alanine/sarcosineAlanine/SarcosineME478816--1-
arginineArginineME478858--0.87-
Asp-Ala-Leu (DAL)Asp-Ala-LeuME478901--13-
asparagineAsparagineME478833--1.15-
aspartateAspartic acidME478835--4.28-
aspartate (standard)Aspartic acidME478813--4.46-
Asp-Leu-His (DLH)Asp-Leu-HisME478921--3.73-
Asp-Leu-Ser (DLS)Asp-Leu-SerME478909--11.46-
CDPCDPME478927--13.53-
CDP-cholineCDP-cholineME478942--6.53-
CDP-ethanolamineCDP-EthanolamineME478934--6.38-
chlorpropamideChlorpropamideME478814--17.2-
citrate/isocitrateCitric acid/Isocitric acidME478872--13.6-
CMPCMPME478904--8.61-
coenzyme ACoenzyme AME478957--15.93-
CTPCTPME478939--14.75-
cyclic-AMP3',5' cyclic AMPME478906--12.97-
CystineCystineME478883--1.29-
cytidineCytidineME478884--1.2-
dAMPdAMPME478907--12-
dATPdATPME478943--14.82-
dCDPdCDPME478923--13.58-
dCMPdCMPME478899--9.8-
dCTPdCTPME478936--14.8-
Decanoyl-CoADecanoyl-CoAME478963--19.35-
dGDP/ADPADPME478930--14-
D-glucarateGlucaric acidME478875--13-
D-gluconateGluconic acidME478873--5-
dGMP/AMPdGMPME478914--11-
dGTP/ATPATPME478945--14.77-
dihydroorotate4,5-Dihydroorotic acidME478850--6.9-
dihydroxy-acetone-phosphateDihydroxyacetone phosphateME478854--9-
DL-Pipecolic AcidPipecolic acidME478828--1.2-
D-sedoheptulose-1/7-phosphate-ME478895--7.29-
dTDPdTDPME478926--14.41-
dTMPdTMPME478903--11.27-
dTTPdTTPME478938--14.75-
FADFADME478958--15-
FMNFMNME478935--14.54-
folateFolic acidME478932--13.99-
fructose-1-6-bisphosphateFructose 1,6-bisphosphateME478912--13.6-
fumarateFumaric acidME478821--13.49-
GDPGDPME478933--13.9-
glucono-lactoneGluconolactoneME478862--6.9-
glucose-1-phosphateGlucose 1-phosphateME478887--7.98-
glutamateGlutamic acidME478844--3.26-
glutamineGlutamineME478842--1.17-
glutathioneGlutathioneME478900--8.02-
glutathione disulfideOxidized glutathioneME478951--12.94-
GMPGMPME478917--10.5-
GTPGTPME478946--14.92-
guanineGuanineME478847--3.4-
HexoseHexoseME478863--1.13-
hexose-phosphateHexose 6-phosphateME478888--7-
histidineHistidineME478848--0.87-
His-Val-Asp-Asp (HVDD)-ME478941--9.83-
hydroxyproline/Aminolevulinatecis-3-HydroxyprolineME478829--1.15-
hypoxanthineHypoxanthineME478837--1.18-
IDPIDPME478931--13.9-
IMPIMPME478915--10.5-
isoleucineIsoleucineME478831--2.22-
lactateLactic acidME478817--7.28-
L-arginino-succinateArgininosuccinic acidME478896--3.25-
Leu-Asp (LD)Leu-AspME478886--8.65-
leucineLeucineME478832--2.6-
lysineLysineME478843--0.85-
malateMalic acidME478836--12.7-
maleic acidMaleic acidME478822--12.71-
methionineMethionineME478845--1.77-
myo-inositolMyo-inositolME478864--7.2-
Myristoyl/tetradecanoyl-CoAMyristoyl-CoAME478964--21.8-
N-acetyl-glucosamine-1/6-phosphate-ME478898--7.3-
N-acetyl-glutamateN-Acetylglutamic acidME478871--13.37-
N-acetyl-glutamineN-AcetylglutamineME478869--7-
N-Acetyl-L-alanineN-AcetylalanineME478830--8.51-
N-acetyl-L-ornithineN-AcetylornithineME478857--1.21-
NAD+NAD+ME478952--8.62-
NADHNADHME478953--14.14-
NADP+NADP+ME478955--13.87-
NADPHNADPHME478956--14.87-
N-carbamoyl-L-aspartateCarbamoylaspartateME478860--12.25-
nicotinamide mononucleotideNicotinamide ribotideME478910--1.71-
nicotinateNicotinic acidME478826--11.2-
Nicotinic acid mononucleotideNicotinic acid mononucleotideME478911--11.44-
Octanoyl-CoAOctanoyl-CoAME478962--18.72-
Octulose 8/1P-ME478902--6-
Octulose Bisphosphate-ME478925--13.64-
ornithineOrnithineME478834--1-
orotateOrotic acidME478849--8.1-
p-aminobenzoatep-Aminobenzoic acidME478838--8.7-
pantetheinePantetheineME478893--9.49-
pantothenatePantothenic acidME478876--10.69-
Phenol RedPhenolsulfonphthaleinME478815--16.91-
Phenylacetyl-CoAPhenylacetyl-CoAME478961--17.78-
phenylalaninePhenylalanineME478851--4.37-
Phenylpropiolic acidPhenylpropiolic acidME478841--15.2-
phosphoenolpyruvatePhosphoenolpyruvic acidME478852--13.83-
Pro-Asp (PD)Pro-AspME478881--4.68-
Pro-Glu-Glu-Lys (PEEK)-ME478944--3.38-
Pro-Glu-Glu (PEE)Pro-Glu-GluME478920--10.5-
Pro-Glu (PE)Pro-GluME478885--4.55-
prolineProlineME478820--1.27-
Pro-Val-Asn-Phe (PVNF)Pro-Val-Asn-PheME478937--11.64-
pyridoxinePyridoxineME478853--1.8-
Pyroglutamic acidPyroglutamic acidME478827--7.69-
PyrophosphatePyrophosphateME478861--13.87-
riboseRiboseME478846--1.22-
Ribose-5-phosphateRibose 5-phosphateME478879--6.94-
Ribose-5-S-homocysteineS-RibosylhomocysteineME478891--0.68-
ribose-phosphateRibose 5-phosphateME478878--6-
ribulose-5-phosphateRibulose 5-phosphateME478880--7.81-
S-adenosyl-L-homocysteineS-AdenosylhomocysteineME478922--6.86-
Sedoheptulose bisphosphateSedoheptulose 1,7-bisphosphateME478919--13.64-
Ser-Asp (SD)Ser-AspME478877--4.08-
Ser-Ile-Asp (SID)Ser-Ile-AspME478908--10.96-
serineSerineME478819--1.14-
sn-glycerol-3-phosphatesn-Glycero-3-phosphateME478855--7.3-
succinate/Methylmalonic acidMethylmalonic acidME478824--11.72-
succinyl-CoA/methylmalonyl-CoA-ME478960--16.93-
thiamineThiamineME478889--1.55-
thiamine-phosphateTMPME478913--1.8-
Thiamine pyrophosphateThiamine diphosphateME478929--9.31-
threonine/homoserineThreonine/HomoserineME478825--1-
tryptophanTryptophanME478874--7.5-
tyrosineTyrosineME478865--2-
UDPUDPME478928--13.81-
UDP-D-glucoseUDP-glucoseME478947--13.44-
UDP-D-glucuronateUDP-glucuronic acidME478948--14.68-
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME478950--13.37-
UMPUMPME478905--10.32-
UTPUTPME478940--14.81-
Val-Asp-Pro-Val-Asn-Phe (VDPVNF)-ME478954--16.38-
Val-Asp (VD)Val-AspME478882--6.33-
valineValineME478823--1.45-
xanthosineXanthosineME478894--7.77-
xanthosine-5-phosphateXMPME478918--12.7-


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
2_3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME479032--14.68-
2-Hydroxy-2-methylbutanedioic acidCitramalic acidME478995--12.06-
3-phosphoglycerate3-Phosphoglyceric acidME479014--13.58-
3-phospho-serinePhosphoserineME479013--8.2-
4-aminobutyrategamma-Aminobutyric acidME478970--4-
4-phosphopantetheinePantetheine 4'-phosphateME479052--13.3-
4-phosphopantothenate(R)-4'-Phosphopantothenic acidME479038--13.94-
5-phosphoribosyl-1-pyrophosphatePhosphoribosyl pyrophosphateME479062--15.13-
6-phospho-D-gluconate6-Phosphogluconic acidME479033--13.38-
acetyl-aspartateN-Acetylaspartic acidME479009--13-
acetyl-CoAAcetyl-CoAME479093--16.18-
AcetyllysineN(2)-AcetyllysineME479015--1.1-
aconitatetrans-Aconitic acidME479006--14-
adenineAdenineME478988--3.5-
ADP-D-glucoseADP-glucoseME479084--13.72-
a-ketoglutarate2-Oxoglutaric acidME478991--13.13-
arginineArginineME479008--0.87-
asparagineAsparagineME478985--1.15-
aspartateAspartic acidME478986--4.28-
aspartate (standard)Aspartic acidME478965--4.46-
Asp-Leu-His (DLH)Asp-Leu-HisME479059--3.73-
Asp-Leu-Ser (DLS)Asp-Leu-SerME479048--11.46-
cCMP-ME479040--4.91-
CDPCDPME479065--13.53-
CDP-ethanolamineCDP-EthanolamineME479070--6.38-
chlorpropamideChlorpropamideME478966--17.2-
citrate/isocitrateCitric acid/Isocitric acidME479017--13.6-
CMPCMPME479045--8.61-
coenzyme ACoenzyme AME479091--15.93-
CTPCTPME479075--14.75-
cytidineCytidineME479028--1.2-
dAMPdAMPME479047--12-
dATPdATPME479078--14.82-
dCDPdCDPME479061--13.58-
dCMPdCMPME479041--9.8-
dCTPdCTPME479072--14.8-
dGDP/ADPADPME479067--14-
D-gluconateGluconic acidME479018--5-
dGMP/AMPdGMPME479050--11-
dGTP/ATPATPME479080--14.77-
dihydroorotate4,5-Dihydroorotic acidME479000--6.9-
dihydroxy-acetone-phosphateDihydroxyacetone phosphateME479004--9-
DL-Pipecolic AcidPipecolic acidME478980--1.2-
D-sedoheptulose-1/7-phosphate-ME479035--7.29-
dTDPdTDPME479064--14.41-
dTMPdTMPME479044--11.27-
dTTPdTTPME479074--14.75-
FADFADME479092--15-
FMNFMNME479071--14.54-
folateFolic acidME479068--13.99-
fructose-6-phosphateFructose 6-phosphateME479030--7.98-
fumarateFumaric acidME478974--13.49-
GDPGDPME479069--13.9-
glutamateGlutamic acidME478994--3.26-
glutamineGlutamineME478992--1.17-
glutathioneGlutathioneME479042--8.02-
glutathione disulfideOxidized glutathioneME479086--12.94-
glycerateGlyceric acidME478972--6.35-
GMPGMPME479053--10.5-
GTPGTPME479081--14.92-
guanineGuanineME478997--3.4-
HexoseHexoseME479011--1.13-
histidineHistidineME478998--0.87-
His-Val-Asp-Asp (HVDD)-ME479077--9.83-
hydroxyproline/Aminolevulinatecis-3-HydroxyprolineME478981--1.15-
hypoxanthineHypoxanthineME478989--1.18-
IMPIMPME479051--10.5-
isoleucineIsoleucineME478984--2.22-
lactateLactic acidME478969--7.28-
L-arginino-succinateArgininosuccinic acidME479036--3.25-
leucineLeucineME478983--2.6-
lysineLysineME478993--0.85-
malateMalic acidME478987--12.7-
maleic acidMaleic acidME478975--12.71-
methionineMethionineME478996--1.77-
N-acetyl-glucosamine-1/6-phosphate-ME479039--7.3-
N-acetyl-glutamateN-Acetylglutamic acidME479016--13.37-
N-Acetyl-L-alanineN-AcetylalanineME478982--8.51-
N-acetyl-L-ornithineN-AcetylornithineME479007--1.21-
NAD+NAD+ME479087--8.62-
NADHNADHME479088--14.14-
NADP+NADP+ME479089--13.87-
NADPHNADPHME479090--14.87-
N-carbamoyl-L-aspartateCarbamoylaspartateME479010--12.25-
nicotinateNicotinic acidME478979--11.2-
Octulose 8/1P-ME479043--6-
Octulose Bisphosphate-ME479063--13.64-
orotateOrotic acidME478999--8.1-
orotidine-5'-phosphateOrotidylic acidME479055--13.58-
p-aminobenzoatep-Aminobenzoic acidME478990--8.7-
pantothenatePantothenic acidME479020--10.69-
Phenol RedPhenolsulfonphthaleinME478967--16.91-
phenylalaninePhenylalanineME479001--4.37-
phosphoenolpyruvatePhosphoenolpyruvic acidME479002--13.83-
prephenatePrephenic acidME479022--13.87-
Pro-Asp (PD)Pro-AspME479026--4.68-
Pro-Glu-Glu-Lys (PEEK)-ME479079--3.38-
Pro-Glu-Glu (PEE)Pro-Glu-GluME479057--10.5-
Pro-Glu (PE)Pro-GluME479029--4.55-
prolineProlineME478973--1.27-
Pro-Val-Asn-Phe (PVNF)Pro-Val-Asn-PheME479073--11.64-
pyridoxinePyridoxineME479003--1.8-
pyruvatePyruvic acidME478968--8.67-
riboflavinRiboflavinME479058--12.56-
Ribose-5-phosphateRibose 5-phosphateME479025--6.94-
ribose-phosphateRibose 5-phosphateME479024--6-
ribulose-5-phosphateRibulose 5-phosphateME479023--7.81-
S-adenosyl-L-homocysteineS-AdenosylhomocysteineME479060--6.86-
Sedoheptulose bisphosphateSedoheptulose 1,7-bisphosphateME479056--13.64-
Ser-Asp-Leu (SDL)Ser-Asp-LeuME479049--11.22-
Ser-Asp (SD)Ser-AspME479021--4.08-
serineSerineME478971--1.14-
S-methyl-5'-thioadenosine5'-MethylthioadenosineME479037--11.6-
sn-glycerol-3-phosphatesn-Glycero-3-phosphateME479005--7.3-
succinate/Methylmalonic acidMethylmalonic acidME478977--11.72-
succinyl-CoA/methylmalonyl-CoA-ME479094--16.93-
thiamineThiamineME479031--1.55-
threonine/homoserineThreonine/HomoserineME478978--1-
tryptophanTryptophanME479019--7.5-
tyrosineTyrosineME479012--2-
UDPUDPME479066--13.81-
UDP-D-glucoseUDP-glucoseME479082--13.44-
UDP-D-glucuronateUDP-glucuronic acidME479083--14.68-
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME479085--13.37-
UMPUMPME479046--10.32-
UTPUTPME479076--14.81-
Val-Asp (VD)Val-AspME479027--6.33-
valineValineME478976--1.45-
xanthosineXanthosineME479034--7.77-
xanthosine-5-phosphateXMPME479054--12.7-


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
2_3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME479167--14.68-
2-Hydroxy-2-methylbutanedioic acidCitramalic acidME479125--12.06-
3-phosphoglycerate3-Phosphoglyceric acidME479144--13.58-
3-phospho-serinePhosphoserineME479143--8.2-
4-aminobutyrategamma-Aminobutyric acidME479100--4-
4-phosphopantothenate(R)-4'-Phosphopantothenic acidME479174--13.94-
4-Pyridoxic acid4-Pyridoxic acidME479142--14.14-
5-phosphoribosyl-1-pyrophosphatePhosphoribosyl pyrophosphateME479199--15.13-
6-phospho-D-gluconate6-Phosphogluconic acidME479169--13.38-
acetyl-aspartateN-Acetylaspartic acidME479137--13-
acetyl-CoAAcetyl-CoAME479231--16.18-
AcetyllysineN(2)-AcetyllysineME479146--1.1-
aconitatetrans-Aconitic acidME479135--14-
adenineAdenineME479118--3.5-
ADP-D-glucoseADP-glucoseME479222--13.72-
a-ketoglutarate2-Oxoglutaric acidME479121--13.13-
alanine/sarcosineAlanine/SarcosineME479098--1-
anthranilate2-Aminobenzoic acidME479120--13.51-
asparagineAsparagineME479115--1.15-
aspartateAspartic acidME479116--4.28-
aspartate (standard)Aspartic acidME479095--4.46-
Asp-Leu-His (DLH)Asp-Leu-HisME479196--3.73-
Asp-Leu-Ser (DLS)Asp-Leu-SerME479185--11.46-
biotinBiotinME479162--12.92-
CDPCDPME479202--13.53-
CDP-cholineCDP-cholineME479215--6.53-
CDP-ethanolamineCDP-EthanolamineME479207--6.38-
chlorpropamideChlorpropamideME479096--17.2-
Citraconic acidCitraconic acidME479110--13.29-
citrate/isocitrateCitric acid/Isocitric acidME479148--13.6-
CMPCMPME479180--8.61-
coenzyme ACoenzyme AME479229--15.93-
CTPCTPME479212--14.75-
cytidineCytidineME479161--1.2-
dAMPdAMPME479182--12-
dATPdATPME479216--14.82-
dCDPdCDPME479198--13.58-
dCMPdCMPME479176--9.8-
dCTPdCTPME479209--14.8-
dGDP/ADPADPME479204--14-
D-glucarateGlucaric acidME479152--13-
D-gluconateGluconic acidME479149--5-
dGMP/AMPdGMPME479187--11-
dGTP/ATPATPME479218--14.77-
dihydroorotate4,5-Dihydroorotic acidME479130--6.9-
dihydroxy-acetone-phosphateDihydroxyacetone phosphateME479133--9-
DL-Pipecolic AcidPipecolic acidME479109--1.2-
D-sedoheptulose-1/7-phosphate-ME479172--7.29-
dTDPdTDPME479201--14.41-
dTMPdTMPME479179--11.27-
dTTPdTTPME479211--14.75-
FADFADME479230--15-
FMNFMNME479208--14.54-
folateFolic acidME479205--13.99-
fructose-1-6-bisphosphateFructose 1,6-bisphosphateME479186--13.6-
fructose-6-phosphateFructose 6-phosphateME479165--7.98-
fumarateFumaric acidME479103--13.49-
GDPGDPME479206--13.9-
glutamateGlutamic acidME479124--3.26-
glutamineGlutamineME479122--1.17-
glutathioneGlutathioneME479177--8.02-
glutathione disulfideOxidized glutathioneME479224--12.94-
GMPGMPME479190--10.5-
GTPGTPME479219--14.92-
guanineGuanineME479127--3.4-
guanosineGuanosineME479170--4-
HexoseHexoseME479139--1.13-
histidineHistidineME479128--0.87-
His-Val-Asp-Asp (HVDD)-ME479214--9.83-
hydroxyproline/Aminolevulinatecis-3-HydroxyprolineME479111--1.15-
hypoxanthineHypoxanthineME479119--1.18-
IMPIMPME479188--10.5-
inosineInosineME479168--3.5-
isoleucineIsoleucineME479114--2.22-
KynurenineKynurenineME479151--3.6-
lactateLactic acidME479099--7.28-
L-arginino-succinateArgininosuccinic acidME479173--3.25-
Leu-Asp (LD)Leu-AspME479164--8.65-
leucineLeucineME479113--2.6-
lysineLysineME479123--0.85-
malateMalic acidME479117--12.7-
maleic acidMaleic acidME479104--12.71-
methionineMethionineME479126--1.77-
myo-inositolMyo-inositolME479140--7.2-
N-acetyl-glucosamine-1/6-phosphate-ME479175--7.3-
N-acetyl-glutamateN-Acetylglutamic acidME479147--13.37-
N-acetyl-glutamineN-AcetylglutamineME479145--7-
N-Acetyl-L-alanineN-AcetylalanineME479112--8.51-
N-acetyl-L-ornithineN-AcetylornithineME479136--1.21-
NAD+NAD+ME479225--8.62-
NADHNADHME479226--14.14-
NADP+NADP+ME479227--13.87-
NADPHNADPHME479228--14.87-
N-carbamoyl-L-aspartateCarbamoylaspartateME479138--12.25-
nicotinateNicotinic acidME479108--11.2-
Octulose 8/1P-ME479178--6-
Octulose Bisphosphate-ME479200--13.64-
orotateOrotic acidME479129--8.1-
orotidine-5'-phosphateOrotidylic acidME479192--13.58-
pantothenatePantothenic acidME479153--10.69-
Phenol RedPhenolsulfonphthaleinME479189--16.91-
phenylalaninePhenylalanineME479131--4.37-
phosphoenolpyruvatePhosphoenolpyruvic acidME479132--13.83-
Pro-Asp (PD)Pro-AspME479158--4.68-
Pro-Glu-Glu-Lys (PEEK)-ME479217--3.38-
Pro-Glu-Glu (PEE)Pro-Glu-GluME479194--10.5-
Pro-Glu (PE)Pro-GluME479163--4.55-
prolineProlineME479102--1.27-
Pro-Val-Asn-Phe (PVNF)Pro-Val-Asn-PheME479210--11.64-
pyruvatePyruvic acidME479097--8.67-
riboflavinRiboflavinME479195--12.56-
Ribose-5-phosphateRibose 5-phosphateME479156--6.94-
ribose-phosphateRibose 5-phosphateME479157--6-
ribulose-5-phosphateRibulose 5-phosphateME479155--7.81-
S-adenosyl-L-homocysteineS-AdenosylhomocysteineME479197--6.86-
Sedoheptulose bisphosphateSedoheptulose 1,7-bisphosphateME479193--13.64-
Ser-Asp-Leu (SDL)Ser-Asp-LeuME479184--11.22-
Ser-Asp (SD)Ser-AspME479154--4.08-
Ser-Ile-Asp (SID)Ser-Ile-AspME479183--10.96-
serineSerineME479101--1.14-
sn-glycerol-3-phosphatesn-Glycero-3-phosphateME479134--7.3-
succinate/Methylmalonic acidMethylmalonic acidME479106--11.72-
thiamineThiamineME479166--1.55-
threonine/homoserineThreonine/HomoserineME479107--1-
thymidineThymidineME479160--5.4-
tryptophanTryptophanME479150--7.5-
tyrosineTyrosineME479141--2-
UDPUDPME479203--13.81-
UDP-D-glucoseUDP-glucoseME479220--13.44-
UDP-D-glucuronateUDP-glucuronic acidME479221--14.68-
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME479223--13.37-
UMPUMPME479181--10.32-
UTPUTPME479213--14.81-
Val-Asp (VD)Val-AspME479159--6.33-
valineValineME479105--1.45-
xanthosineXanthosineME479171--7.77-
xanthosine-5-phosphateXMPME479191--12.7-


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