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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
4-aminobutyrategamma-Aminobutyric acidME274037---102.0561
serineSerineME274160---104.0353
glycerateGlyceric acidME274097---105.0193
prolineProlineME274147---114.0561
fumarateFumaric acidME274090---115.0037
maleic acidMaleic acidME274117---115.0037
valineValineME274182---116.0717
succinate/Methylmalonic acidMethylmalonic acidME274164---117.0193
threonine/homoserineThreonine/HomoserineME274169---118.051
indoleIndoleME274107---118.0651
nicotinateNicotinic acidME274132---122.0248
taurineTaurineME274166---124.0074
thymineThymineME274171---127.0502
Pyroglutamic acidPyroglutamic acidME274150---128.0353
DL-Pipecolic AcidPipecolic acidME274077---128.0717
hydroxyproline/Aminolevulinatecis-3-HydroxyprolineME274104---130.051
N-Acetyl-L-alanineN-AcetylalanineME274124---130.051
isoleucineIsoleucineME274109---130.0874
leucineLeucineME274114---130.0874
asparagineAsparagineME274051---131.0462
aspartateAspartic acidME274052---132.0302
malateMalic acidME274116---133.0142
ornithineOrnithineME274135---133.0972
hypoxanthineHypoxanthineME274105---135.0312
p-hydroxybenzoate4-Hydroxybenzoic acidME274146---139.039
a-ketoglutarate2-Oxoglutaric acidME274048---145.0143
glutamineGlutamineME274095---145.0619
lysineLysineME274115---145.0983
glutamateGlutamic acidME274094---146.0459
2-Hydroxy-2-methylbutanedioic acidCitramalic acidME274033---147.03385
methionineMethionineME274118---148.0438
2-oxo-4-methylthiobutanoate2-Oxo-4-methylthiobutanoic acidME274034---149.0267
guanineGuanineME274100---150.0421
xanthineXanthineME274184---153.0407
histidineHistidineME274102---154.0622
orotateOrotic acidME274136---155.0098
dihydroorotate4,5-Dihydroorotic acidME274074---157.0255
carnitineCarnitineME274053---162.1125
phenylalaninePhenylalanineME274143---164.0717
phenylpyruvatePhenylpyruvic acidME274144---165.0546
phosphoenolpyruvatePhosphoenolpyruvic acidME274145---166.9751
pyridoxinePyridoxineME274149---168.0666
dihydroxy-acetone-phosphateDihydroxyacetone phosphateME274075---168.9908
sn-glycerol-3-phosphatesn-Glycero-3-phosphateME274163---171.0064
aconitatetrans-Aconitic acidME274046---173.0092
N-acetyl-L-ornithineN-AcetylornithineME274125---173.0932
arginineArginineME274050---173.1044
acetyl-aspartateN-Acetylaspartic acidME274043---174.0408
N-carbamoyl-L-aspartateCarbamoylaspartateME274130---175.036
glucono-lactoneGluconolactoneME274092---177.0405
PyrophosphatePyrophosphateME274151---178.9505
myo-inositolMyo-inositolME274119---179.0561
tyrosineTyrosineME274174---180.0666
4-Pyridoxic acid4-Pyridoxic acidME274040---182.0459
3-phospho-serinePhosphoserineME274036---184.0017
3-phosphoglycerate3-Phosphoglyceric acidME274035---184.9857
N-acetyl-glutamineN-AcetylglutamineME274123---187.0724
AcetyllysineN(2)-AcetyllysineME274045---187.1088
N-acetyl-glutamateN-Acetylglutamic acidME274122---188.0564
citrate/isocitrateCitric acid/Isocitric acidME274057---191.0197
2-dehydro-D-gluconate2-Dehydro-D-gluconic acidME274032---193.0354
D-gluconateGluconic acidME274071---195.051
tryptophanTryptophanME274173---203.0826
deoxyribose-phosphateDeoxyribose 5-phosphateME274069---215.0315
pantothenatePantothenic acidME274138---218.1034
SDSer-AspME274157---219.0623
Ribose-5-phosphateRibose 5-phosphateME274153---229.0119
ribose-phosphateRibose 5-phosphateME274154---229.0119
ribulose-5-phosphateRibulose 5-phosphateME274155---229.0119
PDPro-AspME274139---229.083
VD-ME274183---231.0986
cytidineCytidineME274062---242.0782
thymidineThymidineME274170---243.0975
PE-ME274140---243.0986
uridineUridineME274180---245.0768
LD-ME274113---245.1143
deoxyinosineDeoxyinosineME274068---253.0931
fructose-6-phosphateFructose 6-phosphateME274089---259.0225
glucose-1/6-phosphate-ME274093---261.037
thiamineThiamineME274167---263.0972
2_3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME274031---264.952
inosineInosineME274108---267.0735
6-phospho-D-gluconate6-Phosphogluconic acidME274042---275.0174
guanosineGuanosineME274101---282.0844
xanthosineXanthosineME274185---283.0684
D-sedoheptulose-1/7-phosphate-ME274079---289.033
L-arginino-succinateArgininosuccinic acidME274112---289.1154
S-methyl-5'-thioadenosine5'-MethylthioadenosineME274162---296.0823
N-acetyl-glucosamine-1/6-phosphate-ME274121---300.049
4-phosphopantothenate(R)-4'-Phosphopantothenic acidME274039---300.08429
dCMPdCMPME274066---306.0497
dUMPdUMPME274083---309.0482
Isopentyl-PP-ME274110---317.0925
Octulose 8/1P-ME274133---319.0436
dTMPdTMPME274081---321.0493
CMPCMPME274058---322.0446
UMPUMPME274179---323.0286
cyclic-AMP3',5' cyclic AMPME274061---328.0452
dAMPdAMPME274063---330.0609
DLSAsp-Leu-SerME274078---332.1463
SDL-ME274158---332.1463
SID-ME274161---332.1463
nicotinamide mononucleotideNicotinamide ribotideME274131---333.0493
fructose-1-6-bisphosphateFructose 1,6-bisphosphateME274088---338.9888
dGMP/AMPdGMPME274072---346.0558
IMPIMPME274106---347.0398
4-phosphopantetheinePantetheine 4'-phosphateME274038---357.089
GMPGMPME274098---362.0507
xanthosine-5-phosphateXMPME274186---363.0347
orotidine-5'-phosphateOrotidylic acidME274137---367.0184
Sedoheptulose bisphosphateSedoheptulose 1,7-bisphosphateME274159---368.9994
PEEPro-Glu-GluME274141---372.1412
DLHAsp-Leu-HisME274076---382.1732
S-adenosyl-L-homocysteineS-AdenosylhomocysteineME274156---383.1143
dCDPdCDPME274065---386.016
5-phosphoribosyl-1-pyrophosphatePhosphoribosyl pyrophosphateME274041---388.9446
Octulose Bisphosphate-ME274134---399.0099
dTDPdTDPME274080---401.0157
CDPCDPME274054---402.0109
UDPUDPME274175---402.9949
trehalose-6-PhosphateTrehalose 6-phosphateME274172---421.0753
Thiamine pyrophosphateThiamine diphosphateME274168---423.0299
dGDP/ADPADPME274070---426.0222
folateFolic acidME274087---440.1324
GDPGDPME274091---442.017
CDP-ethanolamineCDP-EthanolamineME274056---445.0531
FMNFMNME274086---455.0973
dCTPdCTPME274067---465.9823
dUTPdUTPME274084---466.9663
PVNFPro-Val-Asn-PheME274148---474.2358
dTTPdTTPME274082---480.982
CTPCTPME274060---481.9772
UTPUTPME274181---482.9613
HVDD-ME274103---484.1923
CDP-cholineCDP-cholineME274055---487.1
dATPdATPME274064---489.9936
PEEK-ME274142---500.2362
dGTP/ATPATPME274073---505.9885
GTPGTPME274099---521.9834
UDP-D-glucoseUDP-glucoseME274176---565.0478
UDP-D-glucuronateUDP-glucuronic acidME274177---579.027
ADP-D-glucoseADP-glucoseME274047---588.075
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME274178---606.0743
glutathione disulfideOxidized glutathioneME274096---611.1447
NAD+NADME274126---662.1019
NADHNADHME274127---664.1175
NADP+NADPME274128---742.0682
NADPHNADPHME274129---744.0838
coenzyme ACoenzyme AME274059---766.108
FADFADME274085---784.1499
acetyl-CoAAcetyl-CoAME274044---808.1184
succinyl-CoA/methylmalonyl-CoA-ME274165---866.124
pyruvatePyruvic acidME274152---87.0088
alanine/sarcosineAlanine/SarcosineME274049---88.0404
lactateLactic acidME274111---89.0244
Myristoyl/tetradecanoyl-CoAMyristoyl-CoAME274120---976.3063


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