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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 acidME291064--4102.0561
serineSerineME291232--1.14104.035
glycerateGlyceric acidME291146--6.35105.0193
prolineProlineME291214--1.27114.056
fumarateFumaric acidME291138--13.49115.0037
maleic acidMaleic acidME291176--12.71115.004
2-keto-isovalerateKetoisovaleric acidME291060--13.06115.04
Acetyl-glycineN-AcetylglycineME291074--7.44116.035
indoleIndoleME291162--7.5116.05
5-aminopentanoic acid5-Aminopentanoic acidME291068--1.18116.072
valineValineME291254--1.45116.072
succinate/Methylmalonic acidMethylmalonic acidME291236--11.72117.0193
threonine/homoserineThreonine/HomoserineME291242--1118.051
nicotinateNicotinic acidME291192--11.2122.0248
taurineTaurineME291238--0.82124.007
Pyroglutamic acidPyroglutamic acidME291217--7.69128.0353
DL-Pipecolic AcidPipecolic acidME291123--1.2128.072
Citraconic acidCitraconic acidME291098--13.29129.019
KetoleucineKetoleucineME291167--14.3129.056
N-AcetylputrescineN-AcetylputrescineME291185--1129.103
hydroxyproline/Aminolevulinatecis-3-HydroxyprolineME291158--1.15130.051
N-Acetyl-L-alanineN-AcetylalanineME291183--8.51130.051
isoleucineIsoleucineME291165--2.22130.087
leucineLeucineME291173--2.6130.087
oxaloacetateOxaloacetic acidME291200--13.64130.999
asparagineAsparagineME291087--1.15131.046
Hydroxyisocaproic acidHydroxyisocaproic acidME291155--14.14131.071
ornithineOrnithineME291197--1131.0826
aspartateAspartic acidME291088--4.28132.03
malateMalic acidME291175--12.7133.0142
adenineAdenineME291078--3.5134.047
hypoxanthineHypoxanthineME291159--1.18135.0312
anthranilate2-Aminobenzoic acidME291085--13.51136.04
p-aminobenzoatep-Aminobenzoic acidME291201--8.7136.04
p-hydroxybenzoate4-Hydroxybenzoic acidME291212--10.88137.0244
Labelled Aspartate-ME291169--4.28137.041
acetylphosphateAcetylphosphateME291076--12.74138.98
a-ketoglutarate2-Oxoglutaric acidME291082--13.13145.0142
glutamineGlutamineME291143--1.17145.062
lysineLysineME291174--0.85145.098
glutamateGlutamic acidME291142--3.26146.046
O-acetyl-L-serineO-AcetylserineME291194--1.1146.046
2-oxo-4-methylthiobutanoate2-Oxo-4-methylthiobutanoic acidME291061--13.75147.0121
2-Hydroxy-2-methylbutanedioic acidCitramalic acidME291058--12.06147.03385
methionineMethionineME291177--1.77148.044
riboseRiboseME291222--1.22149.046
guanineGuanineME291149--3.4150.0421
xanthineXanthineME291256--2.69151.0262
Hydroxyphenylacetic acidHydroxyphenylacetic acidME291156--14.68151.04
histidineHistidineME291152--0.87154.062
orotateOrotic acidME291198--8.1155.0098
dihydroorotate4,5-Dihydroorotic acidME291121--6.9157.0255
Aminoadipic acidAminoadipic acidME291084--3.22160.062
carnitineCarnitineME291091--1160.0979
phenylpyruvatePhenylpyruvic acidME291210--15.1163.0401
phenylalaninePhenylalanineME291208--4.37164.072
Phenyllactic acidPhenyllactic acidME291209--14.68165.056
quinolinateQuinolinic acidME291220--13.58166.015
phosphoenolpyruvatePhosphoenolpyruvic acidME291211--13.83166.9751
pyridoxinePyridoxineME291216--1.8168.067
D-glyceraldehdye-phosphate/dihydroxy-acetone-phosp...-ME291118--9168.991
sn-glycerol-3-phosphatesn-Glycero-3-phosphateME291235--7.3171.0064
aconitatetrans-Aconitic acidME291077--14173.0092
N-acetyl-L-ornithineN-AcetylornithineME291184--1.21173.0932
arginineArginineME291086--0.87173.104
acetyl-aspartateN-Acetylaspartic acidME291072--13174.041
N-carbamoyl-L-aspartateCarbamoylaspartateME291190--12.25175.036
2-Isopropylmalic acid2-Isopropylmalic acidME291059--13.87175.061
PyrophosphatePyrophosphateME291218--13.87176.936
glucono-lactoneGluconolactoneME291140--6.9177.04
hydroxyphenylpyruvate-ME291157--13.58179.035
HexoseHexoseME291151--1.13179.056
myo-inositolMyo-inositolME291178--7.2179.0561
tyrosineTyrosineME291246--2180.067
homocysteic acidHomocysteic acidME291153--4.8182.013
4-Pyridoxic acid4-Pyridoxic acidME291067--14.14182.0459
3-phospho-serinePhosphoserineME291063--8.2184.0017
3-phosphoglycerate3-Phosphoglyceric acidME291062--13.58184.9857
Indoleacrylic acidIndoleacrylic acidME291163--14.94186.056
N-acetyl-glutamineN-AcetylglutamineME291182--7187.0724
AcetyllysineN(2)-AcetyllysineME291075--1.1187.1088
N-acetyl-glutamateN-Acetylglutamic acidME291181--13.37188.0564
citrate/isocitrateCitric acid/Isocitric acidME291099--13.6191.0197
2-dehydro-D-gluconate2-Dehydro-D-gluconic acidME291057--5193.0354
D-gluconateGluconic acidME291116--5195.051
tryptophanTryptophanME291245--7.5203.083
Xanthurenic acidXanthurenic acidME291259--14.14204.03
KynurenineKynurenineME291168--3.6207.078
D-glucarateGlucaric acidME291115--13209.03
deoxyribose-phosphateDeoxyribose 5-phosphateME291112--7.74213.017
pantothenatePantothenic acidME291202--10.69218.103
SDSer-AspME291229--4.08219.0623
FlavoneFlavoneME291133--7.7221.061
prephenatePrephenic acidME291213--13.87225.04
deoxyuridineDeoxyuridineME291113--3.54227.067
ribose-phosphateRibose 5-phosphateME291224--6229.0119
Ribose-5-phosphateRibose 5-phosphateME291223--6.94229.012
ribulose-5-phosphateRibulose 5-phosphateME291225--7.81229.012
PDPro-AspME291203--4.68229.083
VD-ME291255--6.33231.0986
thymidineThymidineME291243--5.4241.083
cytidineCytidineME291104--1.2242.0782
uridineUridineME291252--1.7243.0623
biotinBiotinME291090--12.92243.08
PE-ME291204--4.55243.0986
EV-ME291131--7.99243.099
LD-ME291172--8.65245.1143
deoxyinosineDeoxyinosineME291111--3.9251.0786
D-glucosamine-1/6-phosphate-ME291117--1.9258.038
glucose-1-phosphateGlucose 1-phosphateME291141--7.98259.022
fructose-6-phosphateFructose 6-phosphateME291137--7.98259.0227
thiamineThiamineME291239--0.94263.097
1_3-Bisphosphoglyceric acid3-Phospho-D-glyceroyl dihydrogen phosphateME291055--13.87264.952
2_3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME291056--14.68264.952
deoxyguanosineDeoxyguanosineME291110--4.8266.089
adenosineAdenosineME291079--1.27266.0895
inosineInosineME291164--3.5267.0735
6-phospho-D-gluconate6-Phosphogluconic acidME291071--13.38275.0174
chlorpropamideChlorpropamideME291096--17.2275.026
guanosineGuanosineME291150--4282.0844
xanthosineXanthosineME291257--7.77283.0684
D-sedoheptulose-1/7-phosphate-ME291125--7.29289.033
L-arginino-succinateArgininosuccinic acidME291171--3.25289.115
S-methyl-5'-thioadenosine5'-MethylthioadenosineME291234--11.6296.082
N-acetyl-glucosamine-1/6-phosphate-ME291180--7.3300.049
4-phosphopantothenate(R)-4'-Phosphopantothenic acidME291066--13.94300.08429
cCMP-ME291092--4.91304.034
dCMPdCMPME291108--9.8306.0497
glutathioneGlutathioneME291144--8.02306.077
dUMPdUMPME291129--10.28307.0337
Isopentyl-PP-ME291166--15.06317.092
Octoluse 8/1P-ME291195--6319.044
dTMPdTMPME291127--11.27321.0493
CMPCMPME291100--8.61322.0446
coenzyme ACoenzyme AME291101--15.93322.045
UMPUMPME291251--10.32323.0286
cyclic-AMP3',5' cyclic AMPME291103--12.97328.0452
dAMPdAMPME291105--12330.0609
DLSAsp-Leu-SerME291124--11.46332.146
SDL-ME291230--11.22332.146
SID-ME291233--10.96332.146
nicotinamide mononucleotideNicotinamide ribotideME291191--1.71333.049
Nicotinic acid mononucleotideNicotinic acid mononucleotideME291193--11.44334.033
fructose-1-6-bisphosphateFructose 1,6-bisphosphateME291136--13.6338.9888
thiamine-phosphateTMPME291241--11.11343.064
dGMP/AMPdGMPME291119--11346.0558
IMPIMPME291161--10.5347.0398
Phenol RedPhenolsulfonphthaleinME291207--16.91353.049
S-adenosyl-L-methioninamine-ME291227--1354.148
4-phosphopantetheinePantetheine 4'-phosphateME291065--13.3357.089
GMPGMPME291147--10.5362.0507
xanthosine-5-phosphateXMPME291258--12.7363.0347
orotidine-5'-phosphateOrotidylic acidME291199--13.58367.018
Sedoheptoluse bisphosphate-ME291231--13.64368.9993
PEEPro-Glu-GluME291205--10.5372.1412
riboflavinRiboflavinME291221--12.56375.131
DLHAsp-Leu-HisME291122--3.73382.1732
S-adenosyl-L-homoCysteineS-AdenosylhomocysteineME291226--6.86383.1143
dCDPdCDPME291107--13.58386.016
5-phosphoribosyl-1-pyrophosphatePhosphoribosyl pyrophosphateME291070--15.13388.9445
S-adenosyl-L-methionineS-AdenosylmethionineME291228--7397.13
Octoluse Bisphosphate-ME291196--13.64399.0099
dTDPdTDPME291126--14.41401.0157
CDPCDPME291093--13.53402.0109
UDPUDPME291247--13.81402.9949
trehalose-6-PhosphateTrehalose 6-phosphateME291244--6.95421.075
Thiamine pyrophosphateThiamine diphosphateME291240--9.56423.03
adenosine 5'-phosphosulfateAdenosine phosphosulfateME291080--13.58426.013
dGDP/ADPADPME291114--14426.022
IDPIDPME291160--13.9427.006
folateFolic acidME291135--13.99440.132
GDPGDPME291139--13.9442.017
CDP-ethanolamineCDP-EthanolamineME291095--6.38445.0531
FMNFMNME291134--14.54455.0973
5-methyl-THF5-Methyl-THFME291069--14.1458.179
cholesteryl sulfateCholesterol sulfateME291097--17.25465.304
dCTPdCTPME291109--14.8465.9823
dUTPdUTPME291130--14.81466.9663
PVNFPro-Val-Asn-PheME291215--11.64474.2358
dTTPdTTPME291128--14.75480.982
CTPCTPME291102--14.75481.9772
UTPUTPME291253--14.81482.9613
HVDD-ME291154--9.83484.192
CDP-cholineCDP-cholineME291094--6.53487.1
dATPdATPME291106--14.82489.9936
PEEK-ME291206--3.38500.2362
dGTP/ATPATPME291120--14.77505.988
GTPGTPME291148--14.92521.9834
UDP-D-glucoseUDP-glucoseME291248--13.44565.0478
UDP-D-glucuronateUDP-glucuronic acidME291249--14.68579.027
ADP-D-glucoseADP-glucoseME291081--13.72588.075
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME291250--13.37606.0743
glutathione disulfideOxidized glutathioneME291145--12.94611.1447
NAD+NAD+ME291186--8.62662.1019
NADHNADHME291187--14.14664.1175
NADP+NADP+ME291188--13.87742.0682
NADPHNADPHME291189--14.87744.0838
FADFADME291132--15784.1499
acetyl-CoAAcetyl-CoAME291073--16.18808.1184
succinyl-CoA/methylmalonyl-CoA-ME291237--16.93866.124
pyruvatePyruvic acidME291219--8.6787.0088
Benzoyl-CoA-ME291089--17.78870.134
alanine/sarcosineAlanine/SarcosineME291083--188.0404
lactateLactic acidME291170--7.2889.0244
Myristoyl/tetradecanoyl-CoAMyristoyl-CoAME291179--21.8976.306


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