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Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AcetoacetateAcetoacetic acidME420943---101.0244
DimethylglycineDimethylglycineME420879---102.0561
2-Hydroxybutyric acid2-Hydroxybutyric acidME420896---103.0401
SerineSerineME420862---104.0354
Cresol-ME420922---107.0503
UracilUracilME420915---111.02
CreatinineCreatinineME420897---112.0516
ProlineProlineME420877---114.056
2-KetoisovalerateKetoisovaleric acidME420919---115.0401
ValineValineME420880---116.0717
SuccinateSuccinic acidME420853---117.0194
ThreonineThreonineME420869---118.0511
TaurineTaurineME420882---124.0074
ThymineThymineME420931---125.0357
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME420918---129.0558
HydroxyprolineHydroxyprolineME420872---130.0512
CreatineCreatineME420873---130.0625
IsoleucineIsoleucineME420886---130.0873
LeucineLeucineME420891---130.0873
OxaloacetateOxaloacetic acidME420858---130.9988
Methylsuccinic acidMethylsuccinic acidME420856---131.0349
AsparagineAsparagineME420861---131.0462
Leucic acidLeucinic acidME420914---131.0714
OrnithineOrnithineME420817---131.0827
AspartateAspartic acidME420848---132.0303
MalateMalic acidME420844---133.0143
AdenineAdenineME420904---134.0473
Threonic acidThreonic acidME420871---135.0299
HypoxanthineHypoxanthineME420898---135.0313
Phenylethanolamine2-HydroxyphenethylamineME420907---136.077
Carbamoyl phosphateCarbamoylphosphateME420942---139.9758
a-ketoglutarate2-Oxoglutaric acidME420859---145.0141
GlutamineGlutamineME420863---145.0617
LysineLysineME420813---145.0982
GlutamateGlutamic acidME420849---146.0459
2-Hydroxyglutarate2-Hydroxyglutaric acidME420851---147.0299
Cinnamic acidtrans-Cinnamic acidME420927---147.0452
MethionineMethionineME420884---148.0437
Methylphenyllactate-ME420928---149.0605
GuanineGuanineME420894---150.0421
XanthineXanthineME420887---151.0261
RibitolRibitolME420883---151.0612
Hisidine-ME420864---154.0623
OrotateOrotic acidME420933---155.0099
IsovalerylglycineIsovalerylglycineME420903---158.0821
Indole-3-carboxylic acidIndole-3-carboxylic acidME420913---160.0405
Aminoadipic acidAminoadipic acidME420846---160.0616
p-coumaric acidcis-p-Coumaric acidME420909---163.0401
2-Phenylbutyric acid2-Phenylbutyric acidME420923---163.0763
Methionine sulfoxideMethionine sulfoxideME420867---164.0385
PhenylalaninePhenylalanineME420893---164.0717
PhosphoenolpyruvatePhosphoenolpyruvic acidME420932---166.975
Uric acidUric acidME420874---167.0211
Dihydroxybenzeneacetic acidDihydroxybenzeneacetic acidME420926---167.035
PyridoxinePyridoxineME420906---168.0665
1-Methylhistidine1-MethylhistidineME420865---168.0779
Dihydroxyacetone phosphateDihydroxyacetone phosphateME420838---168.9907
Glycerol-3-phosphatesn-Glycero-3-phosphateME420839---171.0064
Quinaldic acidQuinaldic acidME420911---172.0403
Aconitatetrans-Aconitic acidME420829---173.009
ShikimateShikimic acidME420866---173.0455
ArginineArginineME420816---173.1043
N-AcetylaspartateN-Acetylaspartic acidME420850---174.0408
CitrullineCitrullineME420941---174.0884
5-Phenylvaleric acid5-Phenylvaleric acidME420929---177.0922
Hippuric acidHippuric acidME420905---178.0509
Hydroxyphenyl pyruvate-ME420920---179.0349
InositolInositolME420855---179.056
GlucoseGlucoseME420876---179.0561
TyrosineTyrosineME420881---180.0666
Hydroxyphenyllactic acidHydroxyphenyllactic acidME420901---181.0507
SorbitolSorbitolME420878---181.0718
Pyridoxic acidPyridoxic acidME420924---182.046
3-PhosphoserinePhosphoserineME420944---184.0015
3-Phosphoglycerate3-Phosphoglyceric acidME420945---184.9856
Glycine-L-leucine-ME420888---187.1086
Kynurenic acidKynurenic acidME420908---188.0356
N-acetyl-glutamateN-Acetylglutamic acidME420854---188.0562
HomocitrullineHomocitrullineME420860---188.1044
Acetyl-MethionineN-AcetylmethionineME420899---190.0546
CitrateCitric acidME420815---191.0199
IsocitrateIsocitric acidME420821---191.02
PhenylacetylglycinePhenylacetylglycineME420912---192.0668
Glucuronic acidGlucuronic acidME420852---193.0352
Hydroxy-methoxycinnamic acid-ME420910---193.0505
D-erythrose-4-phosphateErythrose 4-phosphateME420826---199.0012
N-octanoylglycineCapryloylglycineME420925---200.1293
NG-dimethyl-L-arginine-ME420827---201.1357
TryptophanTryptophanME420895---203.0827
Indolelactic acidIndolelactic acidME420916---204.0667
KynurenineKynurenineME420892---207.0777
O-PropanoylcarnitineCAR 3:0ME420934---216.1241
PantothenatePantothenic acidME420885---218.1033
CystathionineCystathionineME420831---221.0605
CarnosineCarnosineME420845---225.099
Ribose phosphateRibose 5-phosphateME420834---229.0118
O-ButanoylcarnitineCAR 4:0ME420936---230.1396
CystineCystineME420841---239.0167
ThymidineThymidineME420917---241.083
CytidineCytidineME420890---242.078
Phosphocholine (+HAc)Choline phosphateME420819---242.08
UridineUridineME420900---243.0621
D-glucosamine-1 6-phosphate-ME420823---258.0385
Glucose-6-phosphateGlucose 6-phosphateME420818---259.0223
Fructose-6-phosphateFructose 6-phosphateME420825---259.0224
Mannose-6-phosphateMannose 6-phosphateME420937---259.0224
ThiamineThiamineME420875---263.0972
InosineInosineME420938---267.0724
GlutathioneGlutathioneME420847---306.0766
O-Decanoyl-L-carnitineCAR 10:0ME420935---314.2338
Glycerophosphocholine (+HAc)sn-Glycero-3-phosphocholineME420857---316.1167
CMPCMPME420824---322.0447
UMPUMPME420833---323.0287
Fructose-1 6-bisphosphateFructose 1,6-bisphosphateME420810---338.989
AMPAMPME420842---346.0558
IMPIMPME420939---347.0399
S-adenosyl-L-methionineS-AdenosylmethionineME420828---356.1035
GMPGMPME420822---362.0509
Coenzyme ACoenzyme AME420840---382.5503
UDPUDPME420930---402.9954
Acetyl CoAAcetyl-CoAME420843---403.5556
Thiamine pyrophosphateThiamine diphosphateME420811---423.0299
ADPADPME420820---426.0222
FolateFolic acidME420836---440.1325
GDPGDPME420940---442.0176
DeoxycholylglycineGlycodeoxycholic acidME420921---448.3069
UTPUTPME420809---482.9611
ATPATPME420812---505.9886
GTPGTPME420808---521.9832
CDP-Choline (+HAc)Cytidine 5'-diphosphocholineME420832---547.1211
UDP-D-GlucoseUDP-glucoseME420830---565.0481
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME420837---606.0744
NAD+NAD+ME420835---662.1022
GlycineGlycineME420868---74.02479
NADP+NADP+ME420814---742.0695
PyruvatePyruvic acidME420902---87.0087
AlanineAlanineME420870---88.04036
LactateLactic acidME420889---89.02438


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