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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Ketobutyric acid3-Methyl pyruvic acidME309847--77.5103.039
SerineSerineME309848--96.5106.0499
UracilUracilME309849--49113.0346
CreatinineCreatinineME309850--50.3114.0662
NiacinamideNiacinamideME309851--45.6123.0552
TaurineTaurineME309852--69.9126.022
N-AcetylputrescineN-AcetylputrescineME309853--34131.118
AdenineAdenineME309854--36.6136.0617
HypoxanthineHypoxanthineME309855--51.3137.0458
TrigonellineTrigonellineME309856--70.6138.055
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME309857--26.1146.0924
SpermidineSpermidineME309858--104146.1653
GlutamineGlutamineME309859--95.8147.0764
Glutamic acidGlutamic acidME309860--85.3148.0604
MethionineMethionineME309861--61.1150.0584
3-Sulfinoalanine3-Sulfino-alanineME309862--130.3154.0169
AllantoinAllantoinME309863--52.6159.0512
CarnitineCarnitineME309864--70.2162.1125
NicotineNicotineME309865--23.6163.123
Phenylpyruvic acidPhenylpyruvic acidME309866--64.8165.0547
Uric acidUric acidME309867--67169.0356
ArginineArginineME309868--129.4175.119
Guanidinosuccinic acidGuanidinosuccinic acidME309869--73.4176.0664
CitrullineCitrullineME309870--103176.103
N-Alpha-acetyllysineN(2)-AcetyllysineME309871--70.9189.1234
Indole-3-methyl acetateIndole-3-methyl acetateME309872--41.9190.0862
AcetylcarnitineCAR 2:0ME309873--53.6204.123
TryptophanTryptophanME309874--53.8205.0971
KynurenineKynurenineME309875--55.7209.0921
Pantothenic acidPantothenic acidME309876--36.4220.1179
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME309877--65.2221.0917
Methyl jasmonateMethyl jasmonateME309878--18.4225.1485
CarnosineCarnosineME309879--105.8227.1134
AdenosineAdenosineME309880--42.9268.1033
InosineInosineME309881--57.4269.0873
Gamma-Linolenic acidgamma-Linolenic acidME309882--38.3279.2314
GuanosineGuanosineME309883--61.2284.0982
Ophthalmic acidOphthalmic acidME309884--67.7290.136
Cytidine 23-cyclic phosphate2',3' cyclic CMPME309885--95.7306.0483
GlutathioneGlutathioneME309886--81.5308.0921
DodecanoylcarnitineCAR 12:0ME309887--37.1344.279
CortisolCortisolME309888--34.8363.2159
Cholic acidCholic acidME309889--31.2409.2969
BiliverdinBiliverdinME309890--34.6583.2534
BilirubinBilirubinME309891--32585.2688
ThyroxineThyroxineME309892--42.8777.6941


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
SerineSerineME309893--22.1104.0353
CreatinineCreatinineME309894--24.5112.0516
AcetylglycineN-AcetylglycineME309895--20.8116.0353
HypoxanthineHypoxanthineME309896--22.4135.0303
Phenylacetic acidPhenylacetic acidME309897--43.5135.0452
Oxoglutaric acid2-Oxoglutaric acidME309898--23145.0143
GlutamineGlutamineME309899--21.4145.0619
LysineLysineME309900--37.8145.0983
trans-Cinnamic acidtrans-Cinnamic acidME309901--35.1147.0452
Mevalonic acidMevalonic acidME309902--16.6147.0664
MethionineMethionineME309903--23.5148.0438
XanthineXanthineME309904--22.6151.0262
HistidineHistidineME309905--25.8154.0623
IndoleacetaldehydeIndoleacetaldehydeME309906--54.3158.0612
Oxoadipic acidOxoadipic acidME309907--15.3159.03
Aminoadipic acidAminoadipic acidME309908--19.8160.0615
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME309909--25.3161.0456
PhenylalaninePhenylalanineME309910--24.6164.0717
Uric acidUric acidME309911--20.1167.0211
Quinaldic acidQuinaldic acidME309912--31.5172.0403
ArginineArginineME309913--35.2173.1044
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME309914--23.4174.0407
CitrullineCitrullineME309915--20.3174.0884
GulonolactoneL-GulonolactoneME309916--25.2177.0405
Hippuric acidHippuric acidME309917--22.5178.0509
Caffeic acidCaffeic acidME309918--21.2179.035
TyrosineTyrosineME309919--23.5180.0667
N-Acetylglutamic acidN-Acetylglutamic acidME309920--28188.0564
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME309921--26.7190.0508
trans-Ferulic acidtrans-Ferulic acidME309922--18.8193.0509
3-Methoxytyrosine3-MethoxytyrosineME309923--24.1210.0772
Myristic acidMyristic acidME309924--227.7227.2016
Ribose 5-phosphateRibose 5-phosphateME309925--18.6229.0119
CystineCystineME309926--25.1239.0155
UridineUridineME309927--22.6243.0622
Palmitoleic acidPalmitoleic acidME309928--233.8253.2172
Palmitic acidPalmitic acidME309929--250255.2327
Heptadecanoic acidMargaric acidME309930--259.2269.2485
Gamma-Linolenic acidgamma-Linolenic acidME309931--227.1277.2171
Linoleic acidLinoleic acidME309932--239.5279.2327
Stearic acidStearic acidME309933--271.3283.2641
All-trans-retinoic acidRetinoic acidME309934--220299.2013
N-Acetylneuraminic acidN-Acetylneuraminic acidME309935--19.4308.098
Arachidic acidArachidic acidME309936--288.3311.2955
Docosahexaenoic acidDocosahexaenoic acidME309937--229.8327.233
Glycocholic acidGlycocholic acidME309938--33.1464.3004
BiliverdinBiliverdinME309939--68.8581.2399
ThyroxineThyroxineME309940--62.9775.6824


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