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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
1-Methylhistidine1-MethylhistidineME704304---170.0924099
3-Sulfinoalanine3-Sulfino-alanineME704296---154.0169542
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME704313---192.0654787
AcetylcarnitineCAR 2:0ME704315---204.1230664
Benzoic acidBenzoic acidME704285---123.0440412
BilirubinBilirubinME704339---585.2703916
BiliverdinBiliverdinME704338---583.2548731
CaffeineCaffeineME704314---195.0876842
Cholic acidCholic acidME704336---409.2962251
CiticolineCDP-cholineME704337---489.114411
CitrullineCitrullineME704305---176.1029735
CortisolCortisolME704332---363.2162499
CreatineCreatineME704290---132.0767293
CreatinineCreatinineME704281---114.0662035
CystathionineCystathionineME704318---223.0747147
CystineCystineME704319---241.0310091
CytidineCytidineME704320---244.0927147
Cytidine 23-cyclic phosphate2',3' cyclic CMPME704326---306.0491049
Cytidine monophosphateCMPME704329---324.0591193
CytosineCytosineME704278---112.0505266
dCMPdCMPME704327---308.0640711
Docosahexaenoic acidDocosahexaenoic acidME704330---329.247386
EpinephrineEpinephrineME704309---184.0967379
Gamma-Linolenic acidgamma-Linolenic acidME704322---279.2316443
GlucosamineGlucosamineME704307---180.0866144
Glutamic acidGlutamic acidME704294---148.0603716
GlutamineGlutamineME704293---147.0763664
GlutathioneGlutathioneME704328---308.0908594
Guanosine monophosphateGMPME704333---364.0644389
HistamineHistamineME704279---112.0869138
HistidineHistidineME704297---156.0767858
HypotaurineHypotaurineME704277---110.0270401
Imidazoleacetic acidImidazoleacetic acidME704288---127.0502027
IndoleIndoleME704283---118.0650787
Indole-3-methyl acetateIndole-3-methyl acetateME704312---190.0861984
IndoleacetaldehydeIndoleacetaldehydeME704298---160.0756889
Linoleic acidLinoleic acidME704323---281.2473167
MethionineMethionineME704295---150.0583725
N6N6N6-Trimethyl-L-lysineN-6-TrimethyllysineME704311---189.1597961
N-Alpha-acetyllysineN(2)-AcetyllysineME704310---189.1233383
NiacinamideNiacinamideME704286---123.0552269
Nicotinamide ribotideNicotinamide ribotideME704331---335.063814
Oleic acidOleic acidME704324---283.2629176
O-PhosphoethanolaminePhosphoethanolamineME704292---142.0264662
Palmitoleic acidPalmitoleic acidME704321---255.2316811
Pantothenic acidPantothenic acidME704317---220.1178602
PhenylalaninePhenylalanineME704300---166.0862443
PhenylethylaminePhenylethylamineME704284---122.0963504
Phenylpyruvic acidPhenylpyruvic acidME704299---165.0546579
ProlineProlineME704282---116.0705916
PyridoxalPyridoxalME704301---168.0654952
PyridoxaminePyridoxamineME704303---169.097198
QuinolineQuinolineME704289---130.0651581
RiboflavinRiboflavinME704334---377.1453536
S-AdenosylhomocysteineS-AdenosylhomocysteineME704335---385.1285607
SerineSerineME704276---106.0498722
SerotoninSerotoninME704306---177.1022387
SphinganineSphinganineME704325---302.3051246
StachyoseStachyoseME704340---667.2282214
TaurineTaurineME704287---126.0219675
TrigonellineTrigonellineME704291---138.0549598
TryptophanTryptophanME704316---205.097131
TyrosineTyrosineME704308---182.0811967
UracilUracilME704280---113.0346156
Uric acidUric acidME704302---169.0356074


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
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME704388---215.1652398
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME704363---161.0455409
3-Phosphoglyceric acid3-Phosphoglyceric acidME704381---184.9855885
3-Sulfinoalanine3-Sulfino-alanineME704359---152.0023005
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME704389---219.077505
6-Phosphogluconic acid6-Phosphogluconic acidME704395---275.0174602
AcetylcysteineN-AcetylcysteineME704364---162.0230006
AcetylglycineN-AcetylglycineME704348---116.0352978
Adenosine 35-diphosphateAdenosine 3',5'-diphosphateME704403---426.0221067
Adenosine diphosphate riboseADP-riboseME704407---558.06446
Adenosine triphosphateATPME704406---505.9883106
AICARAICARME704400---337.0539395
Aminoadipic acidAminoadipic acidME704362---160.0615067
AnserineAnserineME704392---239.1149647
Arachidic acidArachidic acidME704397---311.2956872
Aspartic acidAspartic acidME704351---132.0301822
Citramalic acidCitramalic acidME704353---147.0298987
CitrullineCitrullineME704375---174.0883402
CreatinineCreatinineME704346---112.0516603
CystineCystineME704391---239.0165848
Cytidine monophosphateCMPME704398---322.0445503
Diaminopimelic acidDiaminopimelic acidME704383---189.0881191
DL-O-PhosphoserineDL-O-PhosphoserineME704380---184.0016726
Dodecanoic acidLauric acidME704387---199.1703618
FADFADME704409---784.1502852
Gluconic acidGluconic acidME704386---195.0509952
Glyceric acidGlyceric acidME704343---105.0192967
GuanineGuanineME704357---150.0420841
Guanosine diphosphateGDPME704404---442.0170442
GulonolactoneL-GulonolactoneME704377---177.0406055
Hippuric acidHippuric acidME704378---178.0509634
HistamineHistamineME704344---110.0723608
HistidineHistidineME704360---154.0622014
Homogentisic acidHomogentisic acidME704370---167.0348295
Hydroxypyruvic acidHydroxypyruvic acidME704342---103.0036749
Imidazoleacetic acidImidazoleacetic acidME704349---125.0356303
Leukotriene B4LTB4ME704399---335.2229768
MethionineMethionineME704356---148.0437834
Mevalonic acidMevalonic acidME704355---147.0662597
Myristic acidMyristic acidME704390---227.2015794
N-AcetylasparagineN-AcetylasparagineME704373---173.0567185
N-Acetylglutamic acidN-Acetylglutamic acidME704382---188.0565089
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME704374---174.0407302
N-Acetyl-L-methionineN-AcetylmethionineME704384---190.0543778
N-Acetylneuraminic acidN-Acetylneuraminic acidME704396---308.098679
N-Formyl-L-methionineN-FormylmethionineME704376---176.0386746
Orotic acidOrotic acidME704361---155.0098287
Oxalic acidOxalic acidME704341---88.98803525
Oxoglutaric acid2-Oxoglutaric acidME704352---145.0142409
Palmitoleic acidPalmitoleic acidME704394---253.2171872
PhenylalaninePhenylalanineME704366---164.0716283
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME704368---166.9751023
ProlineProlineME704347---114.0560271
PyridoxalPyridoxalME704367---166.0509385
Quinaldic acidQuinaldic acidME704371---172.0404702
Quinic acidQuinic acidME704385---191.0561019
RhamnoseRhamnoseME704365---163.0611923
trans-Aconitic acidtrans-Aconitic acidME704372---173.0091515
trans-Cinnamic acidtrans-Cinnamic acidME704354---147.0451336
TyrosineTyrosineME704379---180.0666444
UracilUracilME704345---111.0199883
Ureidopropionic acidUreidopropionic acidME704350---131.0460501
Uric acidUric acidME704369---167.0209783
UridineUridineME704393---243.0621312
Uridine 5-diphosphateUDPME704402---402.9942798
Uridine diphosphate glucoseUDP-glucoseME704408---565.047686
Uridine triphosphateUTPME704405---482.9614884
XanthineXanthineME704358---151.0260891
Xanthylic acidXMPME704401---363.033514


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