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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
cyclohexylamineCyclohexylamineME635522--6.44100.1121
2-aminoisobutyrateAminoisobutyric acidME635459--7.64104.0706
GABAgamma-Aminobutyric acidME635527--7.51104.0706
dimethylglycineDimethylglycineME635525--8.52104.0707
cholineCholineME635517--8.29104.107
serineSerineME635589--7.64106.05
hypotaurineHypotaurineME635539--7.97110.0272
histamineHistamineME635536--9.2112.087
creatinineCreatinineME635521--6.49114.0664
prolineProlineME635583--8.1116.0708
guanidinoacetateGuanidoacetic acidME635533--7.83118.0613
betaineBetaineME635483--8.97118.0864
valineValineME635601--7.41118.0864
threonineThreonineME635594--7.58120.0658
niacinamideNiacinamideME635570--3.85123.0555
nicotinateNicotinic acidME635571--3.71124.0394
taurineTaurineME635592--6.04126.022
5-methylcytosine5-MethylcytosineME635466--6.12126.0662
1-methylhistamine1-MethylhistamineME635456--9.64126.1027
valine-d8ValineME635454--7.42126.1366
imidazoleacetateImidazoleacetic acidME635541--8.06127.0503
N-methylprolineN-Methyl-prolineME635573--8.63130.0861
pipecolatePipecolic acidME635582--7.98130.0861
N-acetylputrescineN-AcetylputrescineME635566--7.93131.1178
hydroxyprolineHydroxyprolineME635538--7.86132.0654
beta-guanidinopropionate3-Guanidinopropanoic acidME635482--7.45132.0766
creatineCreatineME635520--8.29132.0766
isoleucineIsoleucineME635543--7.1132.1017
leucineLeucineME635546--6.97132.1017
asparagineAsparagineME635479--7.89133.0606
N-carbamoyl-beta-alanineUreidopropionic acidME635569--4.12133.0606
ornithineOrnithineME635575--9.26133.097
aspartateAspartic acidME635480--7.93134.0446
1-methylnicotinamide1-Methyl nicotinamideME635457--8.24137.0706
trigonellineTrigonellineME635595--8.87138.0546
urocanateUrocanic acidME635600--4.63139.0498
imidazole propionateImidazole propanoateME635540--7.42141.0654
methylimidazoleacetateMethylimidazoleacetic acidME635552--8.84141.0655
ectoineEctoineME635526--8.91143.0811
proline-betaineProline betaineME635584--9.26144.1014
4-guanidinobutanoate4-Guanidinobutanoic acidME635463--7.23146.0918
butyrobetaine3-DehydroxycarnitineME635487--8.76146.117
acetylcholineAcetylcholineME635468--7.8146.1171
glutamineGlutamineME635529--8147.0759
lysineLysineME635548--9.36147.1123
glutamateGlutamic acidME635528--7.55148.0599
methionineMethionineME635549--7.03150.0577
S-methyl-L-cysteine-S-oxideS-Methylcysteine S-oxideME635591--8.64152.038
oxypurinolOxypurinolME635576--3.77153.04
xanthineXanthineME635603--3.72153.0401
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME635555--4.33153.0652
N-acetylhistamineN-AcetylhistamineME635562--7.74154.0968
histidineHistidineME635537--9.34156.0761
allantoinAllantoinME635474--3.61159.0505
ala-alaAla-AlaME635472--8.06161.0913
N6-methyllysineN(6)-MethyllysineME635560--9.67161.1278
carnitineCarnitineME635488--8.8162.1116
methionine sulfoxideMethionine sulfoxideME635550--8.63166.0524
7-methylguanine7-MethylguanineME635467--5.78166.0715
phenylalaninePhenylalanineME635580--6.71166.0853
urateUric acidME635599--4.27169.0346
pyridoxinePyridoxineME635586--6.19170.0802
3-methylhistidine3-MethylhistidineME635461--9.83170.0915
N-acetylleucineN-AcetylleucineME635564--2.9174.1115
phenylalanine-d8PhenylalanineME635453--6.72174.1354
N-acetylornithineN-AcetylornithineME635565--8.38175.1067
arginineArginineME635478--9.12175.1179
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME635558--10.25175.1431
N-acetylaspartateN-Acetylaspartic acidME635561--4.32176.0543
citrullineCitrullineME635518--8.32176.1019
serotoninSerotoninME635590--6.28177.1012
hippurateHippuric acidME635535--2.58180.0644
tyrosineTyrosineME635598--6.8182.08
4-pyridoxate4-Pyridoxic acidME635464--4.22184.0593
phosphocholineCholine phosphateME635581--10.95184.0721
acisogaAcisogaME635469--5.67185.1272
N1-acetylspermidineN1-AcetylspermidineME635554--9.83188.1745
N6-acetyllysineN6-AcetyllysineME635559--8.36189.1221
NMMATarginineME635574--9.35189.1333
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME635557--11.23189.1585
kynurenateKynurenic acidME635544--5.22190.0486
cotinine N-oxideCotinine N-oxideME635519--6.72193.0958
phenylacetylglycinePhenylacetylglycineME635579--2.69194.0799
4-aminohippurate4-Aminohippuric acidME635462--2.38195.0751
N-acetylhistidineN-AcetylhistidineME635563--8.33198.0835
ADMADimethylarginineME635471--9.75203.149
SDMASymmetric dimethylarginineME635588--9.64203.149
C2 carnitineCAR 2:0ME635489--8.66204.1217
tryptophanTryptophanME635597--6.5205.0958
pantothenolPantothenolME635578--3.9206.1374
N-alpha-acetylargininePelargonidinME635568--8.14217.1283
C3 carnitineCAR 3:0ME635490--8.31218.1375
N-acetylserotoninN-AcetylserotoninME635567--2.59219.1116
pantothenatePantothenic acidME635577--3.12220.1167
carnosineCarnosineME635514--9.74227.1126
2'-deoxycytidineDeoxycytidineME635460--6.01228.0965
C4 carnitineCAR 4:0ME635493--7.99232.1532
biopterinBiopterinME635485--5.14238.0923
cystineCystineME635523--9.02241.03
anserineAnserineME635476--10.46241.1284
cytidineCytidineME635524--5.86244.092
C5:1 carnitineCAR 5:1ME635496--7.85244.1535
biotinBiotinME635486--3.91245.0947
C5 carnitineCAR 5:0ME635495--7.77246.1691
C3-DC carnitineCAR DC3:0ME635491--9.4248.1119
C4-OH carnitineCAR 4:0;OHME635494--8.84248.1484
5-methylcytidine5-MethylcytidineME635465--6.03258.1078
alpha-glycerophosphocholinesn-Glycero-3-phosphocholineME635475--10.4258.1095
N-lauroylglycineNAGly 12:0ME635572--2.41258.2058
C6 carnitineCAR 6:0ME635497--7.54260.185
C3-DC-CH3 carnitineCAR 3:0;2MeME635492--8.53262.128
thiamineThiamineME635593--9.76265.1112
adenosineAdenosineME635470--5.03268.1034
inosineInosineME635542--4.82269.0873
vitamin ARetinolME635602--1.59269.2257
C7 carnitineCAR 7:0ME635498--7.43274.2007
L-alpha-glutamyl-L-LysineGlu-LysME635545--9.66276.1547
1-methyladenosine1-MethyladenosineME635455--7.69282.1189
guanosineGuanosineME635534--5.26284.0982
xanthosineXanthosineME635604--4.31285.0823
N4-acetylcytidineN4-AcetylcytidineME635556--4.28286.1024
C8 carnitineCAR 8:0ME635499--7.32288.2161
methylthioadenosineMethylthioadenosineME635553--4.25298.0959
sphingosineSphingosineME635662--5.78300.2887
sphinganineSphinganineME635664--5.8302.3043
glutathione reducedGlutathioneME635530--7.81308.0901
C10 carnitineCAR 10:0ME635500--7.12316.2471
phytosphingosinePhytosphingosineME635663--5.89318.2993
linoleoyl ethanolamideLinoleoyl-EAME635547--2.01324.2886
C12:1 carnitineCAR 12:1ME635502--6.95342.2626
cellobioseCellobioseME635515--6.43343.122
C12 carnitineCAR 12:0ME635501--6.93344.2783
21-deoxycortisol21-DeoxycortisolME635458--2.03347.2204
arachidoyl ethanolamideEicosanoyl-EAME635477--2356.351
C-glycosyltryptophanC-GlycosyltryptophanME635516--7.07367.1486
C14:2 carnitineCAR 14:2ME635505--6.83368.2782
C14:1 carnitineCAR 14:1ME635504--6.77370.2939
C14 carnitineCAR 14:0ME635503--6.77372.3094
S-adenosylmethionineS-AdenosylmethionineME635587--10.15399.1432
C16 carnitineCAR 16:0ME635506--6.65400.3407
C16-OH carnitineCAR 16:0;OHME635507--7.09416.3357
C18:2 carnitineCAR 18:2ME635511--6.62424.3407
C18:1 carnitineCAR 18:1ME635509--6.57426.3564
C18 carnitineCAR 18:0ME635508--6.54428.3721
C18:1-OH carnitineCAR 18:1;OHME635510--7.01442.3514
C20:4 carnitineCAR 20:4ME635513--6.52448.3407
C16:0 LPELPE 16:0ME635621--6.26454.2917
C20 carnitineCAR 20:0ME635512--6.45456.4036
glycocholateGlycocholic acidME635532--5.24466.3152
C14:0 LPCLPC 14:0ME635605--7.88468.3073
C18:3 LPELPE 18:3ME635622--6.26476.2736
C18:2 LPELPE 18:2ME635623--6.25478.292
C18:1 LPELPE 18:1ME635624--6.22480.3076
C16:1 LPC plasmalogenLPC P-16:1 or LPC O-16:2ME635618--7.58480.3436
C18:0 LPE ALPE 18:0ME635625--6.19482.3232
C18:0 LPE BLPE 18:0ME635626--7.8482.3232
C16:1 LPCLPC 16:1ME635606--7.8494.3232
C16:0 LPCLPC 16:0ME635607--7.73496.3389
C20:4 LPELPE 20:4ME635627--6.12502.292
C18:1 LPC plasmalogen ALPC P-18:0 or LPC O-18:1ME635619--7.78508.3753
C18:1 LPC plasmalogen BLPC P-18:0 or LPC O-18:1ME635620--7.47508.3754
C20:0 LPELPE 20:0ME635628--7.68510.3546
C18:3 LPCLPC 18:3ME635608--7.76518.321
C18:2 LPCLPC 18:2ME635609--7.73520.3391
C18:1 LPCLPC 18:1ME635610--7.67522.3549
C18:0 LPCLPC 18:0ME635611--7.62524.3704
C22:6 LPELPE 22:6ME635629--6.1526.2926
C16:0 Ceramide (d18:1)Cer 18:1;O2/16:0ME635665--1.88538.519
C20:5 LPCLPC 20:5ME635612--7.73542.3213
C20:4 LPC ALPC 20:4ME635613--7.65544.3394
C20:4 LPC BLPC 20:4ME635614--7.54544.3394
C20:3 LPCLPC 20:3ME635615--7.58546.3522
C20:1 LPCLPC 20:1ME635616--7.57550.3864
biliverdinBiliverdinME635484--1.98583.2531
C24:0 LPCLPC 24:0ME635617--7.33608.4635
C34:1 DAGDG 34:1ME635667--1.61617.5102
C24:1 ceramide (d18:1)Cer 18:1;O2/24:1ME635666--1.82648.6257
C14:0 SMSM 18:1;O2/14:0ME635654--7.26675.5382
C34:3 PE plasmalogenPE P-34:2 or PE O-34:3ME635646--5.44700.5227
C16:1 SMSM 18:1;O2/16:1ME635655--7.21701.5544
C34:2 PE plasmalogenPE P-34:1 or PE O-34:2ME635647--5.43702.5385
C16:0 SMSM 18:1;O2/16:0ME635656--7.2703.5696
C30:0 PCPC 30:0ME635630--6.69706.5335
C34:2 PEPE 34:2ME635639--5.49716.5181
C34:0 PEPE 34:0ME635640--6.67720.5494
C36:5 PE plasmalogenPE P-36:4 or PE O-36:5ME635648--5.37724.5232
C36:3 PE plasmalogenPE P-36:2 or PE O-36:3ME635636--5.4728.5546
C18:1 SMSM 18:1;O2/18:1ME635657--7.13729.5862
C32:2 PCPC 32:2ME635631--6.65730.5341
C18:0 SMSM 18:1;O2/18:0ME635658--7.12731.6017
C36:4 PEPE 36:4ME635641--5.42740.5184
methylguanidineMethylguanidineME635551--6.874.0712
C34:3 PC plasmalogenPC P-34:2 or PC O-34:3ME635634--6.56742.5704
C36:2 PEPE 36:2ME635642--5.45744.5496
C38:7 PE plasmalogenPE P-38:6 or PE O-38:7ME635649--5.35748.5209
C38:6 PE plasmalogenPE P-38:5 or PE O-38:6ME635650--5.34750.5366
C38:5 PE plasmalogenPE P-38:4 or PE O-38:5ME635651--5.33752.5518
C34:3 PCPC 34:3ME635632--6.65756.5454
C20:0 SMSM 18:1;O2/20:0ME635659--7.05759.6309
glycineGlycineME635531--7.8976.0393
trimethylamine-N-oxideTrimethylamine N-oxideME635596--8.176.0756
C38:6 PEPE 38:6ME635643--5.4764.516
C36:5 PC plasmalogenPC P-36:4 or PC O-36:5ME635635--6.48766.5682
C38:4 PEPE 38:4ME635644--5.38768.5473
C36:2 PS plasmalogenPS O-36:2ME635653--6.71774.5588
C40:7 PE plasmalogenPE P-40:6 or PE O-40:7ME635652--5.31776.5524
C22:1 SMSM 18:1;O2/22:1ME635660--7785.6471
C36:2 PCPC 36:2ME635633--6.56786.5942
C22:0 SMSM 18:1;O2/22:0ME635661--7787.6621
C38:7 PC plasmalogenPC P-38:6 or PC O-38:7ME635637--6.45790.5683
C40:6 PEPE 40:6ME635645--5.37792.5476
C38:6 PC plasmalogenPC P-38:5 or PC O-38:6ME635638--6.44792.5844
putrescinePutrescineME635585--9.3989.1073
alanineAlanineME635473--7.7890.055
beta-alaninebeta-AlanineME635481--7.9790.055


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