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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
cyclohexylamineCyclohexylamineME624395--6.45100.1122
N-nitroso-pyrrolidineN-Nitroso-pyrrolidineME624448--2.06101.0712
cadaverineCadaverineME624389--9.33103.1232
GABAgamma-Aminobutyric acidME624400--7.52104.0708
cholineCholineME624391--8.3104.1072
serineSerineME624464--7.61106.0501
hypotaurineHypotaurineME624412--7.94110.0274
histamineHistamineME624408--9.21112.0873
creatinineCreatinineME624394--6.48114.0665
prolineProlineME624457--8.09116.071
guanidinoacetateGuanidoacetic acidME624405--7.81118.0614
betaineBetaineME624361--8.96118.0866
valineValineME624476--7.39118.0866
threonineThreonineME624469--7.53120.0659
trimethylbenzeneTrimethylbenzeneME624472--1.77121.1016
cysteineCysteineME624396--7.19122.0273
niacinamideNiacinamideME624445--3.79123.0557
taurineTaurineME624467--6.02126.0222
5-methylcytosine5-MethylcytosineME624342--6.13126.0664
1-methylhistamine1-MethylhistamineME624331--9.64126.1028
valine-d8ValineME624329--7.4126.1367
pipecolatePipecolic acidME624455--7.96130.0863
N-acetylputrescineN-AcetylputrescineME624441--7.93131.1179
agmatineAgmatineME624348--9.15131.1292
hydroxyprolineHydroxyprolineME624411--7.84132.0656
N-acetylalanineN-AcetylalanineME624433--3.53132.0656
beta-guanidinopropionate3-Guanidinopropanoic acidME624360--7.46132.0768
creatineCreatineME624393--8.27132.0768
alloisoleucineAlloisoleucineME624352--8.15132.102
isoleucineIsoleucineME624415--7.09132.102
leucineLeucineME624417--6.95132.102
asparagineAsparagineME624357--7.85133.0608
N-carbamoyl-beta-alanineUreidopropionic acidME624444--4.08133.0608
ornithineOrnithineME624450--9.32133.0972
aspartateAspartic acidME624358--7.84134.0448
1-methylnicotinamide1-Methyl nicotinamideME624332--8.23137.0707
trigonellineTrigonellineME624470--8.86138.0548
urocanateUrocanic acidME624475--4.62139.0501
imidazole propionateImidazole propanoateME624413--7.43141.0656
methylimidazoleacetateMethylimidazoleacetic acidME624423--8.84141.0657
ectoineEctoineME624399--8.9143.0813
proline-betaineProline betaineME624458--9.25144.1017
4-acetamidobutanoate4-Acetamidobutanoic acidME624339--3.22146.0809
4-guanidinobutanoate4-Guanidinobutanoic acidME624340--7.22146.092
acetylcholineAcetylcholineME624344--7.8146.1172
butyrobetaine3-DehydroxycarnitineME624363--8.75146.1172
glutamineGlutamineME624402--7.97147.076
lysineLysineME624419--9.33147.1125
glutamateGlutamic acidME624401--7.56148.0601
methionineMethionineME624420--7.02150.0579
S-methyl-L-cysteine-S-oxideS-Methylcysteine S-oxideME624466--8.66152.0383
xanthineXanthineME624477--3.7153.0403
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME624426--4.32153.0656
histidineHistidineME624409--9.32156.0763
allantoinAllantoinME624351--3.54159.0507
ala-alaAla-AlaME624349--8.03161.0915
N6-methyllysineN(6)-MethyllysineME624432--9.97161.1279
carnitineCarnitineME624364--8.78162.1119
7-methylguanine7-MethylguanineME624343--5.75166.0717
methyl N-methylanthranilateMethyl N-methylanthranilateME624421--1.99166.0856
phenylalaninePhenylalanineME624453--6.7166.0856
3-methoxytyramine3-MethoxytyramineME624337--6.4168.1012
pyridoxaminePyridoxamineME624460--8.99169.0965
3-methylhistidine3-MethylhistidineME624338--9.8170.0917
pro-glyPro-GlyME624456--8.41173.0914
N-acetylleucineN-AcetylleucineME624437--2.89174.1117
phenylalanine-d8PhenylalanineME624328--6.71174.1357
N-acetylornithineN-AcetylornithineME624439--8.37175.1069
arginineArginineME624356--9.11175.1182
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME624430--10.23175.1434
N-acetylaspartateN-Acetylaspartic acidME624434--4.32176.0545
citrullineCitrullineME624392--8.31176.1021
serotoninSerotoninME624465--6.28177.1014
hippurateHippuric acidME624407--2.68180.0646
tyrosineTyrosineME624474--6.78182.0802
phosphocholineCholine phosphateME624454--10.81184.0724
acisogaAcisogaME624345--5.68185.1275
N1-acetylspermidineN1-AcetylspermidineME624425--9.83188.1748
N-acetylglutamineN-AcetylglutamineME624435--6.91189.086
N6-acetyllysineN6-AcetyllysineME624431--8.35189.1223
homoarginineHomoarginineME624410--9.15189.1336
NMMATarginineME624447--9.33189.1336
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME624429--11.2189.1588
kynurenateKynurenic acidME624416--5.2190.0488
N-acetylmethionineN-AcetylmethionineME624438--3.4192.068
N-acetylhistidineN-AcetylhistidineME624436--8.43198.0863
ADMADimethylarginineME624347--9.77203.1494
SDMASymmetric dimethylarginineME624463--9.63203.1494
C2 carnitineCAR 2:0ME624365--8.66204.122
tryptophanTryptophanME624473--6.48205.0961
pantothenolPantothenolME624452--3.83206.1377
N-acetylphenylalanineN-AcetylphenylalanineME624440--3.08208.0959
N-alpha-acetylargininePelargonidinME624443--8.14217.1286
C3 carnitineCAR 3:0ME624366--8.32218.1378
pantothenatePantothenic acidME624451--2.97220.117
2'-deoxycytidineDeoxycytidineME624335--5.98228.0969
C4 carnitineCAR 4:0ME624369--7.99232.1536
cystineCystineME624397--8.98241.0304
anserineAnserineME624354--10.44241.1286
cytidineCytidineME624398--5.85244.0923
C5:1 carnitineCAR 5:1ME624372--7.85244.154
C5 carnitineCAR 5:0ME624371--7.78246.1695
N-acetyltryptophanN-Acetyl-tryptophanME624442--2.78247.1072
C3-DC carnitineCAR DC3:0ME624367--9.38248.1125
C4-OH carnitineCAR 4:0;OHME624370--8.82248.1488
2'-deoxyadenosineDeoxyadenosineME624334--5.21252.1086
5-methylcytidine5-MethylcytidineME624341--6258.1082
alpha-glycerophosphocholinesn-Glycero-3-phosphocholineME624353--10.37258.1098
N-lauroylglycineNAGly 12:0ME624446--2.41258.2062
C6 carnitineCAR 6:0ME624373--7.54260.1854
C3-DC-CH3 carnitineCAR 3:0;2MeME624368--8.53262.1283
thiamineThiamineME624468--9.77265.1115
adenosineAdenosineME624346--4.99268.1037
inosineInosineME624414--4.81269.0877
1-methyladenosine1-MethyladenosineME624330--7.68282.1193
2'-O-methyladenosine2'-O-MethyladenosineME624336--4.68282.1194
guanosineGuanosineME624406--5.26284.0986
xanthosineXanthosineME624478--4.32285.0825
N4-acetylcytidineN4-AcetylcytidineME624428--4.26286.1029
C8 carnitineCAR 8:0ME624374--7.32288.2166
methylthioadenosineMethylthioadenosineME624424--4.25298.0963
sphingosineSphingosineME624527--5.78300.2891
sphinganineSphinganineME624529--5.8302.3047
glutathione reducedGlutathioneME624403--7.79308.0905
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME624427--5.32312.1297
C10 carnitineCAR 10:0ME624375--7.13316.2475
phytosphingosinePhytosphingosineME624528--5.89318.2996
linoleoyl ethanolamideLinoleoyl-EAME624418--2324.2891
cAMP3',5' cyclic AMPME624533--6.92330.0592
oleoyl glycineNAGly 18:1(9Z)ME624449--1.86340.2838
C12:1 carnitineCAR 12:1ME624377--6.96342.2632
C12 carnitineCAR 12:0ME624376--6.94344.2788
21-deoxycortisol21-DeoxycortisolME624333--2.02347.221
arachidoyl ethanolamideEicosanoyl-EAME624355--2356.3517
C-glycosyltryptophanC-GlycosyltryptophanME624390--7.06367.1492
C14:2 carnitineCAR 14:2ME624380--6.85368.2789
C14:1 carnitineCAR 14:1ME624379--6.79370.2944
C14 carnitineCAR 14:0ME624378--6.78372.31
S-adenosylhomocysteineS-AdenosylhomocysteineME624461--8.09385.1282
S-adenosylmethionineS-AdenosylmethionineME624462--10.11399.1438
C16 carnitineCAR 16:0ME624381--6.67400.3412
C16-OH carnitineCAR 16:0;OHME624382--7.1416.3364
C18:2 carnitineCAR 18:2ME624386--6.61424.3415
C18:1 carnitineCAR 18:1ME624384--6.58426.357
C18 carnitineCAR 18:0ME624383--6.55428.3728
C18:1-OH carnitineCAR 18:1;OHME624385--7.02442.3521
C20:4 carnitineCAR 20:4ME624388--6.53448.3413
C16:0 LPELPE 16:0ME624493--6.25454.2924
C20 carnitineCAR 20:0ME624387--6.45456.404
C14:0 LPCLPC 14:0ME624479--7.87468.3081
C18:3 LPELPE 18:3ME624494--6.25476.2744
C18:1 LPELPE 18:1ME624495--6.13480.3081
C18:0 LPELPE 18:0ME624496--6.18482.324
C16:1 LPCLPC 16:1ME624480--7.79494.3239
C16:0 LPCLPC 16:0ME624481--7.73496.3396
C20:4 LPELPE 20:4ME624497--6.1502.2927
C18:1 LPC plasmalogen ALPC P-18:0 or LPC O-18:1ME624491--7.77508.376
C18:1 LPC plasmalogen BLPC P-18:0 or LPC O-18:1ME624492--7.45508.3761
C20:0 LPELPE 20:0ME624498--7.66510.3555
C18:3 LPCLPC 18:3ME624482--7.74518.3217
C18:2 LPCLPC 18:2ME624483--7.72520.3401
C18:1 LPCLPC 18:1ME624484--7.66522.3556
C18:0 LPCLPC 18:0ME624485--7.61524.3714
C22:6 LPELPE 22:6ME624499--6.08526.293
C16:0 Ceramide (d18:1)Cer 18:1;O2/16:0ME624530--1.87538.5201
C20:4 LPCLPC 20:4ME624486--7.51544.34
C20:1 LPCLPC 20:1ME624487--7.53550.3872
C22:6 LPCLPC 22:6ME624488--7.49568.3386
C22:4 LPCLPC 22:4ME624489--7.44572.3699
methylguanidineMethylguanidineME624422--6.81574.0709
biliverdinBiliverdinME624362--1.97583.2541
C24:0 LPCLPC 24:0ME624490--7.31608.4645
C34:1 DAGDG 34:1ME624532--1.6617.5106
C24:1 ceramide (d18:1)Cer 18:1;O2/24:1ME624531--1.83648.6262
C34:3 PE plasmalogenPE P-34:2 or PE O-34:3ME624515--5.43700.5238
C16:1 SMSM 18:1;O2/16:1ME624522--7.2701.5553
C34:2 PE plasmalogenPE P-34:1 or PE O-34:2ME624516--5.43702.5395
C16:0 SMSM 18:1;O2/16:0ME624523--7.18703.5711
C30:0 PCPC 30:0ME624500--6.71706.5345
C34:2 PEPE 34:2ME624508--5.47716.5191
C34:0 PEPE 34:0ME624509--6.7720.5505
C36:5 PE plasmalogenPE P-36:4 or PE O-36:5ME624517--5.36724.5242
C36:3 PE plasmalogenPE P-36:2 or PE O-36:3ME624505--5.41728.5556
C18:1 SMSM 18:1;O2/18:1ME624524--7.13729.5872
C18:0 SMSM 18:1;O2/18:0ME624525--7.11731.6023
C36:4 PEPE 36:4ME624510--5.41740.5194
C34:3 PC plasmalogenPC P-34:2 or PC O-34:3ME624503--6.56742.5717
C36:2 PEPE 36:2ME624511--5.44744.5508
C38:7 PE plasmalogenPE P-38:6 or PE O-38:7ME624518--5.34748.5222
C38:6 PE plasmalogenPE P-38:5 or PE O-38:6ME624519--5.33750.537
C38:5 PE plasmalogenPE P-38:4 or PE O-38:5ME624520--5.33752.5531
C34:4 PCPC 34:4ME624501--6.57754.5331
C34:3 PCPC 34:3ME624502--6.71756.5454
C20:0 SMSM 18:1;O2/20:0ME624526--7.06759.6309
glycineGlycineME624404--7.8776.0394
trimethylamine-N-oxideTrimethylamine N-oxideME624471--8.1176.0758
C38:6 PEPE 38:6ME624512--5.4764.5172
C36:5 PC plasmalogenPC P-36:4 or PC O-36:5ME624504--6.48766.5691
C38:4 PEPE 38:4ME624513--5.38768.5483
C40:7 PE plasmalogenPE P-40:6 or PE O-40:7ME624521--5.3776.5534
C38:7 PC plasmalogenPC P-38:6 or PC O-38:7ME624506--6.45790.5699
C40:6 PEPE 40:6ME624514--5.36792.5486
C38:6 PC plasmalogenPC P-38:5 or PC O-38:6ME624507--6.44792.5849
putrescinePutrescineME624459--9.3989.1074
alanineAlanineME624350--7.7690.0551
beta-alaninebeta-AlanineME624359--7.9790.0552


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