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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-methyladenosine1-MethyladenosineME630847--7.64282.1192
1-methylguanosine1-MethylguanosineME630848--5.01298.1135
1-methylhistamine1-MethylhistamineME630849--9.56126.1028
1-methylnicotinamide1-Methyl nicotinamideME630850--8.2137.0708
21-deoxycortisol21-DeoxycortisolME630851--2.02347.2206
2'-deoxyadenosineDeoxyadenosineME630852--5.18252.1086
2'-deoxycytidineDeoxycytidineME630853--5.96228.0969
2'-O-methyladenosine2'-O-MethyladenosineME630854--4.63282.1192
3-methylhistidine3-MethylhistidineME630855--9.79170.0917
4-guanidinobutanoate4-Guanidinobutanoic acidME630856--7.23146.0921
4-pyridoxate4-Pyridoxic acidME630857--4.1184.0595
5-hydroxytryptophol5-HydroxytryptopholME630858--1.99178.0853
5-methylcytidine5-MethylcytidineME630859--6.01258.1081
5-methylcytosine5-MethylcytosineME630860--6.09126.0663
7-methylguanine7-MethylguanineME630861--5.74166.0717
acetylcholineAcetylcholineME630862--7.73146.1172
acisogaAcisogaME630863--5.6185.1275
adenosineAdenosineME630864--4.99268.1037
ADMADimethylarginineME630865--9.71203.1493
agmatineAgmatineME630866--9.09131.1292
ala-alaAla-AlaME630867--7.89161.0915
alanineAlanineME630868--7.7890.0551
allantoinAllantoinME630869--3.62159.0507
alpha-glycerophosphocholinesn-Glycero-3-phosphocholineME630870--10.41258.1098
alpha-hydroxymetoprololalpha-HydroxymetoprololME630871--7.42284.1852
anserineAnserineME630872--10.45241.1286
arachidoyl ethanolamideEicosanoyl-EAME630873--1.99356.3514
arginineArginineME630874--9.09175.1181
asparagineAsparagineME630875--7.88133.0608
aspartateAspartic acidME630876--7.92134.0448
beta-alaninebeta-AlanineME630877--7.9890.0551
beta-guanidinopropionate3-Guanidinopropanoic acidME630878--7.46132.0768
betaineBetaineME630879--8.96118.0865
biliverdinBiliverdinME630880--1.95583.2539
biopterinBiopterinME630881--5.16238.0927
butyrobetaine3-DehydroxycarnitineME630882--8.79146.1172
C10 carnitineCAR 10:0ME630896--7.09316.2475
C12:1 carnitineCAR 12:1ME630898--6.95342.263
C12 carnitineCAR 12:0ME630897--6.89344.2787
C14:0 LPCLPC 14:0ME631007--7.85468.3078
C14:0 SMSM 18:1;O2/14:0ME631059--7.21675.5388
C14:1 carnitineCAR 14:1ME630900--6.72370.2944
C14:2 carnitineCAR 14:2ME630901--6.79368.2787
C14 carnitineCAR 14:0ME630899--6.73372.3099
C16:0 Ceramide (d18:1)Cer 18:1;O2/16:0ME631069--1.86538.5196
C16:0 LPCLPC 16:0ME631009--7.69496.3393
C16:0 LPELPE 16:0ME631026--6.25454.2923
C16:0 SMSM 18:1;O2/16:0ME631061--7.13703.5705
C16:1 LPCLPC 16:1ME631008--7.76494.3238
C16:1 LPC plasmalogenLPC P-16:1 or LPC O-16:2ME631023--7.51480.3442
C16:1 LPELPE 16:1ME631072--8.17452.2771
C16:1 SMSM 18:1;O2/16:1ME631060--7.14701.5551
C16 carnitineCAR 16:0ME630902--6.61400.3412
C16-OH carnitineCAR 16:0;OHME630903--7.06416.3362
C18:0 LPCLPC 18:0ME631014--7.57524.371
C18:0 LPE ALPE 18:0ME631030--6.18482.3238
C18:0 LPE BLPE 18:0ME631031--7.76482.3238
C18:0 SMSM 18:1;O2/18:0ME631063--7.05731.6026
C18:1 carnitineCAR 18:1ME630905--6.53426.357
C18:1 LPCLPC 18:1ME631013--7.62522.3557
C18:1 LPC plasmalogen ALPC P-18:0 or LPC O-18:1ME631024--7.73508.3759
C18:1 LPC plasmalogen BLPC P-18:0 or LPC O-18:1ME631025--7.4508.376
C18:1 LPELPE 18:1ME631029--6.21480.3081
C18:1-OH carnitineCAR 18:1;OHME630906--6.97442.352
C18:1 SMSM 18:1;O2/18:1ME631062--7.07729.587
C18:2 carnitineCAR 18:2ME630907--6.59424.3413
C18:2 LPC ALPC 18:2ME631011--7.67520.3397
C18:2 LPC BLPC 18:2ME631012--7.57520.3398
C18:2 LPELPE 18:2ME631028--6.24478.2925
C18:3 LPCLPC 18:3ME631010--7.69518.3217
C18:3 LPELPE 18:3ME631027--6.25476.2745
C18 carnitineCAR 18:0ME630904--6.51428.3726
C20:0 LPELPE 20:0ME631033--7.63510.3552
C20:0 SMSM 18:1;O2/20:0ME631064--6.98759.6317
C20:1 LPCLPC 20:1ME631018--7.5550.3872
C20:3 LPCLPC 20:3ME631017--7.46546.3529
C20:4 carnitineCAR 20:4ME630909--6.48448.3413
C20:4 LPCLPC 20:4ME631016--7.6544.34
C20:4 LPELPE 20:4ME631032--6.11502.2926
C20:5 LPCLPC 20:5ME631015--7.67542.3228
C20 carnitineCAR 20:0ME630908--6.4456.4041
C22:0 SMSM 18:1;O2/22:0ME631065--6.93787.6632
C22:4 LPCLPC 22:4ME631021--7.32572.3619
C22:5 LPCLPC 22:5ME631020--7.43570.3547
C22:6 LPCLPC 22:6ME631019--7.44568.3384
C22:6 LPELPE 22:6ME631034--6.08526.2928
C24:0 LPCLPC 24:0ME631022--7.28608.4641
C24:1 ceramide (d18:1)Cer 18:1;O2/24:1ME631070--1.81648.6262
C26 carnitineCAR 26:0ME630910--6.2540.499
C2 carnitineCAR 2:0ME630885--8.69204.1219
C30:0 PCPC 30:0ME631035--6.63706.5345
C32:2 PCPC 32:2ME631036--6.59730.535
C34:0 PEPE 34:0ME631046--6.61720.5505
C34:1 DAGDG 34:1ME631071--1.59617.5107
C34:2 PEPE 34:2ME631045--5.47716.5188
C34:2 PE plasmalogenPE P-34:1 or PE O-34:2ME631053--5.42702.5392
C34:3 PCPC 34:3ME631038--6.61756.5468
C34:3 PC plasmalogenPC P-34:2 or PC O-34:3ME631040--6.5742.5713
C34:3 PE plasmalogenPE P-34:2 or PE O-34:3ME631052--5.42700.5236
C34:4 PCPC 34:4ME631037--6.52754.5329
C36:2 PCPC 36:2ME631039--6.51786.5951
C36:2 PEPE 36:2ME631048--5.44744.5506
C36:3 PE plasmalogenPE P-36:2 or PE O-36:3ME631042--5.4728.5554
C36:4 PEPE 36:4ME631047--5.41740.5193
C36:5 PC plasmalogenPC P-36:4 or PC O-36:5ME631041--6.42766.5691
C36:5 PE plasmalogenPE P-36:4 or PE O-36:5ME631054--5.35724.5241
C38:4 PEPE 38:4ME631050--5.38768.548
C38:5 PE plasmalogenPE P-38:4 or PE O-38:5ME631057--5.32752.5529
C38:6 PC plasmalogenPC P-38:5 or PC O-38:6ME631044--6.38792.5853
C38:6 PEPE 38:6ME631049--5.38764.517
C38:6 PE plasmalogenPE P-38:5 or PE O-38:6ME631056--5.32750.5375
C38:7 PC plasmalogenPC P-38:6 or PC O-38:7ME631043--6.39790.5696
C38:7 PE plasmalogenPE P-38:6 or PE O-38:7ME631055--5.33748.522
C3 carnitineCAR 3:0ME630886--8.33218.1377
C3-DC carnitineCAR DC3:0ME630887--9.49248.1123
C3-DC-CH3 carnitineCAR 3:0;2MeME630888--8.6262.1283
C40:6 PEPE 40:6ME631051--5.35792.5482
C40:7 PE plasmalogenPE P-40:6 or PE O-40:7ME631058--5.3776.5535
C4 carnitineCAR 4:0ME630889--7.99232.1535
C4-OH carnitineCAR 4:0;OHME630890--8.72248.1486
C5:1 carnitineCAR 5:1ME630892--7.86244.1537
C5 carnitineCAR 5:0ME630891--7.77246.1694
C6 carnitineCAR 6:0ME630893--7.55260.1853
C7 carnitineCAR 7:0ME630894--7.39274.2009
C8 carnitineCAR 8:0ME630895--7.3288.2165
cadaverineCadaverineME630911--9.27103.1232
cAMP3',5' cyclic AMPME631073--6.95330.0591
carnitineCarnitineME630884--8.83162.1118
C-glycosyltryptophanC-GlycosyltryptophanME630912--7.07367.1491
cholineCholineME630913--8.24104.1071
citrullineCitrullineME630914--8.32176.1021
creatineCreatineME630915--8.3132.0768
creatinineCreatinineME630916--6.44114.0665
cyclohexylamineCyclohexylamineME630917--6.38100.1122
cystineCystineME630918--9.02241.0303
cytidineCytidineME630919--5.84244.0923
dimethylglycineDimethylglycineME630920--8.51104.0708
ectoineEctoineME630921--8.91143.0812
GABAgamma-Aminobutyric acidME630922--7.54104.0707
glutamateGlutamic acidME630923--7.62148.06
glutamineGlutamineME630924--8147.076
glutathione reducedGlutathioneME630925--7.87308.0904
glycineGlycineME630926--7.976.0393
guanidinoacetateGuanidoacetic acidME630927--7.86118.0614
guanosineGuanosineME630928--5.27284.0985
hippurateHippuric acidME630929--2.7180.0646
histamineHistamineME630930--9.14112.0872
histidineHistidineME630931--9.21156.0763
homoarginineHomoarginineME630932--9.15189.1335
hydroxyprolineHydroxyprolineME630933--7.86132.0655
hypotaurineHypotaurineME630934--7.97110.0273
imidazoleacetateImidazoleacetic acidME630936--8.06127.0504
imidazole propionateImidazole propanoateME630935--7.42141.0656
inosineInosineME630937--4.87269.0877
isoleucineIsoleucineME630938--7.07132.1019
kynurenateKynurenic acidME630939--5.24190.0488
L-alpha-glutamyl-L-LysineGlu-LysME630940--9.67276.155
leucineLeucineME630941--6.94132.1019
leu-glyLeu-GlyME630942--7.44189.1223
linoleoyl ethanolamideLinoleoyl-EAME630943--1.99324.289
lysineLysineME630944--9.33147.1124
methionineMethionineME630945--7.01150.0579
methionine sulfoxideMethionine sulfoxideME630946--8.61166.0526
methylguanidineMethylguanidineME630948--6.7574.0713
methylimidazoleacetateMethylimidazoleacetic acidME630949--8.89141.0657
methyl N-methylanthranilateMethyl N-methylanthranilateME630947--1.99166.0855
methylthioadenosineMethylthioadenosineME630950--4.22298.0962
N1-acetylspermidineN1-AcetylspermidineME630951--9.77188.1747
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME630952--4.3153.0654
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME630953--5.33312.1296
N4-acetylcytidineN4-AcetylcytidineME630954--4.3286.1029
N6-acetyllysineN6-AcetyllysineME630957--8.36189.1223
N6-methyllysineN(6)-MethyllysineME630958--9.63161.1279
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME630956--10.22175.1433
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME630955--11.19189.1587
N-acetylaspartateN-Acetylaspartic acidME630959--4.59176.0545
N-acetylgalactosamineN-Acetyl-D-galactosamineME630883--5.49222.0962
N-acetylglutamineN-AcetylglutamineME630960--7.06189.0859
N-acetylhistamineN-AcetylhistamineME630961--7.7154.0969
N-acetylhistidineN-AcetylhistidineME630962--8.34198.0837
N-acetylleucineN-AcetylleucineME630963--2.9174.1117
N-acetylmethionineN-AcetylmethionineME630964--3.58192.068
N-acetylornithineN-AcetylornithineME630965--8.38175.1069
N-acetylputrescineN-AcetylputrescineME630966--7.88131.1179
N-acetyltryptophanN-Acetyl-tryptophanME630967--2.96247.107
N-alpha-acetylargininePelargonidinME630968--8.15217.1286
N-carbamoyl-beta-alanineUreidopropionic acidME630969--4.14133.0608
niacinamideNiacinamideME630970--3.75123.0557
N-lauroylglycineNAGly 12:0ME630971--2.4258.2061
N-methylprolineN-Methyl-prolineME630972--8.61130.0863
NMMATarginineME630973--9.32189.1336
ornithineOrnithineME630974--9.22133.0972
pantothenatePantothenic acidME630975--3.15220.117
pantothenolPantothenolME630976--3.79206.1377
phenylacetylglycinePhenylacetylglycineME630977--2.86194.0801
phenylalaninePhenylalanineME630978--6.68166.0856
phenylalanine-d8PhenylalanineME630845--6.69174.1356
phosphocholineCholine phosphateME630979--10.91184.0724
phytosphingosinePhytosphingosineME631067--5.83318.2995
pipecolatePipecolic acidME630980--7.96130.0863
progesteroneProgesteroneME630981--1.86315.231
pro-glyPro-GlyME630982--8.45173.0912
prolineProlineME630983--8.08116.0709
proline-betaineProline betaineME630984--9.22144.1016
pterinPterinME630985--4.75164.056
putrescinePutrescineME630986--9.3289.1074
S-adenosylhomocysteineS-AdenosylhomocysteineME630987--8.09385.1282
S-adenosylmethionineS-AdenosylmethionineME630988--10.09399.1437
SDMASymmetric dimethylarginineME630989--9.6203.1493
serineSerineME630990--7.64106.0501
serotoninSerotoninME630991--6.22177.1014
S-methyl-L-cysteine-S-oxideS-Methylcysteine S-oxideME630992--8.64152.0382
sphinganineSphinganineME631068--5.73302.3046
sphingosineSphingosineME631066--5.71300.2891
sulfamethoxazoleSulfamethoxazoleME630993--1.79254.059
taurineTaurineME630994--6.09126.0222
thiamineThiamineME630995--9.67265.1115
threonineThreonineME630996--7.58120.0659
trigonellineTrigonellineME630997--8.87138.0548
trimethylamine-N-oxideTrimethylamine N-oxideME630998--8.1276.0757
tryptophanTryptophanME630999--6.47205.0961
tyrosineTyrosineME631000--6.79182.0803
urateUric acidME631001--4.17169.0349
urocanateUrocanic acidME631002--4.55139.05
valineValineME631003--7.38118.0866
valine-d8ValineME630846--7.4126.1367
warfarinWarfarinME631004--1.71309.1117
xanthineXanthineME631005--3.79153.0402
xanthosineXanthosineME631006--4.37285.0826


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