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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
cyclohexylamineCyclohexylamineME736439--6.38100.1121
cadaverineCadaverineME736431--9.24103.1231
dimethylglycineDimethylglycineME736442--8.49104.0707
GABAgamma-Aminobutyric acidME736444--7.58104.0707
cholineCholineME736434--8.24104.107
serineSerineME736509--7.61106.05
hypotaurineHypotaurineME736457--7.94110.0272
histamineHistamineME736453--9.11112.0871
creatinineCreatinineME736438--6.43114.0664
prolineProlineME736502--8.07116.0708
guanidinoacetateGuanidoacetic acidME736450--7.81118.0613
betaineBetaineME736401--8.94118.0864
valineValineME736521--7.37118.0864
threonineThreonineME736514--7.53120.0658
niacinamideNiacinamideME736489--3.81123.0555
taurineTaurineME736512--6.06126.022
5-methylcytosine5-MethylcytosineME736384--6.09126.0661
1-methylhistamine1-MethylhistamineME736376--9.54126.1027
valine-d8ValineME736374--7.38126.1366
imidazoleacetateImidazoleacetic acidME736459--8.04127.0503
N-methylprolineN-Methyl-prolineME736491--8.59130.0861
pipecolatePipecolic acidME736500--7.94130.0861
N-acetylputrescineN-AcetylputrescineME736485--7.87131.1178
hydroxyprolineHydroxyprolineME736456--7.82132.0654
beta-guanidinopropionate3-Guanidinopropanoic acidME736400--7.45132.0766
creatineCreatineME736437--8.28132.0766
isoleucineIsoleucineME736461--7.05132.1018
leucineLeucineME736464--6.92132.1018
asparagineAsparagineME736397--7.84133.0606
N-carbamoyl-beta-alanineUreidopropionic acidME736488--4.1133.0606
ornithineOrnithineME736494--9.18133.097
aspartateAspartic acidME736398--7.87134.0446
1-methylnicotinamide1-Methyl nicotinamideME736377--8.19137.0706
trigonellineTrigonellineME736515--8.85138.0546
urocanateUrocanic acidME736520--4.54139.0499
imidazole propionateImidazole propanoateME736458--7.41141.0655
methylimidazoleacetateMethylimidazoleacetic acidME736471--8.88141.0655
ectoineEctoineME736443--8.89143.081
proline-betaineProline betaineME736503--9.21144.1014
4-guanidinobutanoate4-Guanidinobutanoic acidME736381--7.27146.0919
acetylcholineAcetylcholineME736386--7.73146.117
butyrobetaine3-DehydroxycarnitineME736404--8.77146.117
glutamineGlutamineME736446--7.97147.0758
lysineLysineME736466--9.29147.1123
glutamateGlutamic acidME736445--7.59148.0599
methionineMethionineME736467--6.99150.0577
S-methyl-L-cysteine-S-oxideS-Methylcysteine S-oxideME736511--8.6152.038
xanthineXanthineME736523--3.72153.0401
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME736474--4.3153.0652
N-acetylhistamineN-AcetylhistamineME736481--7.69154.0968
histidineHistidineME736454--9.28156.0761
allantoinAllantoinME736392--3.59159.0506
ala-alaAla-AlaME736390--8.02161.0913
N6-methyllysineN(6)-MethyllysineME736479--9.65161.1277
carnitineCarnitineME736405--8.81162.1116
methionine sulfoxideMethionine sulfoxideME736468--8.58166.0523
7-methylguanine7-MethylguanineME736385--5.74166.0714
methyl N-methylanthranilateMethyl N-methylanthranilateME736469--1.98166.0854
phenylalaninePhenylalanineME736498--6.66166.0854
urateUric acidME736519--4.18169.0347
3-methylhistidine3-MethylhistidineME736380--9.71170.0915
pro-glyPro-GlyME736501--8.45173.0911
N-acetylleucineN-AcetylleucineME736483--2.86174.1115
phenylalanine-d8PhenylalanineME736373--6.67174.1354
N-acetylornithineN-AcetylornithineME736484--8.35175.1067
arginineArginineME736396--9.05175.1179
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME736477--10.17175.143
N-acetylaspartateN-Acetylaspartic acidME736480--4.53176.0543
citrullineCitrullineME736435--8.3176.1019
serotoninSerotoninME736510--6.22177.1012
5-hydroxytryptophol5-HydroxytryptopholME736382--1.84178.0851
hippurateHippuric acidME736452--2.64180.0644
tyrosineTyrosineME736518--6.76182.08
phosphocholineCholine phosphateME736499--10.79184.0722
acisogaAcisogaME736387--5.63185.1272
N1-acetylspermidineN1-AcetylspermidineME736473--9.74188.1745
N6-acetyllysineN6-AcetyllysineME736478--8.34189.122
homoarginineHomoarginineME736455--9.12189.1333
NMMATarginineME736492--9.28189.1333
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME736476--11.14189.1585
kynurenateKynurenic acidME736462--5.23190.0486
cotinine N-oxideCotinine N-oxideME736436--6.67193.0957
phenylacetylglycinePhenylacetylglycineME736497--2.79194.0799
N-acetylhistidineN-AcetylhistidineME736482--8.3198.0835
ADMADimethylarginineME736389--9.67203.1491
SDMASymmetric dimethylarginineME736508--9.56203.1491
C2 carnitineCAR 2:0ME736406--8.67204.1217
tryptophanTryptophanME736517--6.45205.0958
pantothenolPantothenolME736496--3.83206.1375
N-alpha-acetylargininePelargonidinME736487--8.14217.1284
C3 carnitineCAR 3:0ME736407--8.32218.1375
N-acetylserotoninN-AcetylserotoninME736486--2.6219.1116
pantothenatePantothenic acidME736495--3.12220.1167
carnosineCarnosineME736432--9.67227.1126
2'-deoxycytidineDeoxycytidineME736379--5.95228.0966
C4 carnitineCAR 4:0ME736410--8232.1533
biopterinBiopterinME736403--5.14238.0922
cystineCystineME736440--8.97241.0299
anserineAnserineME736394--10.39241.1284
cytidineCytidineME736441--5.82244.092
C5:1 carnitineCAR 5:1ME736413--7.85244.1535
pseudouridinePseudouridineME736504--3.95245.0759
C5 carnitineCAR 5:0ME736412--7.76246.1691
C3-DC carnitineCAR DC3:0ME736408--9.47248.1121
C4-OH carnitineCAR 4:0;OHME736411--8.86248.1484
5-methylcytidine5-MethylcytidineME736383--5.99258.1078
alpha-glycerophosphocholinesn-Glycero-3-phosphocholineME736393--10.37258.1094
N-lauroylglycineNAGly 12:0ME736490--2.39258.2058
C6 carnitineCAR 6:0ME736414--7.53260.185
C3-DC-CH3 carnitineCAR 3:0;2MeME736409--8.56262.128
thiamineThiamineME736513--9.66265.1111
adenosineAdenosineME736388--5268.1033
inosineInosineME736460--4.81269.0873
C7 carnitineCAR 7:0ME736415--7.4274.2007
L-alpha-glutamyl-L-LysineGlu-LysME736463--9.64276.1547
1-methyladenosine1-MethyladenosineME736375--7.63282.1189
guanosineGuanosineME736451--5.26284.0982
N4-acetylcytidineN4-AcetylcytidineME736475--4.27286.1026
C8 carnitineCAR 8:0ME736416--7.29288.2162
methylthioadenosineMethylthioadenosineME736472--4.22298.0959
sphingosineSphingosineME736582--5.71300.2887
sphinganineSphinganineME736584--5.73302.3043
glutathione reducedGlutathioneME736447--7.84308.0901
warfarinWarfarinME736522--1.71309.1115
C10 carnitineCAR 10:0ME736417--7.08316.2471
phytosphingosinePhytosphingosineME736583--5.82318.2991
linoleoyl ethanolamideLinoleoyl-EAME736465--1.98324.2887
oleoyl glycineNAGly 18:1(9Z)ME736493--2.4340.2835
C12:1 carnitineCAR 12:1ME736419--6.92342.2626
C12 carnitineCAR 12:0ME736418--6.88344.2783
21-deoxycortisol21-DeoxycortisolME736378--2.01347.2204
arachidoyl ethanolamideEicosanoyl-EAME736395--1.98356.351
C-glycosyltryptophanC-GlycosyltryptophanME736433--7.05367.1486
C14:2 carnitineCAR 14:2ME736422--6.79368.2783
C14:1 carnitineCAR 14:1ME736421--6.73370.2939
C14 carnitineCAR 14:0ME736420--6.73372.3095
S-adenosylhomocysteineS-AdenosylhomocysteineME736506--8.07385.1276
S-adenosylmethionineS-AdenosylmethionineME736507--10.05399.1432
C16 carnitineCAR 16:0ME736423--6.6400.3408
C16-OH carnitineCAR 16:0;OHME736424--7.05416.3358
C18:2 carnitineCAR 18:2ME736428--6.58424.3408
C18:1 carnitineCAR 18:1ME736426--6.52426.3565
C18 carnitineCAR 18:0ME736425--6.5428.3721
C18:1-OH carnitineCAR 18:1;OHME736427--6.96442.3516
C20:4 carnitineCAR 20:4ME736430--6.47448.3408
C16:0 LPELPE 16:0ME736542--6.23454.2918
C20 carnitineCAR 20:0ME736429--6.4456.4035
glycocholateGlycocholic acidME736449--5.32466.3153
C14:0 LPCLPC 14:0ME736524--7.82468.3073
C18:3 LPELPE 18:3ME736543--6.23476.2738
C18:2 LPELPE 18:2ME736544--6.21478.2919
C18:1 LPELPE 18:1ME736545--6.18480.3076
C16:1 LPC plasmalogenLPC P-16:1 or LPC O-16:2ME736539--7.5480.344
C18:0 LPE BLPE 18:0ME736547--7.74482.3232
C18:0 LPE ALPE 18:0ME736546--6.16482.3233
C16:1 LPCLPC 16:1ME736525--7.74494.3233
C16:0 LPCLPC 16:0ME736526--7.68496.3388
C20:4 LPELPE 20:4ME736548--6.08502.2919
C18:1 LPC plasmalogen BLPC P-18:0 or LPC O-18:1ME736541--7.39508.3753
C18:1 LPC plasmalogen ALPC P-18:0 or LPC O-18:1ME736540--7.72508.3754
C20:0 LPELPE 20:0ME736549--7.62510.3547
C18:3 LPCLPC 18:3ME736527--7.68518.321
C18:2 LPCLPC 18:2ME736528--7.66520.3391
C18:1 LPCLPC 18:1ME736529--7.61522.3549
C18:0 LPCLPC 18:0ME736530--7.56524.3705
C22:6 LPELPE 22:6ME736550--6.06526.2924
C16:0 Ceramide (d18:1)Cer 18:1;O2/16:0ME736585--1.86538.5191
C20:5 LPCLPC 20:5ME736531--7.66542.3214
C20:4 LPCLPC 20:4ME736532--7.6544.3394
C20:3 LPCLPC 20:3ME736533--7.53546.3524
C20:1 LPCLPC 20:1ME736534--7.49550.3865
C22:6 LPCLPC 22:6ME736535--7.43568.3377
C22:5 LPCLPC 22:5ME736536--7.43570.3535
C22:4 LPCLPC 22:4ME736537--7.38572.3674
biliverdinBiliverdinME736402--1.95583.2532
C24:0 LPCLPC 24:0ME736538--7.26608.4634
C34:1 DAGDG 34:1ME736587--1.6617.5103
C24:1 ceramide (d18:1)Cer 18:1;O2/24:1ME736586--1.8648.6256
C14:0 SMSM 18:1;O2/14:0ME736575--7.18675.5376
C34:3 PE plasmalogenPE P-34:2 or PE O-34:3ME736568--5.4700.5227
C16:1 SMSM 18:1;O2/16:1ME736576--7.14701.5545
C34:2 PE plasmalogenPE P-34:1 or PE O-34:2ME736569--5.4702.5384
C16:0 SMSM 18:1;O2/16:0ME736577--7.12703.5699
C30:0 PCPC 30:0ME736551--6.62706.5335
C34:2 PEPE 34:2ME736561--5.45716.518
C34:0 PEPE 34:0ME736562--6.6720.5495
C36:5 PE plasmalogenPE P-36:4 or PE O-36:5ME736570--5.33724.5232
C36:3 PE plasmalogenPE P-36:2 or PE O-36:3ME736558--5.37728.5546
C18:1 SMSM 18:1;O2/18:1ME736578--7.06729.5863
C32:2 PCPC 32:2ME736552--6.58730.5341
C18:0 SMSM 18:1;O2/18:0ME736579--7.05731.6019
C36:4 PEPE 36:4ME736563--5.39740.5184
methylguanidineMethylguanidineME736470--6.7574.0712
C34:3 PC plasmalogenPC P-34:2 or PC O-34:3ME736556--6.49742.5706
C36:2 PEPE 36:2ME736564--5.41744.5495
C38:7 PE plasmalogenPE P-38:6 or PE O-38:7ME736571--5.31748.5211
C38:6 PE plasmalogenPE P-38:5 or PE O-38:6ME736572--5.31750.5365
C38:5 PE plasmalogenPE P-38:4 or PE O-38:5ME736573--5.3752.552
C34:4 PCPC 34:4ME736553--6.5754.5323
C34:3 PCPC 34:3ME736554--6.6756.5461
C20:0 SMSM 18:1;O2/20:0ME736580--6.97759.6309
glycineGlycineME736448--7.8676.0392
trimethylamine-N-oxideTrimethylamine N-oxideME736516--8.1276.0756
C38:6 PEPE 38:6ME736565--5.37764.5161
C36:5 PC plasmalogenPC P-36:4 or PC O-36:5ME736557--6.41766.5681
C38:4 PEPE 38:4ME736566--5.35768.5471
C40:7 PE plasmalogenPE P-40:6 or PE O-40:7ME736574--5.27776.5525
C36:2 PCPC 36:2ME736555--6.5786.5942
C22:0 SMSM 18:1;O2/22:0ME736581--6.93787.6621
C38:7 PC plasmalogenPC P-38:6 or PC O-38:7ME736559--6.38790.5687
C40:6 PEPE 40:6ME736567--5.33792.5474
C38:6 PC plasmalogenPC P-38:5 or PC O-38:6ME736560--6.38792.5841
putrescinePutrescineME736505--9.2889.1073
alanineAlanineME736391--7.7590.055
beta-alaninebeta-AlanineME736399--7.9790.055


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