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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
cyclohexylamineCyclohexylamineME632759--6.44100.1121
2-aminoisobutyrateAminoisobutyric acidME632691--7.61104.0707
dimethylglycineDimethylglycineME632762--8.52104.0707
GABAgamma-Aminobutyric acidME632765--7.52104.0707
cholineCholineME632755--8.28104.107
serineSerineME632837--7.62106.05
hypotaurineHypotaurineME632781--7.95110.0272
cytosineCytosineME632761--6112.0507
histamineHistamineME632776--9.2112.0871
creatinineCreatinineME632758--6.48114.0664
prolineProlineME632828--8.09116.0708
guanidinoacetateGuanidoacetic acidME632772--7.82118.0613
betaineBetaineME632720--8.96118.0864
valineValineME632850--7.39118.0865
threonineThreonineME632842--7.53120.0658
trimethylbenzeneTrimethylbenzeneME632845--1.66121.1015
niacinamideNiacinamideME632815--3.81123.0555
taurineTaurineME632840--6.04126.0221
5-methylcytosine5-MethylcytosineME632701--6.12126.0663
1-methylhistamine1-MethylhistamineME632688--9.61126.1027
valine-d8ValineME632686--7.41126.1366
imidazoleacetateImidazoleacetic acidME632783--8.03127.0503
N-methylprolineN-Methyl-prolineME632817--8.61130.0862
pipecolatePipecolic acidME632826--7.97130.0862
N-acetylputrescineN-AcetylputrescineME632811--7.93131.1178
hydroxyprolineHydroxyprolineME632780--7.85132.0654
beta-guanidinopropionate3-Guanidinopropanoic acidME632719--7.46132.0767
creatineCreatineME632757--8.28132.0767
alloisoleucineAlloisoleucineME632711--8.14132.1018
isoleucineIsoleucineME632785--7.08132.1018
leucineLeucineME632788--6.96132.1018
asparagineAsparagineME632716--7.85133.0607
N-carbamoyl-beta-alanineUreidopropionic acidME632814--4.11133.0607
ornithineOrnithineME632819--9.22133.0971
aspartateAspartic acidME632717--7.82134.0447
1-methylnicotinamide1-Methyl nicotinamideME632689--8.24137.0706
trigonellineTrigonellineME632843--8.87138.0546
urocanateUrocanic acidME632849--4.59139.0499
imidazole propionateImidazole propanoateME632782--7.43141.0655
methylimidazoleacetateMethylimidazoleacetic acidME632795--8.83141.0655
ectoineEctoineME632764--8.89143.0811
proline-betaineProline betaineME632829--9.25144.1015
4-guanidinobutanoate4-Guanidinobutanoic acidME632697--7.23146.0919
acetylcholineAcetylcholineME632703--7.8146.1171
butyrobetaine3-DehydroxycarnitineME632723--8.74146.1171
glutamineGlutamineME632767--7.98147.0759
lysineLysineME632790--9.33147.1123
glutamateGlutamic acidME632766--7.55148.0599
methionineMethionineME632791--7.01150.0578
S-methyl-L-cysteine-S-oxideS-Methylcysteine S-oxideME632839--8.56152.0381
oxypurinolOxypurinolME632820--3.68153.0401
xanthineXanthineME632852--3.72153.0401
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME632798--4.33153.0653
N-acetylhistamineN-AcetylhistamineME632806--7.74154.0968
histidineHistidineME632777--9.15156.0761
allantoinAllantoinME632710--3.6159.0506
ala-alaAla-AlaME632708--8.03161.0914
N6-methyllysineN(6)-MethyllysineME632803--9.56161.1278
carnitineCarnitineME632725--8.78162.1117
acetylcysteineN-AcetylcysteineME632704--4.35164.0369
pterinPterinME632831--4.72164.0561
methionine sulfoxideMethionine sulfoxideME632792--8.59166.0524
7-methylguanine7-MethylguanineME632702--5.77166.0715
methyl N-methylanthranilateMethyl N-methylanthranilateME632793--1.99166.0854
phenylalaninePhenylalanineME632824--6.7166.0855
urateUric acidME632848--4.12169.0348
3-methylhistidine3-MethylhistidineME632696--9.78170.0915
pro-glyPro-GlyME632827--8.44173.0911
N-acetylleucineN-AcetylleucineME632808--2.87174.1115
phenylalanine-d8PhenylalanineME632685--6.71174.1355
N-acetylornithineN-AcetylornithineME632810--8.38175.1067
arginineArginineME632715--9.11175.118
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME632801--10.23175.1431
N-acetylaspartateN-Acetylaspartic acidME632804--4.25176.0544
guanidinosuccinateGuanidinosuccinic acidME632773--7.51176.0656
citrullineCitrullineME632756--8.3176.1019
serotoninSerotoninME632838--6.28177.1012
5-hydroxytryptophol5-HydroxytryptopholME632699--1.85178.0854
hippurateHippuric acidME632775--2.58180.0644
tyrosineTyrosineME632847--6.78182.0801
4-pyridoxate4-Pyridoxic acidME632698--4.06184.0594
phosphocholineCholine phosphateME632825--10.76184.0722
acisogaAcisogaME632705--5.68185.1273
N1-acetylspermidineN1-AcetylspermidineME632797--9.81188.1746
N-acetylglutamineN-AcetylglutamineME632805--6.92189.0858
N6-acetyllysineN6-AcetyllysineME632802--8.35189.1221
homoarginineHomoarginineME632778--9.16189.1334
NMMATarginineME632818--9.38189.1334
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME632800--11.2189.1586
kynurenateKynurenic acidME632786--5.21190.0486
homocitrullineHomocitrullineME632779--8.3190.1173
N-acetylmethionineN-AcetylmethionineME632809--3.39192.0678
phenylacetylglycinePhenylacetylglycineME632823--2.69194.0799
N-acetylhistidineN-AcetylhistidineME632807--8.43198.0861
DMGVDMGVME632763--7.76202.1172
ADMADimethylarginineME632707--9.73203.1491
SDMASymmetric dimethylarginineME632836--9.62203.1491
C2 carnitineCAR 2:0ME632726--8.65204.1218
tryptophanTryptophanME632846--6.48205.0959
N-alpha-acetylargininePelargonidinME632813--8.14217.1284
C3 carnitineCAR 3:0ME632727--8.31218.1375
pantothenatePantothenic acidME632821--3220.1168
N-acetylgalactosamineN-AcetylgalactosamineME632724--5.32222.0961
carnosineCarnosineME632753--9.72227.1126
2'-deoxycytidineDeoxycytidineME632693--6228.0966
2-deoxyuridineDeoxyuridineME632694--3.65229.0808
C4 carnitineCAR 4:0ME632730--7.99232.1534
biopterinBiopterinME632722--5.16238.0927
anserineAnserineME632713--10.45241.1284
cytidineCytidineME632760--5.85244.092
pseudouridinePseudouridineME632830--4.12245.0762
C5 carnitineCAR 5:0ME632732--7.76246.1692
N-acetyltryptophanN-Acetyl-tryptophanME632812--2.77247.1071
C3-DC carnitineCAR DC3:0ME632728--9.37248.1121
C4-OH carnitineCAR 4:0;OHME632731--8.83248.1485
2'-deoxyadenosineDeoxyadenosineME632692--5.2252.1084
5-methylcytidine5-MethylcytidineME632700--6.01258.1079
alpha-glycerophosphocholinesn-Glycero-3-phosphocholineME632712--10.38258.1095
N-lauroylglycineNAGly 12:0ME632816--2.41258.2058
C6 carnitineCAR 6:0ME632734--7.55260.1851
C3-DC-CH3 carnitineCAR 3:0;2MeME632729--8.51262.128
thiamineThiamineME632841--9.75265.1112
phenylacetylglutaminealpha-N-PhenylacetylglutamineME632822--4.55265.1176
adenosineAdenosineME632706--5.03268.1034
inosineInosineME632784--4.85269.0875
vitamin ARetinolME632851--1.58269.2258
C7 carnitineCAR 7:0ME632735--7.45274.2008
C5-DC carnitineCAR DC5:0ME632733--8.34276.1435
L-alpha-glutamyl-L-LysineGlu-LysME632787--9.64276.1547
2'-O-methyladenosine2'-O-MethyladenosineME632695--4.68282.1188
1-methyladenosine1-MethyladenosineME632687--7.68282.119
guanosineGuanosineME632774--5.26284.0983
xanthosineXanthosineME632853--4.3285.0823
N4-acetylcytidineN4-AcetylcytidineME632799--4.3286.1023
C8 carnitineCAR 8:0ME632736--7.34288.2162
methylthioadenosineMethylthioadenosineME632796--4.24298.0961
sphingosineSphingosineME632913--5.78300.2888
C9 carnitineCAR 9:0ME632737--7.23302.2318
sphinganineSphinganineME632915--5.8302.3043
glutathione reducedGlutathioneME632768--7.8308.0902
C10 carnitineCAR 10:0ME632738--7.12316.2473
phytosphingosinePhytosphingosineME632914--5.88318.2992
linoleoyl ethanolamideLinoleoyl-EAME632789--2324.2888
C12:1 carnitineCAR 12:1ME632740--6.98342.2628
C12 carnitineCAR 12:0ME632739--6.93344.2784
21-deoxycortisol21-DeoxycortisolME632690--2.02347.2206
arachidoyl ethanolamideEicosanoyl-EAME632714--2356.3511
C-glycosyltryptophanC-GlycosyltryptophanME632754--7.07367.1488
C14:2 carnitineCAR 14:2ME632743--6.84368.2784
C14:1 carnitineCAR 14:1ME632742--6.78370.294
C14 carnitineCAR 14:0ME632741--6.79372.3096
S-adenosylhomocysteineS-AdenosylhomocysteineME632833--8.09385.1278
S-adenosylmethionineS-AdenosylmethionineME632834--10.09399.1434
C16 carnitineCAR 16:0ME632744--6.68400.3409
C16-OH carnitineCAR 16:0;OHME632745--7.09416.336
C18:2 carnitineCAR 18:2ME632749--6.63424.3409
C18:1 carnitineCAR 18:1ME632747--6.59426.3567
C18 carnitineCAR 18:0ME632746--6.55428.3723
C18:1-OH carnitineCAR 18:1;OHME632748--7.02442.3517
C20:4 carnitineCAR 20:4ME632751--6.51448.3408
glycodeoxycholate/glycochenodeoxycholateGlycodeoxycholic acidME632771--4.18450.3205
C16:0 LPELPE 16:0ME632871--6.26454.2919
C20 carnitineCAR 20:0ME632750--6.44456.4039
glycocholateGlycocholic acidME632770--5.24466.3152
C14:0 LPCLPC 14:0ME632854--7.87468.3075
C18:3 LPELPE 18:3ME632872--6.26476.2739
C18:2 LPELPE 18:2ME632873--6.17478.2921
C18:1 LPELPE 18:1ME632874--6.22480.3078
C18:0 LPE ALPE 18:0ME632875--6.19482.3233
C18:0 LPE BLPE 18:0ME632876--7.8482.3233
C16:1 LPCLPC 16:1ME632855--7.79494.3234
C16:0 LPCLPC 16:0ME632856--7.74496.3391
C20:4 LPELPE 20:4ME632877--6.11502.2923
C18:1 LPC plasmalogen ALPC P-18:0 or LPC O-18:1ME632869--7.77508.3755
C18:1 LPC plasmalogen BLPC P-18:0 or LPC O-18:1ME632870--7.45508.3761
C20:0 LPELPE 20:0ME632878--7.67510.3548
C18:3 LPCLPC 18:3ME632857--7.75518.3212
C18:2 LPC ALPC 18:2ME632858--7.63520.3394
C18:2 LPC BLPC 18:2ME632859--7.73520.3394
C18:1 LPCLPC 18:1ME632860--7.67522.3553
C18:0 LPCLPC 18:0ME632861--7.62524.3707
C22:6 LPELPE 22:6ME632879--6.09526.2925
C16:0 Ceramide (d18:1)Cer 18:1;O2/16:0ME632916--1.88538.5192
C26 carnitineCAR 26:0ME632752--6.24540.4991
C20:4 LPCLPC 20:4ME632862--7.52544.3398
C20:3 LPCLPC 20:3ME632863--7.64546.3531
C20:1 LPCLPC 20:1ME632864--7.53550.3866
C22:6 LPCLPC 22:6ME632865--7.49568.3379
C22:5 LPCLPC 22:5ME632866--7.49570.354
C22:4 LPCLPC 22:4ME632867--7.45572.3695
biliverdinBiliverdinME632721--1.97583.2535
C24:0 LPCLPC 24:0ME632868--7.32608.4638
C24:1 ceramide (d18:1)Cer 18:1;O2/24:1ME632917--1.82648.6259
C14:0 SMSM 18:1;O2/14:0ME632905--7.25675.5384
C34:3 PE plasmalogenPE P-34:2 or PE O-34:3ME632896--5.46700.523
C16:1 SMSM 18:1;O2/16:1ME632906--7.21701.5547
C34:2 PE plasmalogenPE P-34:1 or PE O-34:2ME632897--5.45702.5391
C16:0 SMSM 18:1;O2/16:0ME632907--7.19703.5702
C30:0 PCPC 30:0ME632880--6.71706.5338
C34:2 PEPE 34:2ME632889--5.48716.5181
C34:0 PEPE 34:0ME632890--6.7720.5498
C36:5 PE plasmalogenPE P-36:4 or PE O-36:5ME632898--5.36724.5234
C18:1 SMSM 18:1;O2/18:1ME632908--7.13729.5866
C32:2 PCPC 32:2ME632881--6.69730.5342
C18:0 SMSM 18:1;O2/18:0ME632909--7.12731.6022
C36:4 PEPE 36:4ME632891--5.42740.5187
methylguanidineMethylguanidineME632794--6.874.0712
C34:3 PC plasmalogenPC P-34:2 or PC O-34:3ME632885--6.71742.5679
C36:2 PEPE 36:2ME632892--5.46744.5499
C38:7 PE plasmalogenPE P-38:6 or PE O-38:7ME632899--5.34748.5213
C38:6 PE plasmalogenPE P-38:5 or PE O-38:6ME632900--5.33750.5369
C38:5 PE plasmalogenPE P-38:4 or PE O-38:5ME632901--5.33752.5524
C34:4 PCPC 34:4ME632882--6.61754.5318
C34:3 PCPC 34:3ME632883--6.62756.5472
C20:0 SMSM 18:1;O2/20:0ME632910--7.06759.6313
glycineGlycineME632769--7.8876.0393
trimethylamine-N-oxideTrimethylamine N-oxideME632844--8.0976.0757
C38:6 PEPE 38:6ME632893--5.4764.5163
C36:5 PC plasmalogenPC P-36:4 or PC O-36:5ME632886--6.49766.5681
C38:4 PEPE 38:4ME632894--5.38768.5473
C36:3 PS plasmalogenPS P-36:2 or PS O-36:3ME632903--6.71772.543
C36:2 PS plasmalogenPS O-36:2ME632904--6.72774.5586
C40:7 PE plasmalogenPE P-40:6 or PE O-40:7ME632902--5.31776.5529
C22:1 SMSM 18:1;O2/22:1ME632911--7.01785.6477
C36:2 PCPC 36:2ME632884--6.61786.5945
C22:0 SMSM 18:1;O2/22:0ME632912--7787.6628
C38:7 PC plasmalogenPC P-38:6 or PC O-38:7ME632887--6.45790.5695
C40:6 PEPE 40:6ME632895--5.36792.5479
C38:6 PC plasmalogenPC P-38:5 or PC O-38:6ME632888--6.43792.5843
putrescinePutrescineME632832--9.3689.1073
sarcosineSarcosineME632835--8.0990.055
alanineAlanineME632709--7.7790.0551
beta-alaninebeta-AlanineME632718--7.9790.0551


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