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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
diacetylspermineN1,N12-DiacetylspermineME291867--10.21287.2435
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME291894--10.24175.1439
alpha-glycerophosphocholinesn-Glycero-3-phosphocholineME291827--10.53258.1095
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME291893--11.16189.1595
C34:1 DAGDG 34:1ME291983--1.69612.5549
C34:1 DAG*DG 34:1ME291982--1.69617.513
C34:2 DAGDG 34:2ME291981--1.69615.4972
bilirubinBilirubinME291832--1.79585.27
warfarinWarfarinME291949--1.82309.1113
myristoleateMyristoleic acidME291889--1.84227.2
C24:1 ceramide (d18:1)Cer 18:1;O2/24:1ME291999--1.86648.6282
valsartanValsartanME291948--1.9436.2336
C16:0 ceramide (d18:1)Cer 18:1;O2/16:0ME291998--1.92538.519
urobilinogenD-UrobilinogenME291931--2591.317
5-hydroxytryptophol5-HydroxytryptopholME291821--2.01178.086
piperinePiperineME291913--2.01286.143
4-hydroxy-3-methylacetophenone4-Hydroxy-3-methylacetophenoneME291817--2.04151.0752
biliverdinBiliverdinME291833--2.04583.2546
linoleoyl ethanolamideLinoleoyl-EAME291886--2.05324.2891
acetaminophenAcetaminophenME291939--2.06152.0704
cortisolCortisolME291862--2.06363.2159
cortisoneCortisoneME291863--2.06361.2004
anthranilic acid2-Aminobenzoic acidME291828--2.11138.0548
oleoyl glycineNAGly 18:1(9Z)ME291907--2.34340.2843
hippurateHippuric acidME291877--2.7180.0653
metronidazoleMetronidazoleME291946--2.71172.0715
N-acetylleucineN-AcetylleucineME291897--2.73174.1123
cinnamoylglycineCinnamoylglycineME291860--2.76206.081
4-hydroxyhippurate4-Hydroxyhippuric acidME291818--2.78196.0602
caffeineCaffeineME291937--2.83195.0875
ribothymidineRibothymidineME291917--2.88259.0919
N-acetyltryptophanN-Acetyl-tryptophanME291901--2.98247.1071
pantothenatePantothenic acidME291909--3.13220.1175
3-methylxanthine3-MethylxanthineME291815--3.31167.0562
allopurinol ribosideAllopurinol ribosideME291826--3.33269.0872
4-acetamidobutanoate4-Acetamidobutanoic acidME291816--3.41146.081
1,7-dimethyluric acid1,7-Dimethyluric acidME291809--3.48197.0667
allantoinAllantoinME291825--3.52159.0511
N-acetylmethionineN-AcetylmethionineME291898--3.57192.0687
niacinamideNiacinamideME291904--3.74123.0554
xanthineXanthineME291933--3.78153.0405
pantothenolPantothenolME291910--3.85206.1384
N-acetylalanineN-AcetylalanineME291896--3.97132.0654
N-carbamoyl-beta-alanineUreidopropionic acidME291903--4.23133.0607
pseudouridinePseudouridineME291916--4.25245.0762
N4-acetylcytidineN4-AcetylcytidineME291892--4.35286.1025
glycodeoxycholate/glycochenodeoxycholateGlycodeoxycholic acidME291875--4.38450.3208
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME291891--4.38153.0657
urateUric acidME291930--4.41169.0354
4-pyridoxate4-Pyridoxic acidME291819--4.46184.0602
urocanic acidUrocanic acidME291932--4.57139.0501
phenylacetylglutaminealpha-N-PhenylacetylglutamineME291911--4.86265.1176
hypoxanthineHypoxanthineME291881--4.98137.0456
hydroxycotininetrans-3-HydroxycotinineME291936--5.06193.0969
inosineInosineME291806--5.06269.0873
cotinineCotinineME291934--5.09177.102
adenosineAdenosineME291805--5.14268.1039
1-methylguanosine1-MethylguanosineME291811--5.26298.1139
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME291941--5.26313.0845
guanineGuanineME291876--5.46152.0566
8-hydroxy-deoxyguanosine8-Hydroxy-deoxyguanosineME291823--5.47284.0983
kynurenic acidKynurenic acidME291883--5.5190.0496
glycocholateGlycocholic acidME291874--5.59466.316
acetyl-galactosamineN-Acetyl-D-galactosamineME291824--5.62222.0968
C40:7 PE plasmalogenPE P-40:6 or PE O-40:7ME291996--5.63776.5573
C38:5 PE plasmalogenPE P-38:4 or PE O-38:5ME291995--5.64752.5572
C38:6 PE plasmalogenPE P-38:5 or PE O-38:6ME291994--5.64750.5419
C38:7 PE plasmalogenPE P-38:6 or PE O-38:7ME291993--5.65748.5265
C36:5 PE plasmalogenPE P-36:4 or PE O-36:5ME291991--5.67724.5267
C40:6 PEPE 40:6ME291988--5.67792.5523
C38:4 PEPE 38:4ME291987--5.69768.5523
C38:6 PEPE 38:6ME291986--5.7764.5215
C36:3 PE plasmalogenPE P-36:2 or PE O-36:3ME291992--5.71728.5578
C36:4 PEPE 36:4ME291984--5.72740.5219
C34:2 PE plasmalogenPE P-34:1 or PE O-34:2ME291990--5.73702.5417
C34:3 PE plasmalogenPE P-34:2 or PE O-34:3ME291989--5.74700.5267
C36:2 PEPE 36:2ME291985--5.76744.5528
C34:2 PEPE 34:2ME291979--5.78716.5218
acetaminophen glucuronidep-AcetamidophenylglucuronideME291940--5.79328.102
carvedilolCarvedilolME291938--5.86407.1961
thyroxineThyroxineME291926--5.89777.6931
7-methylguanine7-MethylguanineME291822--5.91166.0722
threo-sphingosine-ME291925--5.97300.289
sphinganineSphinganineME291921--6302.3045
metoprololMetoprololME291945--6.25268.19
taurineTaurineME291922--6.3126.0219
cytosineCytosineME291866--6.31112.0507
5-hydroxytryptophan5-Hydroxy-tryptophanME291820--6.33221.0916
C22:6 LPELPE 22:6ME291969--6.41526.2924
serotoninSerotoninME291920--6.42177.102
C18:0 LPELPE 18:0ME291966--6.43482.3239
C20:4 LPELPE 20:4ME291967--6.43502.2922
C26 carnitineCAR 26:0ME291858--6.44540.4983
quinineQuinineME291947--6.44325.1904
C18:1 LPELPE 18:1ME291965--6.46480.3084
C18:2 LPELPE 18:2ME291964--6.49478.2925
C16:0 LPELPE 16:0ME291963--6.5454.2924
2-aminooctanoate2-Aminocaprylic acidME291813--6.6160.1332
C38:6 PC plasmalogenPC P-38:5 or PC O-38:6ME291978--6.6792.5879
creatinineCreatinineME291865--6.6114.0663
C38:7 PC plasmalogenPC P-38:6 or PC O-38:7ME291977--6.61790.573
C36:5 PC plasmalogenPC P-36:4 or PC O-36:5ME291976--6.63766.5729
C20:4 carnitineCAR 20:4ME291857--6.68448.3413
tryptophanTryptophanME291808--6.68205.0967
Tryptophan_μM-ME291803--6.68205.0967
C18 carnitineCAR 18:0ME291854--6.71428.3729
C34:3 PC plasmalogenPC P-34:2 or PC O-34:3ME291975--6.71742.5731
C36:2 PCPC 36:2ME291974--6.72786.598
C18:1 carnitineCAR 18:1ME291855--6.74426.3569
C34:4 PCPC 34:4ME291972--6.74754.5381
kynurenineKynurenineME291807--6.75209.0915
Kynurenine_μM-ME291802--6.75209.0915
C34:3 PCPC 34:3ME291973--6.78756.5536
C18:2 carnitineCAR 18:2ME291856--6.79424.3412
C16 carnitineCAR 16:0ME291853--6.82400.3413
C32:2 PCPC 32:2ME291971--6.82730.537
C34:0 PEPE 34:0ME291980--6.83720.5527
C30:0 PCPC 30:0ME291970--6.85706.537
phenylalaninePhenylalanineME291912--6.87166.086
C36:2 PS plasmalogenPS O-36:2ME291997--6.89774.5632
C14:1 carnitineCAR 14:1ME291851--6.92370.2944
C14 carnitineCAR 14:0ME291850--6.92372.3101
atenololAtenololME291942--6.93267.1695
C14:2 carnitineCAR 14:2ME291852--6.98368.2788
tyrosineTyrosineME291929--6.99182.0809
C12 carnitineCAR 12:0ME291848--7.06344.2788
C12:1 carnitineCAR 12:1ME291849--7.08342.2632
leucineLeucineME291885--7.12132.1018
gabapentinGabapentinME291943--7.14172.1329
methionineMethionineME291888--7.2150.0581
C20:0 SMSM 18:1;O2/20:0ME292006--7.23759.6354
C10 carnitineCAR 10:0ME291847--7.24316.2474
cotinine N-oxideCotinine N-oxideME291935--7.24193.0965
C18:0 SMSM 18:1;O2/18:0ME292005--7.29731.6044
C18:2 SMSM 18:1;O2/18:2ME292004--7.29749.5555
C18:1 SMSM 18:1;O2/18:1ME292003--7.3729.5894
C9 carnitineCAR 9:0ME291846--7.31302.2317
metforminMetforminME291944--7.31130.1086
C16:0 SMSM 18:1;O2/16:0ME292002--7.34703.5739
C16:1 SMSM 18:1;O2/16:1ME292001--7.35701.5587
C8 carnitineCAR 8:0ME291845--7.45288.216
C14:0 SMSM 18:1;O2/14:0ME292000--7.46675.5426
imidazole propionateImidazole propanoateME291882--7.56141.0657
C18:1 LPC plasmalogen_BLPC P-18:0 or LPC O-18:1ME291962--7.6508.3759
C6 carnitineCAR 6:0ME291844--7.63260.185
C16:1 LPC plasmalogenLPC P-16:1 or LPC O-16:2ME291960--7.72480.3443
C22:5 LPCLPC 22:5ME291959--7.76570.3547
C22:6 LPCLPC 22:6ME291958--7.76568.3386
C18:0 LPCLPC 18:0ME291955--7.77524.3702
GABAgamma-Aminobutyric acidME291871--7.77104.0709
glutamateGlutamic acidME291872--7.77148.0602
threonineThreonineME291924--7.77120.0656
1-methyladenosine1-MethyladenosineME291810--7.78282.1189
C20:4 LPCLPC 20:4ME291957--7.8544.3382
C18:1 LPCLPC 18:1ME291954--7.81522.3548
C20:0 LPELPE 20:0ME291968--7.82510.355
C5 carnitineCAR 5:0ME291841--7.83246.1693
serineSerineME291919--7.83106.0501
C20:5 LPCLPC 20:5ME291956--7.86542.3212
C16:0 LPCLPC 16:0ME291952--7.88496.3393
C18:3 LPCLPC 18:3ME291953--7.88518.3214
C18:1 LPC plasmalogen_ALPC P-18:0 or LPC O-18:1ME291961--7.92508.3754
C16:1 LPCLPC 16:1ME291951--7.93494.3241
C5:1 carnitineCAR 5:1ME291842--7.93244.1537
alanineAlanineME291884--7.9490.0554
N-acetylputrescineN-AcetylputrescineME291900--7.96131.1178
C14:0 LPCLPC 14:0ME291950--8.01468.308
hydroxyprolineHydroxyprolineME291879--8.03132.0654
C4 carnitineCAR 4:0ME291839--8.05232.1538
asparagineAsparagineME291830--8.09133.0607
hypotaurineHypotaurineME291880--8.13110.0272
DMGVDMGVME291869--8.14202.1182
trimethylamine-N-oxideTrimethylamine N-oxideME291928--8.1476.0763
glutamineGlutamineME291873--8.18147.0762
prolineProlineME291914--8.2116.0707
1-methylnicotinamide1-Methyl nicotinamideME291812--8.25137.0708
N-alpha-acetylargininePelargonidinME291902--8.26217.1289
cholineCholineME291859--8.27104.1073
C3 carnitineCAR 3:0ME291837--8.34218.1382
C5-DC carnitineCAR DC5:0ME291843--8.38276.1435
creatineCreatineME291864--8.41132.0767
N6-acetyllysineN6-AcetyllysineME291895--8.46189.1231
citrullineCitrullineME291861--8.48176.1028
N-acetylornithineN-AcetylornithineME291899--8.51175.1076
C3-DC-CH3 carnitineCAR 3:0;2MeME291838--8.61262.1279
dimethylglycineDimethylglycineME291868--8.63104.0709
N-methylprolineN-Methyl-prolineME291905--8.67130.0862
C2 carnitineCAR 2:0ME291836--8.68204.1228
butyrobetaine3-DehydroxycarnitineME291834--8.76146.1174
C4-OH carnitineCAR 4:0;OHME291840--8.85248.1487
carnitineCarnitineME291835--8.87162.1123
trigonellineTrigonellineME291927--8.94138.0548
ectoineEctoineME291870--8.99143.0814
betaineBetaineME291831--9.02118.0863
arginineArginineME291829--9.21175.1188
proline-betaineProline betaineME291915--9.25144.1017
ornithineOrnithineME291908--9.41133.0971
NMMATarginineME291906--9.42189.1343
histidineHistidineME291878--9.43156.0767
lysineLysineME291887--9.45147.1126
thiamineThiamineME291923--9.55265.1112
N1-acetylspermidineN1-AcetylspermidineME291890--9.74188.1755
SDMASymmetric dimethylarginineME291918--9.74203.15
3-methylhistidine3-MethylhistidineME291814--9.9170.0923
Kyn/Trp-ME291804----


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