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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
1,7-dimethyluric acid1,7-Dimethyluric acidME291604--3.48197.0667
1-methyladenosine1-MethyladenosineME291605--7.78282.1189
1-methylguanosine1-MethylguanosineME291606--5.26298.1139
1-methylnicotinamide1-Methyl nicotinamideME291607--8.25137.0708
2-aminooctanoate2-Aminocaprylic acidME291608--6.6160.1332
3-methylhistidine3-MethylhistidineME291609--9.9170.0923
3-methylxanthine3-MethylxanthineME291610--3.31167.0562
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME291736--5.26313.0845
4-acetamidobutanoate4-Acetamidobutanoic acidME291611--3.41146.081
4-hydroxy-3-methylacetophenone4-Hydroxy-3-methylacetophenoneME291612--2.04151.0752
4-hydroxyhippurate4-Hydroxyhippuric acidME291613--2.78196.0602
4-pyridoxate4-Pyridoxic acidME291614--4.46184.0602
5-hydroxytryptophan5-Hydroxy-tryptophanME291615--6.33221.0916
5-hydroxytryptophol5-HydroxytryptopholME291616--2.01178.086
7-methylguanine7-MethylguanineME291617--5.91166.0722
8-hydroxy-deoxyguanosine8-Hydroxy-deoxyguanosineME291618--5.47284.0983
acetaminophenAcetaminophenME291734--2.06152.0704
acetaminophen glucuronidep-AcetamidophenylglucuronideME291735--5.79328.102
acetyl-galactosamineN-Acetyl-D-galactosamineME291619--5.62222.0968
adenosineAdenosineME291600--5.14268.1039
alanineAlanineME291679--7.9490.0554
allantoinAllantoinME291620--3.52159.0511
allopurinol ribosideAllopurinol ribosideME291621--3.33269.0872
alpha-glycerophosphocholinesn-Glycero-3-phosphocholineME291622--10.53258.1095
anthranilic acid2-Aminobenzoic acidME291623--2.11138.0548
arginineArginineME291624--9.21175.1188
asparagineAsparagineME291625--8.09133.0607
atenololAtenololME291737--6.93267.1695
betaineBetaineME291626--9.02118.0863
bilirubinBilirubinME291627--1.79585.27
biliverdinBiliverdinME291628--2.04583.2546
butyrobetaine3-DehydroxycarnitineME291629--8.76146.1174
C10 carnitineCAR 10:0ME291642--7.24316.2474
C12:1 carnitineCAR 12:1ME291644--7.08342.2632
C12 carnitineCAR 12:0ME291643--7.06344.2788
C14:0 LPCLPC 14:0ME291745--8.01468.308
C14:0 SMSM 18:1;O2/14:0ME291795--7.46675.5426
C14:1 carnitineCAR 14:1ME291646--6.92370.2944
C14:2 carnitineCAR 14:2ME291647--6.98368.2788
C14 carnitineCAR 14:0ME291645--6.92372.3101
C16:0 ceramide (d18:1)Cer 18:1;O2/16:0ME291793--1.92538.519
C16:0 LPCLPC 16:0ME291747--7.88496.3393
C16:0 LPELPE 16:0ME291758--6.5454.2924
C16:0 SMSM 18:1;O2/16:0ME291797--7.34703.5739
C16:1 LPCLPC 16:1ME291746--7.93494.3241
C16:1 LPC plasmalogenLPC P-16:1 or LPC O-16:2ME291755--7.72480.3443
C16:1 SMSM 18:1;O2/16:1ME291796--7.35701.5587
C16 carnitineCAR 16:0ME291648--6.82400.3413
C18:0 LPCLPC 18:0ME291750--7.77524.3702
C18:0 LPELPE 18:0ME291761--6.43482.3239
C18:0 SMSM 18:1;O2/18:0ME291800--7.29731.6044
C18:1 carnitineCAR 18:1ME291650--6.74426.3569
C18:1 LPCLPC 18:1ME291749--7.81522.3548
C18:1 LPC plasmalogen_ALPC P-18:0 or LPC O-18:1ME291756--7.92508.3754
C18:1 LPC plasmalogen_BLPC P-18:0 or LPC O-18:1ME291757--7.6508.3759
C18:1 LPELPE 18:1ME291760--6.46480.3084
C18:1 SMSM 18:1;O2/18:1ME291798--7.3729.5894
C18:2 carnitineCAR 18:2ME291651--6.79424.3412
C18:2 LPELPE 18:2ME291759--6.49478.2925
C18:2 SMSM 18:1;O2/18:2ME291799--7.29749.5555
C18:3 LPCLPC 18:3ME291748--7.88518.3214
C18 carnitineCAR 18:0ME291649--6.71428.3729
C20:0 LPELPE 20:0ME291763--7.82510.355
C20:0 SMSM 18:1;O2/20:0ME291801--7.23759.6354
C20:4 carnitineCAR 20:4ME291652--6.68448.3413
C20:4 LPCLPC 20:4ME291752--7.8544.3382
C20:4 LPELPE 20:4ME291762--6.43502.2922
C20:5 LPCLPC 20:5ME291751--7.86542.3212
C22:5 LPCLPC 22:5ME291754--7.76570.3547
C22:6 LPCLPC 22:6ME291753--7.76568.3386
C22:6 LPELPE 22:6ME291764--6.41526.2924
C24:1 ceramide (d18:1)Cer 18:1;O2/24:1ME291794--1.86648.6282
C26 carnitineCAR 26:0ME291653--6.44540.4983
C2 carnitineCAR 2:0ME291631--8.68204.1228
C30:0 PCPC 30:0ME291765--6.85706.537
C32:2 PCPC 32:2ME291766--6.82730.537
C34:0 PEPE 34:0ME291775--6.83720.5527
C34:1 DAGDG 34:1ME291778--1.69612.5549
C34:1 DAG*DG 34:1ME291777--1.69617.513
C34:2 DAGDG 34:2ME291776--1.69615.4972
C34:2 PEPE 34:2ME291774--5.78716.5218
C34:2 PE plasmalogenPE P-34:1 or PE O-34:2ME291785--5.73702.5417
C34:3 PCPC 34:3ME291768--6.78756.5536
C34:3 PC plasmalogenPC P-34:2 or PC O-34:3ME291770--6.71742.5731
C34:3 PE plasmalogenPE P-34:2 or PE O-34:3ME291784--5.74700.5267
C34:4 PCPC 34:4ME291767--6.74754.5381
C36:2 PCPC 36:2ME291769--6.72786.598
C36:2 PEPE 36:2ME291780--5.76744.5528
C36:2 PS plasmalogenPS O-36:2ME291792--6.89774.5632
C36:3 PE plasmalogenPE P-36:2 or PE O-36:3ME291787--5.71728.5578
C36:4 PEPE 36:4ME291779--5.72740.5219
C36:5 PC plasmalogenPC P-36:4 or PC O-36:5ME291771--6.63766.5729
C36:5 PE plasmalogenPE P-36:4 or PE O-36:5ME291786--5.67724.5267
C38:4 PEPE 38:4ME291782--5.69768.5523
C38:5 PE plasmalogenPE P-38:4 or PE O-38:5ME291790--5.64752.5572
C38:6 PC plasmalogenPC P-38:5 or PC O-38:6ME291773--6.6792.5879
C38:6 PEPE 38:6ME291781--5.7764.5215
C38:6 PE plasmalogenPE P-38:5 or PE O-38:6ME291789--5.64750.5419
C38:7 PC plasmalogenPC P-38:6 or PC O-38:7ME291772--6.61790.573
C38:7 PE plasmalogenPE P-38:6 or PE O-38:7ME291788--5.65748.5265
C3 carnitineCAR 3:0ME291632--8.34218.1382
C3-DC-CH3 carnitineCAR 3:0;2MeME291633--8.61262.1279
C40:6 PEPE 40:6ME291783--5.67792.5523
C40:7 PE plasmalogenPE P-40:6 or PE O-40:7ME291791--5.63776.5573
C4 carnitineCAR 4:0ME291634--8.05232.1538
C4-OH carnitineCAR 4:0;OHME291635--8.85248.1487
C5:1 carnitineCAR 5:1ME291637--7.93244.1537
C5 carnitineCAR 5:0ME291636--7.83246.1693
C5-DC carnitineCAR DC5:0ME291638--8.38276.1435
C6 carnitineCAR 6:0ME291639--7.63260.185
C8 carnitineCAR 8:0ME291640--7.45288.216
C9 carnitineCAR 9:0ME291641--7.31302.2317
caffeineCaffeineME291732--2.83195.0875
carnitineCarnitineME291630--8.87162.1123
carvedilolCarvedilolME291733--5.86407.1961
cholineCholineME291654--8.27104.1073
cinnamoylglycineCinnamoylglycineME291655--2.76206.081
citrullineCitrullineME291656--8.48176.1028
cortisolCortisolME291657--2.06363.2159
cortisoneCortisoneME291658--2.06361.2004
cotinineCotinineME291729--5.09177.102
cotinine N-oxideCotinine N-oxideME291730--7.24193.0965
creatineCreatineME291659--8.41132.0767
creatinineCreatinineME291660--6.6114.0663
cytosineCytosineME291661--6.31112.0507
diacetylspermineN1,N12-DiacetylspermineME291662--10.21287.2435
dimethylglycineDimethylglycineME291663--8.63104.0709
DMGVDMGVME291664--8.14202.1182
ectoineEctoineME291665--8.99143.0814
GABAgamma-Aminobutyric acidME291666--7.77104.0709
gabapentinGabapentinME291738--7.14172.1329
glutamateGlutamic acidME291667--7.77148.0602
glutamineGlutamineME291668--8.18147.0762
glycocholateGlycocholic acidME291669--5.59466.316
glycodeoxycholate/glycochenodeoxycholateGlycodeoxycholic acidME291670--4.38450.3208
guanineGuanineME291671--5.46152.0566
hippurateHippuric acidME291672--2.7180.0653
histidineHistidineME291673--9.43156.0767
hydroxycotininetrans-3-HydroxycotinineME291731--5.06193.0969
hydroxyprolineHydroxyprolineME291674--8.03132.0654
hypotaurineHypotaurineME291675--8.13110.0272
hypoxanthineHypoxanthineME291676--4.98137.0456
imidazole propionateImidazole propanoateME291677--7.56141.0657
inosineInosineME291601--5.06269.0873
Kyn/Trp-ME291599----
kynurenic acidKynurenic acidME291678--5.5190.0496
kynurenineKynurenineME291602--6.75209.0915
Kynurenine_μM-ME291597--6.75209.0915
leucineLeucineME291680--7.12132.1018
linoleoyl ethanolamideLinoleoyl-EAME291681--2.05324.2891
lysineLysineME291682--9.45147.1126
metforminMetforminME291739--7.31130.1086
methionineMethionineME291683--7.2150.0581
metoprololMetoprololME291740--6.25268.19
metronidazoleMetronidazoleME291741--2.71172.0715
myristoleateMyristoleic acidME291684--1.84227.2
N1-acetylspermidineN1-AcetylspermidineME291685--9.74188.1755
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME291686--4.38153.0657
N4-acetylcytidineN4-AcetylcytidineME291687--4.35286.1025
N6-acetyllysineN6-AcetyllysineME291690--8.46189.1231
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME291689--10.24175.1439
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME291688--11.16189.1595
N-acetylalanineN-AcetylalanineME291691--3.97132.0654
N-acetylleucineN-AcetylleucineME291692--2.73174.1123
N-acetylmethionineN-AcetylmethionineME291693--3.57192.0687
N-acetylornithineN-AcetylornithineME291694--8.51175.1076
N-acetylputrescineN-AcetylputrescineME291695--7.96131.1178
N-acetyltryptophanN-Acetyl-tryptophanME291696--2.98247.1071
N-alpha-acetylargininePelargonidinME291697--8.26217.1289
N-carbamoyl-beta-alanineUreidopropionic acidME291698--4.23133.0607
niacinamideNiacinamideME291699--3.74123.0554
N-methylprolineN-Methyl-prolineME291700--8.67130.0862
NMMATarginineME291701--9.42189.1343
oleoyl glycineNAGly 18:1(9Z)ME291702--2.34340.2843
ornithineOrnithineME291703--9.41133.0971
pantothenatePantothenic acidME291704--3.13220.1175
pantothenolPantothenolME291705--3.85206.1384
phenylacetylglutaminealpha-N-PhenylacetylglutamineME291706--4.86265.1176
phenylalaninePhenylalanineME291707--6.87166.086
piperinePiperineME291708--2.01286.143
prolineProlineME291709--8.2116.0707
proline-betaineProline betaineME291710--9.25144.1017
pseudouridinePseudouridineME291711--4.25245.0762
quinineQuinineME291742--6.44325.1904
ribothymidineRibothymidineME291712--2.88259.0919
SDMASymmetric dimethylarginineME291713--9.74203.15
serineSerineME291714--7.83106.0501
serotoninSerotoninME291715--6.42177.102
sphinganineSphinganineME291716--6302.3045
taurineTaurineME291717--6.3126.0219
thiamineThiamineME291718--9.55265.1112
threonineThreonineME291719--7.77120.0656
threo-sphingosine-ME291720--5.97300.289
thyroxineThyroxineME291721--5.89777.6931
trigonellineTrigonellineME291722--8.94138.0548
trimethylamine-N-oxideTrimethylamine N-oxideME291723--8.1476.0763
tryptophanTryptophanME291603--6.68205.0967
Tryptophan_μM-ME291598--6.68205.0967
tyrosineTyrosineME291724--6.99182.0809
urateUric acidME291725--4.41169.0354
urobilinogenD-UrobilinogenME291726--2591.317
urocanic acidUrocanic acidME291727--4.57139.0501
valsartanValsartanME291743--1.9436.2336
warfarinWarfarinME291744--1.82309.1113
xanthineXanthineME291728--3.78153.0405


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