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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 acid"1,7-Dimethyluric acidME541628--3.49197.0665
1-methyladenosine1-MethyladenosineME541629--7.75282.1186
1-methylguanine1-MethylguanineME541630--5.29166.0719
1-methylguanosine1-MethylguanosineME541631--5.08298.1135
1-methylhistamine1-MethylhistamineME541632--9.90126.1025
1-methylhistidine1-MethylhistidineME541633--10.70170.0919
1-methylnicotinamide1-Methyl nicotinamideME541634--8.32137.0704
2-aminoheptanoic acid2-Aminoheptanoic acidME541635--6.69146.1170
2-deoxyadenosineDeoxyadenosineME541636--5.19252.1082
2-deoxycytidineDeoxycytidineME541637--6.00228.0971
3-hydroxyanthranilic acid3-Hydroxyanthranilic acidME541639--1.80154.0494
3-methoxytyramine3-MethoxytyramineME541640--6.41168.1014
3-methylhistidine3-MethylhistidineME541641--10.10170.0920
3-methylxanthine3-MethylxanthineME541642--3.31167.0559
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME541638--4.97313.0840
4-acetamidobutanoate4-Acetamidobutanoic acidME541643--3.49146.0807
4-guanidinobutanoic acid4-Guanidinobutanoic acidME541644--7.20146.0919
4-pyridoxate4-Pyridoxic acidME541645--4.71184.0600
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME541646--5.27199.0821
5-alpha-cholestanolDihydrocholesterolME541647--1.71371.3660
5-hydroxylysine5-HydroxylysineME541648--9.41163.1073
5-hydroxymethyl-4-methylurate-ME541649--3.52157.0604
5-hydroxytryptophan5-Hydroxy-tryptophanME541650--6.55221.0913
5-methylcytidine5-MethylcytidineME541651--6.03258.1076
5-methylcytosine5-MethylcytosineME541652--6.49126.0660
"6,8-dihydroxypurine"6,8-DihydroxypurineME541653--4.23153.0402
7-aminomethyl-7-carbaguanine7-Aminomethyl-7-carbaguanineME541654--7.39180.0874
7-methylguanine7-MethylguanineME541655--5.77166.0718
7-methylxanthine7-MethylxanthineME541656--3.91167.0559
acetaminophenAcetaminophenME541657--1.97152.0701
acetylcholineAcetylcholineME541658--7.81146.1170
acetyl-galactosamine-ME541659--5.34222.0965
adenosineAdenosineME541660--5.01268.1031
ADMADimethylarginineME541661--9.94203.1497
agmatineAgmatineME541662--9.36131.1289
ala-alaAla-AlaME541663--7.91161.0916
alanineAlanineME541664--7.8390.0549
alloisoleucineAlloisoleucineME541665--8.21132.1016
alpha-glycerophosphocholinesn-Glycero-3-phosphocholineME541666--10.59258.1092
anserineAnserineME541667--10.67241.1288
arginineArginineME541668--9.29175.1185
asparagineAsparagineME541669--8.04133.0604
aspartateAspartic acidME541670--8.40134.0444
atenololAtenololME541671--6.93267.1696
beta-alaninebeta-AlanineME541672--8.0190.0549
beta-guanidinopropionic acid3-Guanidinopropanoic acidME541673--7.47132.0765
betaineBetaineME541674--8.99118.0863
bilirubinBilirubinME541675--1.65585.2686
biliverdinBiliverdinME541676--1.96583.2533
biotinBiotinME541677--3.88245.0947
butyrobetaine3-DehydroxycarnitineME541678--8.86146.1170
C10:2 carnitineCAR 10:2ME541695--7.25312.2156
C10 carnitineCAR 10:0ME541694--7.13316.2469
C12:1 carnitineCAR 12:1ME541697--6.97342.2625
C12 carnitineCAR 12:0ME541696--6.94344.2781
C14:0 LPCLPC 14:0ME541827--7.95468.3068
C14:0 SMSM 18:1;O2/14:0ME541865--7.35675.5400
C14:1 carnitineCAR 14:1ME541699--6.79370.2937
C14:2 carnitineCAR 14:2ME541700--6.85368.2779
C14 carnitineCAR 14:0ME541698--6.79372.3093
C16:0 ceramide (d18:1)Cer 18:1;O2/16:0ME541878--1.83538.5181
C16:0 LPCLPC 16:0ME541829--7.81496.3383
C16:0 LPELPE 16:0ME541842--6.31454.2912
C16:0 SMSM 18:1;O2/16:0ME541867--7.26703.5716
C16:1 LPCLPC 16:1ME541828--7.86494.3226
C16:1 LPC plasmalogenLPC P-16:1 or LPC O-16:2ME541839--7.65480.3433
C16:1 SMSM 18:1;O2/16:1ME541866--7.27701.5560
C16 carnitineCAR 16:0ME541701--6.67400.3408
C16-OH carnitineCAR 16:0;OHME541702--7.14416.3354
C18:0 LPCLPC 18:0ME541833--7.70524.3697
C18:0 LPE-ALPE 18:0ME541846--6.24482.3228
C18:0 LPE-BLPE 18:0ME541847--7.88482.3227
C18:0 SMSM 18:1;O2/18:0ME541868--7.19731.6031
C18:1 carnitineCAR 18:1ME541704--6.58426.3562
C18:1 LPCLPC 18:1ME541832--7.75522.3541
C18:1 LPC plasmalogen-ALPC P-18:0 or LPC O-18:1ME541840--7.86508.3744
C18:1 LPC plasmalogen-BLPC P-18:0 or LPC O-18:1ME541841--7.53508.3747
C18:1 LPELPE 18:1ME541845--6.26480.3070
C18:1-OH carnitineCAR 18:1;OHME541705--7.05442.3511
C18:2 carnitineCAR 18:2ME541706--6.63424.3406
C18:2 LPCLPC 18:2ME541831--7.81520.3380
C18:2 LPELPE 18:2ME541844--6.28478.2915
C18:3 LPCLPC 18:3ME541830--7.82518.3203
C18:3 LPELPE 18:3ME541843--6.31476.2736
C18 carnitineCAR 18:0ME541703--6.56428.3719
C20:0 LPELPE 20:0ME541850--7.75510.3540
C20:0 SMSM 18:1;O2/20:0ME541869--7.12759.6337
C20:1 LPCLPC 20:1ME541837--7.62550.3855
C20:1 LPELPE 20:1ME541849--7.79508.3382
C20:3 LPCLPC 20:3ME541836--7.57546.3516
C20:4 LPCLPC 20:4ME541835--7.75544.3361
C20:4 LPELPE 20:4ME541848--6.26502.2890
C20:5 LPCLPC 20:5ME541834--7.81542.3202
C20 carnitineCAR 20:0ME541707--6.47456.4035
C22:0 SMSM 18:1;O2/22:0ME541871--7.06787.6649
C22:1 SMSM 18:1;O2/22:1ME541870--7.06785.6496
C24:0 LPCLPC 24:0ME541838--7.39608.4630
C24:1 ceramide (d18:1)Cer 18:1;O2/24:1ME541879--1.78648.6263
C26 carnitineCAR 26:0ME541708--6.26540.4973
C2 carnitineCAR 2:0ME541682--8.75204.1225
C30:0 PCPC 30:0ME541851--6.74706.5351
C34:0 PEPE 34:0ME541857--6.71720.5522
C34:2 PEPE 34:2ME541856--5.53716.5194
C34:2 PE plasmalogenPE O-34:2ME541861--5.49702.5387
C34:3 PCPC 34:3ME541852--6.69756.5480
C34:3 PC plasmalogenPC P-34:2 or PC O-34:3ME541854--6.59742.5713
C34:3 PE plasmalogenPE O-34:3ME541860--5.48700.5244
C36:2 PCPC 36:2ME541853--6.59786.5965
C36:2 PEPE 36:2ME541859--5.51744.5506
C36:3 PE plasmalogenPE O-36:3ME541863--5.45728.5557
C36:4 PEPE 36:4ME541858--5.52740.5183
C36:5 PC plasmalogenPC P-36:4 or PC O-36:5ME541855--6.50766.5700
C36:5 PE plasmalogenPE O-36:5ME541862--5.42724.5241
C38:5 PE plasmalogenPE O-38:5ME541864--5.38752.5545
C3 carnitineCAR 3:0ME541683--8.38218.1380
C3-DC-CH3 carnitineCAR 3:0;2MeME541684--8.60262.1276
C4 carnitineCAR 4:0ME541685--8.08232.1535
C4-OH carnitineCAR 4:0;OHME541686--8.90248.1483
C5:1 carnitineCAR 5:1ME541688--7.91244.1535
C5 carnitineCAR 5:0ME541687--7.83246.1690
C5-DC carnitineCAR DC5:0ME541689--8.39276.1431
C6 carnitineCAR 6:0ME541690--7.56260.1847
C7 carnitineCAR 7:0ME541691--7.43274.2002
C8 carnitineCAR 8:0ME541692--7.33288.2157
C9 carnitineCAR 9:0ME541693--7.22302.2313
cadaverineCadaverineME541679--9.52103.1229
caffeineCaffeineME541680--2.86195.0873
carnitineCarnitineME541681--8.91162.1119
carnosineCarnosineME541709--9.93227.1131
cellobioseCellobioseME541710--6.46343.1220
C-glycosyltryptophanC-GlycosyltryptophanME541711--7.13367.1486
cholineCholineME541712--8.38104.1069
citrullineCitrullineME541713--8.39176.1025
creatineCreatineME541714--8.33132.0765
creatinineCreatinineME541715--6.50114.0663
cyclohexylamineCyclohexylamineME541716--6.46100.1120
cystineCystineME541717--9.20241.0303
cytidineCytidineME541718--5.88244.0919
cytosineCytosineME541719--6.20112.0506
deoxyguanosineDeoxyguanosineME541720--5.35268.1030
dethiobiotinDethiobiotinME541721--3.65215.1384
diacetylspermineN1,N12-DiacetylspermineME541722--9.72287.2431
dimethylglycineDimethylglycineME541723--8.54104.0705
DMGVDMGVME541724--7.91202.1183
ectoineEctoineME541725--8.95143.0810
GABAgamma-Aminobutyric acidME541726--7.57104.0705
glucosamineGlucosamineME541727--7.60180.0862
glutamateGlutamic acidME541728--7.60148.0599
glutamineGlutamineME541729--8.08147.0759
glycineGlycineME541730--7.9676.0392
glycocholateGlycocholic acidME541731--5.26466.3146
glycodeoxycholate/glycochenodeoxycholateGlycodeoxycholic acid/Glycochenodeoxycholic acidME541732--4.24450.3198
guanidinoacetic acidGuanidoacetic acidME541733--7.86118.0612
guanineGuanineME541734--5.35152.0562
hippurateHippuric acidME541735--2.51180.0650
histamineHistamineME541736--9.41112.0870
histidineHistidineME541737--9.67156.0763
histidinolL-HistidinolME541738--9.24142.0971
homoarginineHomoarginineME541739--9.32189.1341
homocitrullineHomocitrullineME541740--8.37190.1182
hydroxyprolineHydroxyprolineME541741--7.93132.0652
hypoxanthineHypoxanthineME541742--4.81137.0453
imidazoleacetic acidImidazoleacetic acidME541744--8.20127.0501
imidazole propionateImidazole propionateME541743--7.45141.0653
inosineInosineME541745--4.84269.0870
isoleucineIsoleucineME541746--7.14132.1016
isoxanthopterinIsoxanthopterinME541747--4.21180.0511
kynurenic acidKynurenic acidME541748--5.22190.0493
leucineLeucineME541749--7.01132.1016
linoleoyl ethanolamideLinoleoyl-EAME541750--1.96324.2884
lysineLysineME541751--9.52147.1123
methionineMethionineME541752--7.10150.0578
methionine sulfoxideMethionine sulfoxideME541753--8.71166.0527
methylguanidineMethylguanidineME541755--6.8274.0712
methylimidazoleacetic acidMethylimidazoleacetic acidME541756--8.89141.0653
methyl N-methylanthranilateMethyl N-methylanthranilateME541754--1.96166.0858
methylthioadenosine5'-MethylthioadenosineME541757--4.23298.0957
metronidazoleMetronidazoleME541758--2.71172.0710
N1-acetylspermidineN1-AcetylspermidineME541759--10.09188.1753
N1-acetylspermineN1-AcetylspermineME541760--11.47245.2327
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME541761--4.31153.0654
"N2,N2-dimethylguanosine"N2,N2-DimethylguanosineME541762--5.62312.1276
N6-acetyllysineN6-AcetyllysineME541765--8.40189.1228
"N6,N6-dimethyllysine"N(6),N(6)-Dimethyl-lysineME541763--10.47175.1436
"N6,N6,N6-trimethyllysine"N-6-TrimethyllysineME541764--11.51189.1593
N-acetylalanineN-AcetylalanineME541766--3.72132.0652
N-acetylaspartic acidN-Acetylaspartic acidME541767--4.28176.0549
N-acetylglutamineN-AcetylglutamineME541768--6.92189.0865
N-acetylhistamineN-AcetylhistamineME541769--7.80154.0969
N-acetylleucineN-AcetylleucineME541770--2.75174.1120
N-acetylmethionineN-AcetylmethionineME541771--3.47192.0686
N-acetylornithineN-AcetylornithineME541772--8.44175.1073
N-acetylputrescineN-AcetylputrescineME541773--7.99131.1176
N-acetyltryptophanN-Acetyl-tryptophanME541774--2.79247.1068
N-alpha-acetylargininePelargonidinME541775--8.20217.1288
N-carbamoyl-beta-alanineUreidopropionic acidME541776--4.09133.0605
niacinamideNiacinamideME541777--3.74123.0555
nicotinateNicotinic acidME541778--3.63124.0393
N-lauroylglycineN-LauroylglycineME541779--2.35258.2054
N-methylprolineN-Methyl-prolineME541780--8.63130.0860
N-methylserotoninN-MethylserotoninME541781--6.32191.1173
NMMATarginineME541782--9.52189.1341
oleoyl glycineN-Oleoyl glycineME541783--2.19340.2832
O-methyladenosine-ME541784--4.47282.1186
ornithineOrnithineME541785--9.42133.0968
pantothenatePantothenic acidME541786--3.14220.1173
pantothenolPantothenolME541787--3.87206.1381
phenylacetylglutaminealpha-N-PhenylacetylglutamineME541788--4.56265.1165
phenylalaninePhenylalanineME541789--6.77166.0858
phenylalanine-d8PhenylalanineME541626--6.78174.1360
phosphocholineCholine phosphateME541790--10.78184.0728
phytosphingosinePhytosphingosineME541876--5.92318.2989
pipecolic acidPipecolic acidME541791--8.00130.0861
piperinePiperineME541792--1.93286.1426
prolineProlineME541793--8.13116.0707
proline-betaineProline betaineME541794--9.28144.1014
pseudouridinePseudouridineME541795--4.11245.0759
pterinPterinME541796--4.77164.0561
putrescinePutrescineME541797--9.5789.1072
pyridoxinePyridoxineME541798--6.08170.0806
pyroglutamic acidPyroglutamic acidME541799--6.42130.0496
ribothymidineRibothymidineME541800--3.01259.0914
s-adenosylmethionineS-AdenosylmethionineME541801--10.48399.1431
sarcosineSarcosineME541802--8.1290.0549
SDMASymmetric dimethylarginineME541803--9.82203.1497
serineSerineME541804--7.71106.0499
serotoninSerotoninME541805--6.30177.1018
S-methyl-L-cysteine-S-oxideS-Methylcysteine S-oxideME541806--8.62152.0378
solanidineSolanidineME541807--5.93398.3403
spermidineSpermidineME541808--10.95146.1647
sphinganineSphinganineME541877--5.84302.3040
sphingosine A-ME541872--1.97300.2885
sphingosine B-ME541873--2.36300.2885
sphingosine C-ME541874--5.74300.2885
sphingosine D-ME541875--5.82300.2885
taurineTaurineME541809--6.06126.0219
thiamineThiamineME541810--9.94265.1108
threonineThreonineME541811--7.69120.0656
trigonellineTrigonellineME541812--8.88138.0545
trimethylamine-N-oxideTrimethylamine N-oxideME541813--8.1276.0756
trimethylbenzeneTrimethylbenzeneME541814--1.56121.1012
tryptamineTryptamineME541815--6.16161.1068
tryptophanTryptophanME541816--6.55205.0965
tyramineTyramineME541817--6.32138.0908
tyrosineTyrosineME541818--6.85182.0807
urateUric acidME541819--4.22169.0351
urobilinL-UrobilinME541820--6.61595.3468
urocanic acidUrocanic acidME541821--4.67139.0497
valineValineME541822--7.44118.0863
valine-d8ValineME541627--7.46126.1364
vitamin ARetinolME541823--1.54269.2253
xanthineXanthineME541824--3.65153.0402
xanthopterinXanthopterinME541825--4.72180.0511
xanthosineXanthosineME541826--4.29285.0827


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
7-Dehydrodesmosterol7-Dehydro-desmosterolME542045--7.06383.3312
beta-sitosterolSitosterolME542048--7.98397.3834
C14:0 CECE 14:0ME541944--11.71619.5431
C14:0 LPCLPC 14:0ME541881--4.37468.3092
C14:0 SMSM 18:1;O2/14:0ME541936--7.76675.5536
C16:0 CECE 16:0ME541946--12.12647.5744
C16:0 Ceramide (d18:1)Cer 18:1;O2/16:0ME541932--8.4538.5203
C16:0 LPCLPC 16:0ME541883--4.88496.3404
C16:0 LPELPE 16:0ME541889--4.9454.2933
C16:0 SMSM 18:1;O2/16:0ME541937--8.26703.5756
C16:1 CECE 16:1ME541945--11.8645.5586
C16:1 LPCLPC 16:1ME541882--4.56494.3246
C16:1 MAGMG 16:1ME541957--4.89339.2508
C18:0 CECE 18:0ME541950--12.55675.6056
C18:0 LPCLPC 18:0ME541886--5.46524.3719
C18:0 LPELPE 18:0ME541891--5.48482.3249
C18:0 MAGMG 18:0ME541958--5.9381.2979
C18:0 SMSM 18:1;O2/18:0ME541938--8.75731.6073
C18:1 CECE 18:1ME541949--12.21673.5891
C18:1 LPCLPC 18:1ME541885--5.05522.3563
C18:1 LPELPE 18:1ME541890--5.06480.3098
C18:2 CECE 18:2ME541948--11.9671.5739
C18:2 LPCLPC 18:2ME541884--4.71520.3408
C18:3 CECE 18:3ME541947--11.63669.5586
C20:0 LPELPE 20:0ME541892--5.16510.3562
C20:0 SMSM 18:1;O2/20:0ME541939--9.21759.6382
C20:3 CECE 20:3ME541953--12.01697.5898
C20:4 CECE 20:4ME541952--11.76695.5741
C20:5 CECE 20:5ME541951--11.48693.5586
C20:5 LPCLPC 20:5ME541887--4.71542.3224
C22:0 Ceramide (d18:1)Cer 18:1;O2/22:0ME541933--9.76622.6139
C22:0 LPELPE 22:0ME541893--5.8538.3874
C22:0 SMSM 18:1;O2/22:0ME541941--9.64787.6697
C22:1 MAGMG 22:1ME541959--7.04435.3442
C22:1 SMSM 18:1;O2/22:1ME541940--9.35785.6545
C22:4 CECE 22:4ME541956--12.11723.6053
C22:5 CECE 22:5ME541955--11.84721.5896
C22:6 CECE 22:6ME541954--11.61719.5742
C24:0 Ceramide (d18:1)Cer 18:1;O2/24:0ME541934--10.16650.6453
C24:0 LPCLPC 24:0ME541888--5.05544.3381
C24:0 PC-ME541880--6.58622.4449
C24:0 SMSM 18:1;O2/24:0ME541943--10.06815.701
C24:1 Ceramide (d18:1)Cer 18:1;O2/24:1ME541935--9.8648.6298
C24:1 SMSM 18:1;O2/24:1ME541942--9.68813.6854
C30:0 DAGDG 30:0ME541960--8.76563.4661
C30:0 PCPC 30:0ME541894--8.22706.5387
C32:0 DAGDG 32:0ME541963--9.22591.4964
C32:0 PCPC 32:0ME541896--8.69734.5704
C32:0 PEPE 32:0ME541923--7.97692.5243
C32:1 DAGDG 32:1ME541962--8.89589.4815
C32:1 PCPC 32:1ME541895--8.38732.5546
C32:1 PE-ME541922--8.39690.5082
C32:2 DAGDG 32:2ME541961--8.58587.4662
C34:0 DAGDG 34:0ME541967--9.65619.5278
C34:0 PCPC 34:0ME541901--9.14762.601
C34:0 PEPE 34:0ME541925--8.45720.555
C34:1 DAGDG 34:1ME541966--9.34617.5123
C34:1 PCPC 34:1ME541900--8.82760.5858
C34:1 PC plasmalogen-APC P-34:1 or PC O-34:2ME541914--9.13746.6061
C34:1 PC plasmalogen-BPC P-34:1 or PC O-34:2ME541915--9.42746.6068
C34:2 DAGDG 34:2ME541965--9.05615.4966
C34:2 PCPC 34:2ME541899--8.52758.5702
C34:2 PC plasmalogenPC P-34:2 or PC O-34:3ME541913--9.12744.5911
C34:2 PEPE 34:2ME541924--8.54716.5237
C34:3 DAGDG 34:3ME541964--8.75613.4814
C34:3 PCPC 34:3ME541898--8.69756.552
C34:3 PC plasmalogenPC P-34:2 or PC O-34:3ME541912--9742.5729
C34:4 PCPC 34:4ME541897--8.37754.5363
C36:0 DAGDG 36:0ME541972--10.03647.5593
C36:0 PCPC 36:0ME541907--9.55790.6316
C36:0 PEPE 36:0ME541927--8.88748.5857
C36:1 DAGDG 36:1ME541971--9.76645.5439
C36:1 PCPC 36:1ME541906--9.26788.6176
C36:1 PC plasmalogenPC P-36:1 or PC O-36:2ME541919--9.56774.6377
C36:2 DAGDG 36:2ME541970--9.46643.528
C36:2 PCPC 36:2ME541905--8.98786.6015
C36:2 PC plasmalogenPC P-36:2 or PC O-36:3ME541918--9.27772.6217
C36:3 DAGDG 36:3ME541969--9.18641.5122
C36:3 PCPC 36:3ME541904--8.69784.5864
C36:3 PC plasmalogenPC P-36:3 or PC O-36:4ME541917--9.42770.6041
C36:4 DAGDG 36:4ME541968--8.89639.4967
C36:4 PC-APC 36:4ME541902--8.35782.5731
C36:4 PC-BPC 36:4ME541903--8.55782.5692
C36:4 PC plasmalogenPC P-36:4 or PC O-36:5ME541916--9.13768.5878
C36:4 PEPE 36:4ME541926--8.84740.5207
C38:2 PCPC 38:2ME541910--9.35814.6329
C38:3 PCPC 38:3ME541909--9.14812.617
C38:4 DAGDG 38:4ME541974--9.33667.5279
C38:4 PC plasmalogenPC P-38:4 or PC O-38:5ME541921--9.31796.6221
C38:5 DAGDG 38:5ME541973--9.15665.5118
C38:6 PCPC 38:6ME541908--8.48806.5702
C38:6 PC plasmalogenPC P-38:5 or PC O-38:6ME541920--8.76792.5957
C40:9 PCPC 40:9ME541911--8.48828.5524
C42:0 TAGTG 42:0ME541975--11745.6325
C43:1 TAGTG 43:1ME541976--10.93752.6776
C44:0 TAGTG 44:0ME541979--11.35773.6635
C44:1 TAGTG 44:1ME541978--11.11771.648
C44:2 TAGTG 44:2ME541977--10.9769.6327
C45:0 TAGTG 45:0ME541982--11.51787.6791
C45:1 TAGTG 45:1ME541981--11.3785.6637
C45:2 TAGTG 45:2ME541980--11.09778.693
C46:0 TAGTG 46:0ME541986--11.67801.6949
C46:1 TAGTG 46:1ME541985--11.45799.6793
C46:2 TAGTG 46:2ME541984--11.26797.6641
C46:3 TAGTG 46:3ME541983--11.04790.6938
C47:0 TAGTG 47:0ME541989--11.84815.7106
C47:1 TAGTG 47:1ME541988--11.63813.695
C47:2 TAGTG 47:2ME541987--11.43811.6796
C48:0 TAGTG 48:0ME541994--12.01829.7263
C48:1 TAGTG 48:1ME541993--11.77827.7108
C48:2 TAGTG 48:2ME541992--11.56825.6953
C48:3 TAGTG 48:3ME541991--11.29823.6799
C48:4 TAGTG 48:4ME541990--11.05821.665
C49:0 TAGTG 49:0ME541998--12.17843.742
C49:1 TAGTG 49:1ME541997--11.96841.7265
C49:2 TAGTG 49:2ME541996--11.76839.711
C49:3 TAGTG 49:3ME541995--11.56837.6955
C50:0 TAGTG 50:0ME542005--12.37857.7576
C50:1 TAGTG 50:1ME542004--12.1855.7419
C50:2 TAGTG 50:2ME542003--11.85853.7263
C50:3 TAGTG 50:3ME542002--11.62851.7107
C50:4 TAGTG 50:4ME542001--11.39849.6956
C50:5 TAGTG 50:5ME542000--11.14847.6809
C50:6 TAGTG 50:6ME541999--10.89845.6647
C51:0 TAGTG 51:0ME542009--12.55871.7738
C51:1 TAGTG 51:1ME542008--12.29869.7579
C51:2 TAGTG 51:2ME542007--12.03867.7422
C51:3 TAGTG 51:3ME542006--11.78865.7269
C52:0 TAGTG 52:0ME542017--12.73885.789
C52:1 TAGTG 52:1ME542016--12.46883.7733
C52:2 TAGTG 52:2ME542015--12.19881.7577
C52:3 TAGTG 52:3ME542014--11.95879.7419
C52:4 TAGTG 52:4ME542013--11.7877.7264
C52:5 TAGTG 52:5ME542012--11.46875.711
C52:6 TAGTG 52:6ME542011--11.23873.6954
C52:7 TAGTG 52:7ME542010--10.99871.6807
C53:2 TAGTG 53:2ME542019--12.38895.7739
C53:3 TAGTG 53:3ME542018--12.13893.7587
C54:1 TAGTG 54:1ME542028--12.83911.8055
C54:2 TAGTG 54:2ME542027--12.56909.7885
C54:3 TAGTG 54:3ME542026--12.31907.7736
C54:4 TAGTG 54:4ME542025--12.05905.7576
C54:5 TAGTG 54:5ME542024--11.8903.7419
C54:6 TAGTG 54:6ME542023--11.56901.7264
C54:7 TAGTG 54:7ME542022--11.32899.711
C54:8 TAGTG 54:8ME542021--11.08897.6952
C54:9 TAGTG 54:9ME542020--10.84895.68
C55:3 TAGTG 55:3ME542029--12.55921.7881
C56:1 TAGTG 56:1ME542038--13.26939.8371
C56:2 TAGTG 56:2ME542037--12.94937.8196
C56:3 TAGTG 56:3ME542036--12.68935.8038
C56:4 TAGTG 56:4ME542035--12.38933.7893
C56:5 TAGTG 56:5ME542034--12.13931.7732
C56:6 TAGTG 56:6ME542033--11.89929.7578
C56:7 TAGTG 56:7ME542032--11.81927.7427
C56:8 TAGTG 56:8ME542031--11.59925.7265
C56:9 TAGTG 56:9ME542030--11.34923.7113
C58:10 TAGTG 58:10ME542039--11.43949.7292
C58:6 TAGTG 58:6ME542043--12.26952.8331
C58:7 TAGTG 58:7ME542042--12.04955.7777
C58:8 TAGTG 58:8ME542041--11.93953.7575
C58:9 TAGTG 58:9ME542040--11.68946.7867
C60:12 TAGTG 60:12ME542044--11.43973.7228
campesterolCampesterolME542047--7.45401.3779
cholesterolCholesterolME542046--7.45369.352
coenzyme Q10Coenzyme Q10ME542051--11.16885.674
coenzyme Q9Coenzyme Q9ME542050--10.51817.6115
linoleoylethanolamideLinoleoyl-EAME541930--4.88324.29
N-OleoylethanolamineOleoyl-EAME541931--6.06326.3058
palmitoylethanolamidePalmitoyl-EAME541929--5.05300.29
piperinePiperineME542049--3.7286.1439
sphingosineSphingosineME541928--4.22300.2899


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1-methylurate1-Methyluric acidME542055--4.41181.0367
2-aminoadipatealpha-Aminoadipic acidME542056--4.95160.0615
2-aminobutyrate2-Aminobutyric acidME542057--2.86102.0560
2-aminoheptanoate2-Aminoheptanoic acidME542058--2.32144.1030
2-hydroxy-3-methylbutyrate2-Hydroxy-3-methylbutyric acidME542059--3.27117.0557
2-hydroxy-3-methylpentanoate2-Hydroxy-3-methyl-pentanoic acidME542060--3.24131.0714
2-hydroxyglutarate2-Hydroxyglutaric acidME542061--6.42147.0299
2-isopropylmalate2-Isopropylmalic acidME542062--6.59175.0612
3-3-hydroxyphenylpropionate3-(3-Hydroxyphenyl)propanoic acidME542063--3.99165.0557
3-4-dihydroxyphenylglycol-ME542064--1.91169.0506
3-methyladipate/pimelate-ME542065--6.28159.0663
3-phosphoglycerate3-Phosphoglyceric acidME542066--8.71184.9857
4-hydroxybenzaldehyde4-HydroxybenzaldehydeME542067--2.35121.0296
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME542068--4.41179.0350
4-nitrophenol4-NitrophenolME542069--3.65138.0197
4-pyridoxate4-Pyridoxic acidME542070--3.38182.0461
acetaminophen glucuronidep-AcetamidophenylglucuronideME542071--4.19326.0881
adenineAdenineME542072--2.17134.0474
adipate/methylglutarate-ME542073--6.37145.0508
adonitol/arabitol-ME542074--1.64151.0612
alpha-glycerophosphatesn-Glycero-3-phosphateME542075--6.86171.0064
alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxy...-ME542076--3.40103.0401
alpha-keto-beta-methylvalerate/alpha-ketoisocaproa...-ME542077--3.07129.0559
alpha-ketoglutarateOxoglutaric acidME542078--7.00145.0144
alpha-ketoisovalerateKetoisovaleric acidME542079--3.10115.0401
AMPAMPME542080--7.23346.0558
anhydroDglucose-ME542081--6.30161.0455
aspartateAspartic acidME542082--4.88132.0304
benzoateBenzoic acidME542083--3.68121.0295
bilirubinBilirubinME542084--14.17583.2562
butyrateButyric acidME542085--3.4687.0452
chenodeoxycholate/deoxycholate-ME542086--3.66391.2860
cholateCholic acidME542087--3.78407.2803
citrate/isocitrateCitric acid/Isocitric acidME542088--8.25191.0197
CMPCMPME542089--7.08322.0446
CMPF3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME542090--6.59239.0925
cystathionineCystathionineME542091--4.98221.0602
cytidineCytidineME542092--1.92242.0782
dCMPdCMPME542093--6.97306.0497
dihydroorotate4,5-Dihydroorotic acidME542094--3.76157.0255
dTMPdTMPME542095--6.92321.0493
erythronate/threonate-ME542096--3.90135.0299
erythrose-4-phosphateErythrose 4-phosphateME542097--6.93199.0013
fructose/glucose/galactose-ME542098--2.00179.0563
fumarate/maleate-ME542099--6.56115.0038
gentisateGentisic acidME542100--4.19153.0193
glutamateGlutamic acidME542101--4.84146.0460
glycerateGlyceric acidME542102--3.90105.0193
glycocholateGlycocholic acidME542103--3.61464.3018
glycocholate-d4Glycocholic acidME542054--3.61468.3269
glycodeoxycholate/glycochenodeoxycholateGlycodeoxycholic acid/Glycochenodeoxycholic acidME542104--3.53448.3068
guanineGuanineME542105--2.66150.0421
guanosineGuanosineME542106--2.85282.0844
hexose monophosphateFructose 6-phosphateME542107--6.98259.0224
hippurateHippuric acidME542108--3.56178.0510
homocystineHomocystineME542109--4.97267.0479
homovanillateHomovanillic acidME542110--4.01181.0506
hydroquinoneHydroquinoneME542111--1.43109.0295
hypoxanthineHypoxanthineME542112--3.05135.0314
indole-3-propionate-ME542113--4.06188.0717
indolelactateIndolelactic acidME542114--4.02204.0666
indoxylsulfateIndoxyl sulfateME542115--3.55212.0023
inosineInosineME542116--3.17267.0735
inosine-15N4InosineME542053--3.16271.0617
inositolMyo-inositolME542117--2.50179.0561
isovalerate/valerate/methylbutyrate-ME542118--3.35101.0608
lactateLactic acidME542119--3.5689.0244
lithocholateLithocholic acidME542120--3.57375.2911
malateD-Malic acidME542121--6.55133.0144
malonateMalonic acidME542122--6.72103.0037
mesaconateMesaconic acidME542123--6.40129.0195
methylmalonateMethylmalonic acidME542124--6.67117.0193
N-acetylcarnosineN-AcetylcarnosineME542125--3.75267.1099
N-acetylglutamateN-Acetylglutamic acidME542126--6.23188.0567
NADNAD+ME542127--4.74662.1024
nicotinateNicotinic acidME542128--3.70122.0248
orotateOrotic acidME542129--4.13155.0100
oxalateOxalic acidME542130--6.9888.9880
pantothenatePantothenic acidME542131--3.62218.1035
pentose monophosphateRibose 5-phosphateME542132--6.92229.0119
phenylacetatePhenyl acetateME542133--3.51135.0452
phenyllactatePhenyllactic acidME542134--3.38165.0559
propionatePropionic acidME542135--3.5873.0295
pseudouridinePseudouridineME542136--2.15243.0622
quinateQuinic acidME542137--3.93191.0564
quinolinateQuinolinic acidME542138--6.99166.0146
sebacateSebacic acidME542139--6.24201.1135
sorbitolSorbitolME542140--1.87181.0718
suberateSuberic acidME542141--6.34173.0821
succinateSuccinic acidME542142--6.50117.0194
succinyladenosineSuccinyladenosineME542143--6.81382.1004
sucrose/lactose/trehalose-ME542144--2.40341.1080
tartarateTartaric acidME542145--6.59149.0092
taurocholateTaurocholic acidME542146--3.32514.2844
taurodeoxycholate/taurochenodeoxycholate-ME542147--3.19498.2895
tetrahydro-1-methyl-beta-carboline-3-carboxylate-ME542148--3.48229.0983
threitolThreitolME542149--1.45121.0507
thymineThymineME542150--1.27125.0358
thymine-d4ThymineME542052--1.25129.0609
UDP-galactose/UDP-glucose-ME542151--6.71565.0477
UMPUMPME542152--7.19323.0286
uracilUracilME542153--1.44111.0201
urateUric acidME542154--4.85167.0212
uridineUridineME542155--1.68243.0623
xanthineXanthineME542156--4.62151.0261
xanthurenateXanthurenic acidME542157--7.62204.0302


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-HDoHE/14-HDoHE-ME542167--11.69343.2285
10-heptadecenoate-ME542203--14.49267.2333
10-nonadecenoate-ME542211--15.50295.2646
11-HDoHE11-HDoHEME542168--11.79343.2285
11-HEPE11-HEPEME542178--10.98317.2127
11-HETE11-HETEME542173--11.68319.2284
12.13-diHOME12,13-DiHOMEME542163--9.95313.2391
12-HEPE/8-HEPE-ME542179--11.13317.2127
12-HETE/8-HETE-ME542174--11.82319.2283
13-docosenoate-ME542224--16.74337.3118
13-HODE13-HODEME542165--11.34295.2283
14.15 diHETE-ME542183--9.80335.2236
15-HEPE15-HEPEME542180--10.92317.2127
15-HETE15-HETEME542175--11.51319.2284
15R-15-methyl PGA2-ME542158--9.54347.2234
15R-15-methyl PGF2a-ME542162--8.14367.2495
15S-15-methyl PGD2-ME542159--8.57365.2339
15S-15-methyl PGE1-ME542160--8.43367.2497
15S-15-methyl PGE2-ME542161--8.32365.2339
16-HDoHE/17-HDoHE-ME542169--11.54343.2285
17.18 diHETE-ME542184--9.69335.2235
17-MethylstearateXi-17-Methyloctadecanoic acidME542213--16.16297.2803
20-HDoHE20-HDoHEME542170--11.36343.2285
2-hydroxyhexadecanoate2-Hydroxy palmitic acidME542205--13.64271.2284
2-hydroxyoctanoate2-Hydroxyoctanoic acidME542188--6.89159.1017
3-hydroxydecanoate3-Hydroxydecanoic acidME542190--8.46187.1333
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME542191--1.74131.0704
4-hydroxystyrene4-HydroxystyreneME542247--2.78119.0491
5.6 DHET-ME542185--11.02337.2392
5.6 diHETE-ME542181--11.10335.2236
5-dodecenoate5-Dodecenoic acidME542192--11.41197.1541
5-HEPE5-HEPEME542176--11.34317.2127
5-HETE5-HETEME542171--12.07319.2283
7-HDoHE/8-HDoHE-ME542166--11.93343.2285
8.15 diHETE-ME542182--9.52335.2234
9.10-diHOME9,10-DiHOMEME542164--10.14313.2391
9-HEPE9-HEPEME542177--11.21317.2127
9-HETE9-HETEME542172--11.94319.2284
acesulfameAcesulfameME542264--1.03161.9858
acetyltyrosine-ME542248--1.14222.0771
adrenateAdrenic acidME542223--14.81331.2649
alpha-linolenatealpha-Linolenic acidME542206--13.46277.2177
arachidateArachidic acidME542219--16.76311.2961
arachidonateArachidonic acidME542215--14.04303.2335
caprateCapric acidME542189--10.73171.1383
carboxyibuprofenCarboxyibuprofenME542246--6.65235.0976
carnosolCarnosolME542249--10.55329.1764
chenodeoxycholateChenodeoxycholic acidME542229--10.29391.2859
cholateCholic acidME542233--8.96407.2809
cinnamoylglycineCinnamoylglycineME542250--3.21204.0662
deoxycholateDeoxycholic acidME542230--10.50391.2861
dimethylurate1,7-Dimethyluric acidME542251--1.00195.0518
docosahexaenoateDocosahexaenoic acidME542221--13.81327.2337
docosapentaenoateDocosapentaenoic acidME542222--14.18329.2492
dodecanedioateDodecanedioic acidME542197--7.98229.1444
dodecanoateLauric acidME542193--12.31199.1698
eicosadienoate11Z,14Z-Eicosadienoic acidME542217--15.17307.2648
eicosanedioateEicosanedioic acidME542225--12.96341.2701
eicosapentaenoateEicosapentaenoic acidME542214--13.34301.2178
eicosatrienoate-ME542216--14.51305.2491
eicosenoateEicosenoic acidME542218--15.90309.2805
formylmethionineN-FormylmethionineME542252--1.18176.0379
fructose/glucose/galactose-ME542253--0.78179.0554
glycochenodeoxycholateGlycochenodeoxycholic acidME542234--9.05448.3076
glycocholateGlycocholic acidME542236--8.01464.3024
glycodeoxycholateGlycodeoxycholic acidME542235--9.27448.3075
heptadecanoateMargaric acidME542204--15.40269.2490
heptanoateHeptylic acidME542187--7.86129.0910
hexadecanedioateHexadecanedioic acidME542210--10.51285.2075
hydroxymyristateHydroxytetradecanoic acidME542199--12.21243.1966
hyodeoxycholate/ursodeoxycholate-ME542231--9.07391.2861
ibuprofenIbuprofenME542245--10.15205.1230
ketodeoxycholate-ME542232--8.25405.2653
levulinateLevulinic acidME542186--1.00115.0390
linoleateLinoleic acidME542207--14.21279.2335
lithocholateLithocholic acidME542228--12.10375.2908
masilinate-ME542227--11.52471.3487
myristateMyristic acidME542196--13.71227.2015
myristoleateMyristoleic acidME542195--12.66225.1858
N-acetylalanineN-AcetylalanineME542254--0.97130.0500
nervonic acidNervonic acidME542263--17.68365.3430
nonadecanoateNonadecylic acidME542212--16.30297.2803
oleanate-ME542226--13.54455.3539
oleateOleic acidME542208--15.01281.2491
oxypurinolOxypurinolME542255--0.80151.0252
palmitatePalmitic acidME542201--14.89255.2332
palmitoleatePalmitoleic acidME542200--13.93253.2175
palmitoylethanolamidePalmitoyl-EAME542256--13.42344.2812
pentadecanoatePentadecylic acidME542198--14.33241.2173
phenylacetylglutaminealpha-N-PhenylacetylglutamineME542257--1.54263.1042
phenyllactatePhenyllactic acidME542258--2.17165.0549
p-hydroxyphenylacetatep-Hydroxyphenylacetic acidME542259--1.53151.0391
phytanatePhytanic acidME542220--16.12311.2962
porphobilinogenPorphobilinogenME542260--0.98225.0879
pregnenolone sulfatePregnenolone sulfateME542261--8.60395.1903
ribothymidineRibothymidineME542262--0.81257.0779
saccharinSaccharinME542243--1.11181.9911
salicylateSalicylic acidME542242--3.56137.0234
sebacateSebacic acidME542244--6.37201.1128
stearateStearic acidME542209--15.86283.2647
taurochenodeoxycholateTaurochenodeoxycholic acidME542238--8.20498.2905
taurocholateTaurocholic acidME542241--7.36514.2850
taurodeoxycholateTaurodeoxycholic acidME542239--8.41498.2897
taurohyodeoxycholate/tauroursodeoxycholate-ME542240--7.27498.2905
taurolithocholateTaurolithocholic acidME542237--9.52482.2955
tetradecanedioateTetradecanedioic acidME542202--9.26257.1760
undecanedionate-ME542194--7.25215.1286


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