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Analysis: FT-ICR-MS Positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,11-Undecanedicarboxylic acidTridecanedioic acidME69955010458-14.72245.1774
11'-Carboxy-alpha-tocotrienol-ME69964753481452-20.24414.2727
11-Hydroxyeicosatetraenoate glyceryl ester-ME69963253481455-26.44395.2779
12(13)Ep-9-KODE9-oxo-12(13)-EpOMEME6995795283007-14.61311.2216
1,25-Dihydroxyvitamin D3-26,23-lactone-ME6996656438368-3.2445.2908
12-Ketodeoxycholic acid12-Ketolithocholic acidME6996313080612-25.46391.2843
13,14-Dihydro-15-oxo-lipoxin A4-ME69960853481470-15.41352.2239
13,14-Dihydro- lipoxin A4-ME69961053481469-14.53354.2452
13'-carboxy-alpha-tocotrienol-ME69967353481462-25.08454.3069
13'-Carboxy-gama-tocopherol-ME69966753481463-14.84446.342
13'-carboxy-gama-tocotrienol-ME69966053481464-24.84440.2931
13'-hydroxy-alpha-tocotrienol-ME69966353481466-14.88441.3358
13-OxoODE13-Oxo-ODEME6995676446027C1476514.4295.2293
16b-Hydroxystanozolol16beta-HydroxystanozololME69960414299609-25.47345.2516
16-hydroxy hexadecanoic acidJuniperic acidME6995587058075C1821851.22272.2352
19-Hydroxy-PGE219R-Hydroxy-PGE2ME6996185283038-8.75369.2262
1D-Myo-inositol 1,4-bisphosphate-ME699602-C0122029.7341.0086
24,25-Dihydroxyvitamin D24,25-Dihydroxyvitamin D3ME69965012895043-15.19417.3381
24-Hydroxycholesterol24S-HydroxycholesterolME699641121948C1355028.14403.3594
2,6 dimethylheptanoyl carnitineCAR 7:0;2Me,6MeME69957253477823-25.07302.2353
2-ArachidonylglycerolMG 20:4ME6996245282280C1385627.62379.2852
2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinoneME6997135280827C0580428.49561.4331
2-Hexaprenyl-6-methoxy-1,4-benzoquinol-ME69970853481383-20.85549.4262
2-HydroxylauroylcarnitineCAR 12:0;OHME69961553481640-27.69360.2754
2-Hydroxymyristic acid2-Hydroxymyristic acidME6995511563-22.05245.2121
2-Phosphoglyceric acid2-Phosphoglyceric acidME69953959-29.91187.0001
2-trans,4-cis-Decadienoylcarnitine-ME69958153481669-16.99312.2131
3a,20b-Pregnediol-ME699589120059-26.56321.2795
3b-Allotetrahydrocortisol3beta-AllotetrahydrocortisolME69961712444612-14.56367.2474
3D,7D,11D-Phytanic acidPhytanic acidME69958210380830-25.22313.3122
3-Hydroxy-5, 8-tetradecadiencarnitine-ME69962753481683-25.35384.2706
3-Hydroxy-cis-5-tetradecenoylcarnitineCAR 14:1;OHME69962953481679-27.85386.2913
3-Hydroxyhexdecanedioyl-CoA-ME69988353481644-8.521052.3263
3-Methylcrotonyl-CoA3-Methylbut-2-enoyl-CoAME699836439869C0306928.72850.1687
3-O-Sulfogalactosylceramide (d18:1/24:1(15Z))SHexCer 18:1;O2/24:1ME69985424779587C0612522.94890.6409
3-Oxo-4,6-choladienoic acid3-Oxo-4,6-choladienoic acidME6996195283992-25.24371.2627
3-Oxododecanoyl-CoA3-Oxolauroyl-CoAME699874440604C052638.32964.2745
4,4-Dimethyl-14alpha-hydroxymethyl-5alpha-cholesta...-ME69966625201302-28.83445.4094
4,4-Dimethylcholesta-8,14,24-trienol-ME699646443212C1145519.47411.365
4Alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3be...4alpha-Hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-olME69964825202625-25.66414.3499
4Alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol4alpha-Hydroxymethyl-5alpha-cholesta-8-en-3beta-olME69964925201885-28.14416.3673
4-oxo-Retinoic acid-ME6995856437063C1667813.7315.1961
4-Phosphopantothenoylcysteine-ME699640440304C0435230.05403.0912
5,6-Dihydroxyprostaglandin F1aPGF1alphaME6996306439819C0647527.06389.2553
5a-Cholesta-8,24-dien-3-one-ME69962622833560-18.32383.3328
5a-Cholestane-3a,7a,12a,25-tetrol-ME69965853477702-27.42437.3611
5b-Cholestane-3a,7a,12a,23R,25-pentol-ME69967121252249-15.38453.3582
5-b-Cholestane-3a ,7a ,12a-triol-ME699651160520C0545428.24421.3646
5b-Pregnediol-ME69956612547-27.66289.2895
5-Taurinomethyl-2-thiouridine-ME69963553481004-30.07398.0719
6,7-Dimethyl-8-(1-D-ribityl)lumazine6,7-Dimethyl-8-(1-D-ribityl)lumazineME699592672C0433227.63327.1345
6-Hydroxy flavin adenine dinucleotide-ME699798--9.95802.1636
7,7',8,8',11,11',12,12'-Hexahydro-y,y-Carotene-ME6997036436722C0541425.12543.4887
7a,12a-Dihydroxy-3-oxo-4-cholenoic acid-ME6996435283996C1556824.25405.2618
7'-carboxy-gama-tocotrienol-ME69959653481532-15.23332.2023
7-Dehydrocholesterol7-DehydrocholesterolME699628439423C0116418.63385.3488
7-Ketocholesterol7-Oxo-cholesterolME69963991474-19.9401.3445
7-Ketodeoxycholic acid7-Ketodeoxycholic acidME699644188292C0464325.72407.2777
8,11,14-Eicosatrienoic acidDihomo-gamma-linolenic acidME6995745280581C0324217.72307.2641
8-iso-15-keto-PGE2-ME69960753477750-12.42351.2154
9'-Carboxy-gama-chromanol-ME69962253481536-9.39376.2608
9'-carboxy-gama-tocotrienol-ME69962053481537-15.41372.2351
9-DecenoylcarnitineCAR 10:1(9)ME69958353481651-23.57314.2287
AcetylphosphateAcetylphosphateME699529186C0022727.16140.9987
AdenosineAdenosineME69955760961C002128.65268.1093
Adenosine tetraphosphateAdenosine tetraphosphateME69972514003C0348328.31587.9667
Adenosylcobimide-GDP-ME699896-C0651028.681665.6048
AerobactinAerobactinME699715123762C0555410.32565.2389
Alpha-CEHCalpha-CEHCME6995619943542-13.91279.1591
Aminopterin4-Aminofolic acidME6996622154D0252729.46441.1661
Angiotensin IIIAngiotensin IIIME6998633082042C1584829.09931.5134
Behenic acidBehenic acidME6996038215C0828129.73341.3426
Beta-CryptoxanthinCryptoxanthinME69971023724629C1598116.08553.4369
BrompheniramineBrompheniramineME6995876834C0685712.59319.0792
CapryloylcholineCapryloylcholineME69954622155836-28.24231.2179
CE(14:0)CE 14:0ME69973199486-26.59597.5579
CE(14:1(9Z))CE 14:1ME69972924779601-26.02595.541
CE(18:3(6Z,9Z,12Z))CE 18:3(6Z,9Z,12Z)*ME69974253480458-24.78647.574
CE(20:4(5Z,8Z,11Z,14Z)CE 20:4ME6997526479222C0253026.8673.5897
CE(20:5(5Z,8Z,11Z,14Z,17Z)CE 20:5ME69975053477889C0253022.9671.5738
CE(22:6(4Z,7Z,10Z,13Z,16Z,19Z))CE 22:6ME69975914274978C0253022.89697.5948
CE(5:0)CE 5:0*ME699681111329C0253027.78471.4182
CelastrolCelastrolME699669122724-23.78451.2864
Ceramide (d18:1/9Z-18:1)Cer 18:1;O2/18:1ME6997145283563C001958.97564.5322
Cer(d18:0/24:0)Cer 18:0;O2/24:0ME6997455283577-27.71652.6652
Cer(d18:1/22:1(13Z))Cer 18:1;O2/22:1(13Z)*ME69973353481052-8.45620.597
Cervonoyl ethanolamideDihomo-gamma-linolenoyl-EAME69962153245830C1382826.67373.2789
ChitosanChitosanME69989471853C0073425.681526.6457
Cholesterol sulfateCholesterol sulfateME69967965076C1804320.02467.318
Cholesteryl acetateCholesteryl acetateME6996556427285C0253028.09429.375
Cholic acid glucuronideCholic acid glucuronideME69972321252309C0303310.73585.3294
CL(20:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))CL 20:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)*ME69989353480388-24.221484.0546
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,...CL 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)*ME69989553480446-8.671545.9843
Cotinineglucuronide-ME6996093398121-15.27353.1318
Cysteineglutathione disulfideS-Glutathionyl-cysteineME6996533080690-30.26427.0919
CysteinylglycineCys-GlyME699537439498C0141929.47179.0517
DelphinidinDelphinidinME69959968245C0590830.52339.0297
Dextrorphan O-glucuronideDextrorphan O-glucuronideME69965724883428-29434.2139
DG(14:0/15:0/0:0)DG 14:0/15:0/0:0*ME69969753477949-23.2527.4721
DG(14:0/18:1(11Z)/0:0)DG 14:0/18:1(11Z)/0:0*ME69971653477952-25.12567.5008
DG(14:0/20:2(11Z,14Z)/0:0)DG 14:0/20:2(11Z,14Z)/0:0*ME69972853477957-29.77593.5179
DG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)DG 14:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0*ME69973253477967-16.07615.494
DG(14:1(9Z)/14:1(9Z)/0:0)DG 14:1(9Z)/14:1(9Z)/0:0ME69969353477973-15.14509.4205
DG(14:1(9Z)/16:1(9Z)/0:0)DG 14:1(9Z)/16:1(9Z)/0:0*ME69969953477976-26.47537.4531
DG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)DG 14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0*ME69972453477991-18.41585.4523
DG(15:0/16:0/0:0)DG 15:0/16:0/0:0*ME69971214275229-9.38555.5019
DG(15:0/22:1(13Z)/0:0)DG 15:0/22:1(13Z)/0:0*ME69973753478016-25.54637.573
DG(15:0/24:0/0:0)DG 15:0/24:0/0:0*ME69974853478022-27.03667.6194
DG(15:0/24:1(15Z)/0:0)DG 15:0/24:1(15Z)/0:0*ME69974753478023-26.42665.6048
DG(16:0/22:4(7Z,10Z,13Z,16Z)/0:0)DG 16:0/22:4(7Z,10Z,13Z,16Z)/0:0*ME6997409543803-27.02645.5493
DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)DG 16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*ME6997389543839-25.02639.5032
DG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)DG 18:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0*ME69974953478054-26.31671.5627
DG(18:1(11Z)/22:2(13Z,16Z)/0:0)DG 18:1(11Z)/22:2(13Z,16Z)/0:0*ME69975553478079-26.79675.5968
DG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)DG 18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0*ME69973653478130-20.7637.4813
DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)DG 22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*ME6997709543967-28.17721.5753
DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:...DG 22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0*ME69976953478454-26.54719.5569
DG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z...DG 22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*ME6997679543969-26.17717.5431
Dihomo-gamma-Linolenoyl ethanolamideDihomo-gamma-linolenoyl-EAME6996065282272C1382825.41350.3048
Dihydrofolic acidDihydrofolic acidME69966498792C0041531.61444.1629
DihydrothymineDihydrothymineME69952593556C0090612.68129.0682
Dihydroxyacetone Phosphate Acyl EsterDihydroxyacetone Phosphate Acyl EsterME6995426857386C0337229.86199.0047
Dimethylarsinous acid-ME699524185792C2030029.5122.9808
Disialyllacto-N-tetraose-ME6998903085216-29.771290.4465
D-LimoneneLimoneneME699528439250C0052128.75137.1377
DocosamideDocosanamideME69960176468-29.77340.3587
Dolichyl beta-D-mannosyl phosphate-ME69989153481390-23.161352.0517
D-UrobilinD-UrobilinME6997266276321C0579516.08589.3053
Eicosenoic acidEicosenoic acidME6995805282768C1652628.74311.2925
Endomorphin-2Endomorphin-2ME6997185311081-28.51572.2873
Erucic acidcis-Erucic acidME6996005281116C0831629.56339.3284
Estriol 3-sulfate 16-glucuronide-ME699705151223C0303325.61545.1721
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME699591172313C0035430.04325.0116
GabapentinGabapentinME6995353446-14.74172.1295
Galabiosylceramide (d18:1/26:0)-ME69988120057280C0612626.81002.7796
Galactosylceramide (d18:1/14:0)GalCer 18:1;O2/14:0ME69975153481406C0268626.28672.5465
Gamma-Aminobutyryl-lysinegamma-Aminobutyryl-lysineME69954723208897-24.36232.165
Gamma-Glutamylcysteinegamma-GlutamylcysteineME699552123938C0066929.82251.0724
Gamma-linolenyl carnitinegamma-Linolenyl carnitineME69965253477819-51.67422.328
Ganglioside GM3 (d18:0/16:0)-ME69988653481191-8.921155.7348
Ganglioside GM3 (d18:0/24:0)-ME69988853481199-25.971267.863
Ganglioside GM3 (d18:0/25:0)-ME69988953481201-25.61281.8791
Ganglioside GM3 (d18:1/23:0)-ME69988753481207-24.951251.8349
Ganglioside GT3 (d18:1/16:0)GT3 18:1;O2/16:0ME69989753481345-28.531735.9082
Ganglioside GT3 (d18:1/18:1(11Z))-ME69989853481347-29.091761.9315
Geranylgeranyl-PPGeranylgeranyl diphosphateME699668447277C0035329.63451.2037
GestrinoneGestrinoneME69957727812-16.39309.1832
Glucosylceramide (d18:1/12:0)GlcCer 18:1;O2/12:0ME69973920057354C0119025.75644.5133
Glucosylceramide (d18:1/26:0)GlcCer 18:1;O2/26:0ME69982820057359C011909.85840.7336
GlucosylsphingosinePsychosineME6996749547206C0310818.3462.3402
Glycocholic acidGlycocholic acidME69967710140C0192120.03466.3152
Heptanoic acidHeptylic acidME6995268094C1771423.21131.1097
Hexacosanoic acidCerotic acidME69963410469-29.79397.4017
Hexacosanoyl carnitineCAR 26:0ME69970153477828-23.67540.495
Hexadecanedioic acidHexadecanedioic acidME69956410459C1961514.94287.2178
Homophytanic acidHomophytanic acidME6995933080668-29.67327.3314
Homoveratric acidHomoveratric acidME6995417139-27.77197.08
Hypogeic acid7Z-Hexadecenoic acidME6995545318393-22.8255.2342
Indoleacetyl glutamineIndoleacetyl glutamineME69957325200879-51.76304.1335
Inositol 1,3,4,5,6-pentakisphosphate-ME699722-C0128428.51580.8992
IodotyrosineIodotyrosineME699575439744C0251528.69307.9821
Kinetensin 4-7-ME69971953481567-28.92573.3035
KyotorphinTyr-ArgME699598123804C0299328.36338.1847
Lactyl-CoALactyl-CoAME6998263081970C0082718.52840.1404
L-Aspartyl-4-phosphate4-Phospho-aspartic acidME699543832C0308226.15214.0091
Leukotriene A4LTA4ME6995885280383C0090914.71319.2274
Leukotriene F4LTF4ME6997175280938C0646228.39569.2864
Linoleoyl ethanolamideLinoleoyl-EAME6995905283446-26.69324.2874
L(-)-Nicotine pestalNicotineME69953289594C0074514.76163.1281
L-OctanoylcarnitineCAR 8:0ME69956511953814C0283824.61288.2195
LPA(0:0/16:0)LPA 0:0/16:0ME69964553478599C0041615.59411.2534
LPA(0:0/18:0)LPA 0:0/18:0ME69965953478600C0041624.32439.286
L-PalmitoylcarnitineCAR 16:0ME69963811953816C0299019.36400.345
L-UrobilinogenL-UrobilinogenME699730440783C0578912.62597.3656
LysoPC(14:0)LPC 14:0ME699680460604C0423016.95468.3117
LysoPC(14:1(9Z))LPC 14:1(9Z)ME69967624779456C0423016.99466.2977
LysoPC(15:0)LPC 15:0ME69968624779458C0423019.39482.3287
LysoPC(16:0)LPC 16:0ME699688460602C0423019.27496.3443
LysoPC(16:1(9Z))LPC 16:1(9Z)ME69968724779461C0423014.78494.3219
LysoPC(18:2(9Z,12Z))LPC 18:2(9Z,12Z)ME69969611005824C042302.95520.336
LysoPC(18:3(6Z,9Z,12Z))LPC 18:3(6Z,9Z,12Z)ME69969552924045C0423019.17518.3269
LysoPC(18:4(6Z,9Z,12Z,15Z))LPC 18:4(6Z,9Z,12Z,15Z)*ME69969452924047C042302.94516.3052
LysoPC(20:3(5Z,8Z,11Z))LPC 20:3(5Z,8Z,11Z)ME69970753480467C0423021.99546.3605
LysoPC(20:4(5Z,8Z,11Z,14Z))LPC 20:4(5Z,8Z,11Z,14Z)*ME69970424779476C0423019.73544.3433
LysoPC(22:0)LPC 22:0ME69972124779479C0423014.65580.4298
LysoPC(22:1(13Z))LPC 22:1(13Z)*ME69972053480471C0423014.66578.4216
LysoPE(0:0/16:0)LPE 0:0/16:0ME69967253480922-17.6454.2963
LysoPE(0:0/16:1(9Z))LPE 0:0/16:1(9Z)ME69967053480923-16.12452.2795
LysoPE(0:0/18:1(11Z))LPE 0:0/18:1(11Z)ME69968553480924-17.99480.3125
LysoPE(0:0/18:2(9Z,12Z))LPE 0:0/18:2(9Z,12Z)*ME69968453480926-17.62478.2968
LysoPE(0:0/18:3(6Z,9Z,12Z))LPE 0:0/18:3(6Z,9Z,12Z)*ME69968253480927-17.6476.2787
LysoPE(0:0/20:1(11Z))LPE 0:0/20:1(11Z)*ME69969253480931-14.35508.3365
LysoPE(0:0/20:2(11Z,14Z))LPE 0:0/20:2(11Z,14Z)*ME69969153480932-2.95506.3213
LysoPE(0:0/20:3(11Z,14Z,17Z))LPE 0:0/20:3(11Z,14Z,17Z)*ME69969053480933-19.41504.3116
LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))LPE 0:0/20:4(5Z,8Z,11Z,14Z)*ME69968953480936-17.98502.2951
LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))LPE 0:0/22:5(4Z,7Z,10Z,13Z,16Z)*ME69969853480943-17.09528.312
LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))LPE 0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)*ME69971153480948-14.71554.3243
LysoSM(d18:1)Sphingosine-1-phosphocholineME6996785280613C0364013.78466.3553
MargaroylglycineMargaroylglycineME69959417937508-26.79328.2831
MG(0:0/20:2(11Z,14Z)/0:0)MG 0:0/20:2(11Z,14Z)/0:0*ME69962553480964-17.7383.3156
MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)MG 0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0*ME69962311660820-25.63377.2669
MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)MG 0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0*ME69965653480974-14.74431.3174
MG(18:0/0:0/0:0)MG 18:0/0:0/0:0ME69961415560610-20.4359.318
MG(18:0e/0:0/0:0)MG O-18:0ME69960510860876-26.39345.341
Molybdenum cofactor (sulfide)-ME69970053481396-14.32539.8725
Myristic acidMyristic acidME69954511005C0642427.77229.2166
N-Acetyl-L-glutamate 5-semialdehydeN-Acetyl-glutamate 5-semialdehydeME699536192878C012508.91174.0783
Neuroprotectin D1Neuroprotectin D1ME69961616042541-14.95361.2368
N-HeptanoylglycineN-HeptanoylglycineME69954010932172-2.96188.1306
N-LignoceroylsphingosineCer 18:1;O2/24:0ME6997435283571-27.08650.6491
N,N-DimethylanilineN,N-DimethylanilineME699523949C0284627.67122.0987
Nodeca-10(Z)-enoic acidNonadeca-10Z-enoic acidME6995685312513C0017426.4297.2823
Nodecanoic acidNonadecylic acidME69956912591C1653528.87299.2958
N-UndecanoylglycineN-UndecanoylglycineME699549454092-27.64244.1939
OleamideOleamideME6995625283387C1967028.27282.2788
O-(N-acetyl-a-neuraminosyl)-(2->3)-O-b-D-galactopy...-ME69989222833674-30.041364.4842
P1,P4-Bis(5'-adenosyl) tetraphosphate-ME69982053477841-8.9833.0221
Palmitic acidPalmitic acidME699556985C0024926.13257.2456
Palmitic amidePalmitamideME69955569421-28.35256.2609
PalmitoylglycineN-Palmitoyl glycineME699584151008-24.49314.2697
PC(14:0/15:0)PC 14:0/15:0*ME69975824778611C0015725.47692.5276
PC(14:0/18:1(11Z))PC 14:0/18:1(11Z)ME69977624778618C0015725.92732.5498
PC(14:0/18:2(9Z,12Z))PC 14:0/18:2(9Z,12Z)*ME69977524778624C0015726.74730.5377
PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z))PC 14:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME69978024778635C0015714.49752.5225
PC(14:0/22:1(13Z))PC 14:0/22:1(13Z)*ME69979053478609C0015723.21788.6147
PC(14:1(9Z)/16:1(9Z))PC 14:1(9Z)/16:1(9Z)*ME69976352922252C0015715.31702.5049
PC(14:1(9Z)/18:4(6Z,9Z,12Z,15Z))PC 14:1(9Z)/18:4(6Z,9Z,12Z,15Z)*ME69977352922270C0015714.26724.4901
PC(14:1(9Z)/P-16:0)-ME69975753478639C0015716.29688.5283
PC(14:1(9Z)/P-18:1(11Z))-ME69976653478643C0015713.46714.5428
PC(15:0/16:1(9Z))PC 15:0/16:1(9Z)*ME69976824778657C0015725.56718.5425
PC(15:0/20:3(5Z,8Z,11Z))PC 15:0/20:3(5Z,8Z,11Z)*ME69978353478647C0015726.28770.5657
PC(15:0/20:4(5Z,8Z,11Z,14Z))PC 15:0/20:4(5Z,8Z,11Z,14Z)*ME69978252922330C0015726.09768.5568
PC(15:0/22:0)PC 15:0/22:0*ME69980252922334C0015725.44804.6468
PC(15:0/22:1(13Z))PC 15:0/22:1(13Z)ME69980053478651C0015718802.6357
PC(15:0/22:2(13Z,16Z))PC 15:0/22:2(13Z,16Z)*ME69979652922338C0015727.08800.6148
PC(15:0/24:1(15Z))PC 15:0/24:1(15Z)*ME69981853478659C0015718.92830.6665
PC(16:1(9Z)/22:2(13Z,16Z))PC 16:1(9Z)/22:2(13Z,16Z)*ME69980752922473C0015724.04812.6138
PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PC 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69982224778876C0015724.65834.6021
PC(18:1(9Z)/18:1(9Z))PC 18:1(9Z)/18:1(9Z)ME6997896437081C0015722.99786.6053
PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PC 18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69981724778983C0015723.49830.5725
PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))PC 18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)*ME69979952922807C0015717.05802.5403
PC(18:3(6Z,9Z,12Z)/P-18:1(11Z))-ME69978153478827C0015724.78766.5762
PC(18:4(6Z,9Z,12Z,15Z)/P-16:0)-ME69977953478871C0015724.03738.5417
PC(20:0/24:0)PC 20:0/24:0*ME69985653478885C0015727.8902.7619
PC(20:2(11Z,14Z)/P-18:1(11Z))-ME69979453478939C0015725.57796.6205
PC(20:3(5Z,8Z,11Z)/P-18:1(11Z))-ME69979353479005C0015725.56794.6111
PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)...PC 20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69983752923327C0015722.17854.5676
PC(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))-ME69979253479053C0015724.28792.5921
PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(11Z))-ME69979153479143C0015726.45790.5772
PC(22:0/24:1(15Z))PC 22:0/24:1(15Z)ME69986224779122C0015727.41928.7695
PC(22:0/P-18:1(11Z))-ME69981553479161C0015728.13828.6879
PC(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z...PC 22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69985052923669C0015725.11882.5969
PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,...PC 22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69984853479327C0015722.33880.5851
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))-ME69980853479427C0015726.37816.592
PC(24:0/24:1(15Z))PC 24:0/24:1(15Z)*ME69987153479477C0015727.81956.8032
PC(24:1(15Z)/24:1(15Z))PC 24:1(15Z)/24:1(15Z)ME6998706452499C0015728.06954.7908
PC(24:1(15Z)/P-18:1(11Z))-ME69983853479547C0015728.12854.6994
PC(o-18:0/24:0)PC O-18:0/24:0ME69984253481717-31.97860.7427
PE(14:0/14:0)PE 14:0/14:0ME6997359852308C0035015.69636.4645
PE(14:0/14:1(9Z))PE 14:0/14:1(9Z)*ME69973452924113C0035012.61634.4411
PE(14:0/P-18:1(11Z))-ME69975353479561C0035010.46674.51
PE(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PE 14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69977752924156C0035014.7734.475
PE(14:1(9Z)/P-16:0)-ME69974153479571C0035019.22646.4799
PE(15:0/18:4(6Z,9Z,12Z,15Z))PE 15:0/18:4(6Z,9Z,12Z,15Z)*ME69976052924165C0035015.17698.4768
PE(15:0/P-16:0)PE P-16:0/15:0 or PE O-16:1/15:0ME69974653479583C0035019.73662.5081
PE(16:0/P-18:1(11Z))-ME69976453479594C0035016.86702.5438
PE(16:1(9Z)/P-18:1(11Z))-ME69976253479607C0035012.82700.5268
PE(18:1(11Z)/22:2(13Z,16Z))PE 18:1(11Z)/22:2(13Z,16Z)*ME69979553479639C0035020.23798.6
PE(18:3(6Z,9Z,12Z)/P-16:0)-ME69976153479681C0035023.28698.5136
PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z))-ME69977153479707C0035015.59722.5118
PE(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PE 20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69981152924877C0035025.83820.5816
PE(20:1(11Z)/24:1(15Z))PE 20:1(11Z)/24:1(15Z)*ME69983953479725C0035022.58856.6752
PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))PE 20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)*ME69983453479838C0035021.96848.6202
PE(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z...PE 22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69982752923868C0035025.47840.5521
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))-ME69978653479907C0035023.7778.5785
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,...PE 22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69982553479935C003508.71838.5359
PentacosanoylglycinePentacosanoylglycineME69966153481662-29.67440.4151
PG(16:0/16:0)PG 16:0/16:0ME699772446440-15.58723.5144
PG(16:0/20:3(5Z,8Z,11Z))PG 16:0/20:3(5Z,8Z,11Z)*ME69978453480603-23.2773.5296
PG(18:0/18:0)PG 18:0/18:0ME69978724779552-23.7779.5814
PG(18:0/22:5(4Z,7Z,10Z,13Z,16Z))PG 18:0/22:5(4Z,7Z,10Z,13Z,16Z)*ME69981453480612-24.41825.5631
PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PG 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69981324779554-24.44823.554
PGF2a ethanolamidePGF2alpha-EAME69963753481911C1382827.07398.2904
PGP(16:0/22:5(4Z,7Z,10Z,13Z,16Z))-ME69984753481804-28.73877.4954
PGP(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))-ME69984653481806-28.51875.4827
PGP(18:0/18:1(11Z))-ME69984053481823-23.87857.5347
PGP(18:0/20:3(5Z,8Z,11Z))-ME69984953481828-23.66881.5344
PGP(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))-ME69983353481886-11.57847.4548
Phosphohydroxypyruvic acidPhosphohydroxypyruvic acidME699538105C0323228.25184.9805
PhytoenePhytoeneME6997065280784C0541325.77545.5038
PhytosphingosinePhytosphingosineME699586122121C1214427.89318.2989
Phytosphingosine-1-PPhytosphingosine 1-phosphateME69963653481399-23.85398.2628
PI(16:0/16:0)PI 16:0/16:0ME699806-C0062614.32811.5367
PI(16:0/16:2(9Z,12Z))PI 16:0/16:2(9Z,12Z)*ME699804--8.73807.5004
PI(16:0/18:1(11Z))PI 16:0/18:1(11Z)*ME699824--23.92837.5473
PI(16:0/20:0)PI 16:0/20:0*ME699845--24.23867.593
PI(16:0/20:3(5Z,8Z,11Z))PI 16:0/20:3(5Z,8Z,11Z)*ME699843--29.51861.554
PI(16:0/22:2(13Z,16Z))PI 16:0/22:2(13Z,16Z)*ME699855--24.08891.5999
PI(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PI 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME699858--19.14911.5646
PIP(16:0/20:1(11Z))-ME69986753480124C0062624.19945.5501
Pregnetriol-ME6995973032833-25.92337.2764
ProcaineProcaineME699548--12.79237.1589
Propinol adenylatePropinol adenylateME699642440863C0598330.31404.097
PropionylcholinePropionylcholineME69953175612-25.08161.1399
Prostaglandin E2 ethanolamidePGE2 ethanolamideME69963335021785-25.84396.2764
Prostaglandin F2aPGF2alphaME6996115283078C0063914.43355.2487
PS(14:0/16:1(9Z))PS 14:0/16:1(9Z)*ME69976552926036-15.42706.462
PS(14:1(9Z)/18:3(9Z,12Z,15Z))PS 14:1(9Z)/18:3(9Z,12Z,15Z)*ME69977452925233-14.42728.4501
PS(16:0/16:0)PS 16:0/16:0ME6997783081382C0273723.9736.5083
PS(18:0/20:0)PS 18:0/20:0ME69981252926069C0273726.39820.6032
PseudoephedrinePseudoephedrineME6995337028C0276514.49166.1233
(R)-3-Hydroxy-Octadecanoic acid-ME6995715312838-25.29301.2781
(R)-Amphetamine-ME69952732893C0751424.88136.1082
RetilRetinalME699563638015C0037624.5285.223
Retinoic acidRetinoic acidME699570444795C0077716.46301.2166
Retinoyl b-glucuronideRetinoyl beta-glucuronideME6996835281877C110619.24477.2487
Ribose 1,5-bisphosphateRibose 1,5-bisphosphateME69957814035695C0115129.58310.9916
(S)-2,3-Epoxysqualene(S)-2,3-EpoxysqualeneME69965453477723C0105428.52427.3921
S-AdenosylmethionimineS-AdenosylmethioninamineME699612439415C0113716.62356.1625
SelenocysteineSelenocysteineME69953425076C0568828.09168.9662
SM(d17:1/24:1(15Z))SM 17:1;O2/24:1(15Z)ME69979752931208-26.68800.6815
SM(d18:0/12:0)SM 18:0;O2/12:0ME69974453481358C0055024.77651.5451
SM(d18:0/14:0)SM 18:0;O2/14:0ME69975644260138C0055024.63677.56
SM(d18:0/26:1(17Z))SM 18:0;O2/26:1(17Z)ME69982944260128C0055028.2841.7197
SM(d18:1/14:0)SM 18:1;O2/14:0ME69975411433862-24.06675.5478
SM(d19:1/24:1(15Z))SM 19:1;O2/24:1(15Z)*ME69981652931224C0055026.64828.7083
(S)-SuccinyldihydrolipoamideS(8)-SuccinyldihydrolipoamideME699576439425C0116927.17308.1025
StearoylethanolamideStearoyl-EAME69959527902-28.25328.319
Testosterone glucuronideTestosterone glucuronideME699675108192C1113415.08465.2529
Tetracosahexaenoic acidTetracosahexaenoic acidME69961311792612-13.92357.2806
Tetrahydroaldosterone-3-glucuronideTetrahydroaldosterone-3-glucuronideME699702167918C0303328.21541.264
TG(15:0/16:0/20:2(11Z,14Z))[iso6]TG 15:0/16:0/20:2(11Z,14Z)*ME69983253481032-28.1845.7607
TG(15:0/16:0/20:3(8Z,11Z,14Z))[iso6]TG 15:0/16:0/20:3(8Z,11Z,14Z)*ME69983153481033-27.78843.7468
TG(15:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso6]TG 15:0/16:0/20:4(5Z,8Z,11Z,14Z)*ME69983053481034-27.5841.7287
TG(15:0/18:1(9Z)/16:0)[iso6]TG 15:0/18:1(9Z)/16:0*ME69981053481037-28.01819.7429
TG(15:0/18:1(9Z)/16:1(9Z))[iso6]TG 15:0/18:1(9Z)/16:1(9Z)*ME69980953481038-24.01817.7243
TG(16:0/14:0/16:0)[iso3]TG 16:0/14:0/16:0ME699788545606-28.11779.7115
TG(16:0/16:0/16:0)[iso]TG 16:0_16:0_16:0ME69980511147-28.14807.7451
TG(16:0/16:0/16:1(9Z))[iso3]TG 16:0/16:0/16:1(9Z)ME6998039543986C0042227.82805.7279
TG(16:0/16:0/18:1(9Z))[iso3]TG 16:0/16:0/18:1(9Z)*ME69982125240460C0042228.14833.7573
TG(16:0/16:0/18:2(9Z,12Z))[iso3]TG 16:0/16:0/18:2(9Z,12Z)*ME69981925240356C0042227.92831.7403
TG(16:0/16:0/20:1(11Z))[iso3]TG 16:0/16:0/20:1(11Z)*ME6998449544062C0042229.18861.7877
TG(16:0/16:1(9Z)/16:1(9Z))[iso3]TG 16:0/16:1(9Z)/16:1(9Z)*ME6998019543987C0042228.03803.7152
TG(16:0/18:0/18:2(9Z,12Z))[iso6]TG 16:0/18:0/18:2(9Z,12Z)*ME6998419544069C0042228.12859.7787
TG(16:0/18:0/20:1(11Z))[iso6]TG 16:0/18:0/20:1(11Z)*ME6998539544170C0042228.82889.8219
TG(16:0/18:1(9Z)/20:1(11Z))[iso6]TG 16:0/18:1(9Z)/20:1(11Z)*ME6998529544199C0042228.22887.8057
TG(16:0/18:2(9Z,12Z)/20:1(11Z))[iso6]TG 16:0/18:2(9Z,12Z)/20:1(11Z)*ME6998519544231C0042228.07885.7894
TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]TG 16:0/20:0/20:4(5Z,8Z,11Z,14Z)*ME6998599544514C0042229.12911.8041
TG(16:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]TG 16:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)*ME6998579544572C0042228.81909.7862
TG(16:1(9Z)/14:0/16:1(9Z))[iso3]TG 16:1(9Z)/14:0/16:1(9Z)*ME69978553480484-28775.679
TG(18:0/18:2(9Z,12Z)/20:1(11Z))[iso6]TG 18:0/18:2(9Z,12Z)/20:1(11Z)*ME69986025240377C0042228.22913.8211
TG(18:0/20:0/20:0)[iso3]TG 18:0/20:0/20:0*ME6998689544551C0042229.76947.9049
TG(18:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]TG 18:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)*ME6998669544904C0042229.11937.8213
TG(18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]TG 18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)*ME6998659544977C0042229.07935.8042
TG(18:2(9Z,12Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso...TG 18:2(9Z,12Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)*ME6998649545051C0042228.75933.7864
TG(20:0/20:1(11Z)/20:1(11Z))[iso3]TG 20:0/20:1(11Z)/20:1(11Z)*ME6998779545040C0042229.92971.9051
TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]TG 20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)*ME6998759545280C0042228.23965.8533
TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[i...TG 20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)*ME6998729545507C0042226.85959.809
TG(20:1(11Z)/20:1(11Z)/20:1(11Z))TG 20:1(11Z)/20:1(11Z)/20:1(11Z)*ME6998769545117C0042231.27969.8852
TG(20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3]TG 20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)*ME6998739545357C0042228.21963.8405
TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z))[iso6...TG 20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z)*ME69983553480560-28.12849.6948
TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z...TG 20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69986953480569-25.14953.7602
TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z...TG 20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME6998789546333-26.21975.742
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10...TG 22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69988053480587-27.07979.7771
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7...TG 22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69987953480589-26.87977.7585
ThymolThymolME6995306989C0990825.07151.1146
trans-D-Decenoyl-CoA-ME6998615462212-8.31920.2481
Tridecanoic acidTridecylic acidME69954412530C1707630.02215.203
Trihexosylceramide (d18:1/24:0)Hex3Cer 18:1;O2/24:0ME69988514184732C0473725.441136.8074
Trihexosylceramide (d18:1/24:1(15Z))-ME69988420057318C0473725.441134.7874
Trihexosylceramide (d18:1/9Z-18:1)-ME69988220057314C0473716.481050.6981
Triphosphate-ME6995533440921C0053620.75253.8748
Triterpenoid-ME699709451674C0608529.09553.3166
Ubiquinol-6Ubiquinol-6ME6997275813154-20.77593.4526
UndecanoylcholineUndecanoylcholineME69955953481666-28.26273.2648
Uroporphyrinogen IIIUroporphyrinogen IIIME6998231179C010518.88837.2817
VenlafaxineVenlafaxineME6995605656C0718723.28278.2168


Analysis: FT-ICR-MS Negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
12a-Hydroxy-3-oxocholadienic acid12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic acidME69991653477691C1556916.57385.2343
19-Hydroxy-PGE219R-Hydroxy-PGE2ME6999515283038-15.94367.212
3a,16b-Dihydroxyandrostenone-ME699936--24.36303.1968
AzythromycinAzithromycinME69992353477736C0683824.78747.5005
CanrenoneCanrenoneME69994813789-17.15339.1968
DG(14:0/22:4(7Z,10Z,13Z,16Z)/0:0)DG 14:0/22:4(7Z,10Z,13Z,16Z)/0:0*ME69994653477966-26615.5003
DG(15:0/18:0/0:0)DG 15:0/18:0/0:0*ME69994714275365-25.36581.5164
DG(15:0/20:0/0:0)DG 15:0/20:0/0:0*ME69991753478007-26.12609.5462
DG(15:0/22:0/0:0)DG 15:0/22:0/0:0*ME69991353478015-26.77637.5764
DG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)DG 16:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0*ME69992153478030-26.05641.5144
DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)DG 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*ME6999329543881-25.97667.53
DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)DG 22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*ME6999189543967-26.79719.5582
Eicosadienoic acidEicosadienoic acidME6999446439848C1652521.15307.2618
Eicosapentaenoic acidEicosapentaenoic acidME699899446284C0642817.6301.2149
FinasterideFinasterideME69992257363D0032126.59371.2649
GingerolGingerolME6999503473C1046215.94293.1769
IsoacitretinIsoacitretinME6999456437841-16.25325.1815
Lactosylceramide (d18:1/12:0)-ME69994120057304C0129026.24804.5507
LysoPC(10:0)LPC 10:0ME6999525313971-16.01411.2371
LysoPE(0:0/16:1(9Z))LPE 0:0/16:1(9Z)ME69990153480923-15.8450.257
Nonadecanoic acidNonadecylic acidME69990512591C1653521.97297.2776
Oleic acidOleic acidME699938445639C0071220.05281.2466
PA(20:4(5Z,8Z,11Z,14Z)e/2:0)-ME69990053480670-15.13485.2715
Palmitic acidPalmitic acidME699939985C0024919.79255.2314
PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PC 18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69990424778983C0015726.07828.5553
PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)...PC 20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69990752923327C0015726.32852.5556
PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PC o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69994053481755-27.27874.6658
PE(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PE 14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69993152924156C0035024.32732.4652
PE(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)...PE 18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69991952924469C0035024.19782.479
PE(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PE 20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69992753479768C0035025.73812.5238
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)...PE 20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69992052924662C0035025.18810.5087
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,...PE 20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69991052924872C0035024.27808.4929
PE(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))PE 22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)*ME69991553479901C0035026.98840.5551
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,...PE 22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME69993453479935C0035025.5836.5235
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,...PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME6999249546797C0035024.79834.5065
PE(O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z))PE O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z)*ME6999429547058C0035023.05750.5423
Retinoic acidRetinoic acidME699926444795C0077716.36299.1993
SM(d18:0/14:1(9Z)(OH))SM 18:0;O2/14:1;OME69990353481777C0055025.33687.5064
Stearic acidStearic acidME6999335281C0153021.28283.2622
TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]TG 16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)*ME6999069544150C0042229.11851.7124
TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]TG 16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)*ME6999499544319C0042229.39879.743
TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]TG 16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)*ME6999099544362C0042229.05877.7251
TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[i...TG 16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)*ME6999299544762C0042228.71901.7245
TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3]TG 16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)*ME6999359544179C0042228.73849.6952
TG(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6...TG 16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)*ME6999129544410C0042228.71875.7103
TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z...TG 16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)*ME6999149544831C0042228.65899.7094
TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]TG 18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)*ME6999089544638C0042229.34905.755
TG(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6...TG 18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)*ME6999259544702C0042229.03903.7403
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z...TG 18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)*ME6999309545200C0042228.71927.7402
TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z...TG 18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)*ME6999029545277C0042228.43925.7246
TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))...TG 18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z)*ME69993714390011-28.67873.6952
TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z))[iso6...TG 20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z)*ME69994353480560-28.36847.6815
Trihexosylceramide (d18:1/18:0)Hex3Cer 18:1;O2/18:0ME69991114215292C0473726.251050.6955
VerapamilVerapamilME6999282520C0718817.59453.2754


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