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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
10,22-Dimethyldotriacontane10,22-DimethyldotriacontaneME150555--3.1412520.5801492
10E,12E-tetradecadiene-4,6-diynoic acid-ME150448--0.65275217.1215175
1-(10-methyl-hexadecanoyl-2-(8-[3]-ladderane-octan...-ME150606--4.973033333617.5478246
1-(10-methyl-hexadecanyl-2-(8-[3]-ladderane-octany...-ME150618--4.7711644.5996143
11-docosenoic acid-ME150465--2.783866667303.3044014
11-hydroxy palmitic acid11-Hydroxy palmitic acidME150452--4.79235237.2205071
12:0 Cholesteryl esterCE 12:0ME150594--4.473933333591.5129039
12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-...-ME150451--2.059916667237.1488828
12,14-Heptacosadiynoic acid12,14-Heptacosadiynoic acidME150493--4.505533333367.3362585
12,14-Heptacosadiynoic acid.112,14-Heptacosadiynoic acidME150494--4.973033333367.3356518
12,14-Pentacosadiynoic acid12,14-Pentacosadiynoic acidME150508--4.390116667397.3070336
12-chloro-dodecanoic acid12-Chloro-dodecanoic acidME150447--0.400333333199.1251773
(12Z,15S,18S)-15-hydroxy-18-bromo-12,16,17-octadec...-ME150510--1.083383333411.0934891
13,17,21-Trimethyltritriacontane13,17,21-TrimethyltritriacontaneME150573--3.97005548.6108403
13,17,21-Trimethyltritriacontane.113,17,21-TrimethyltritriacontaneME150574--3.382116667548.6128139
13,17-Dimethyl-1-pentatriacontene13,17-Dimethyl-1-pentatriaconteneME150567--3.403066667536.6138833
13,17-Dimethyl-1-tritriacontene13,17-Dimethyl-1-tritriaconteneME150548--3.16215508.5824612
13-Methyl-1-hentriacontene13-Methyl-1-hentriaconteneME150522--2.79435466.5350652
13-Methyl-1-tritriacontene13-Methyl-1-tritriaconteneME150540--3.0574494.567243
13-Methylheptatriacontane13-MethylheptatriacontaneME150587--3.57185576.6443942
13Z-hexadecenoic acid(Z)-13-Hexadecenoic acidME150457--4.802983333255.2312995
14-methyl-1-pentadecanol14-Methyl-1-pentadecanolME150459--4.919866667265.2503932
15-methyl-15S-PGE215-Methyl-15S-PGE2ME150477--0.6318331.2253766
15-Methyltetratriacontane15-MethyltetratriacontaneME150565--3.32975534.5969656
15-Methyltetratriacontane.115-MethyltetratriacontaneME150566--4.348216667534.5959046
16:2 Cholesteryl esterCE 16:2ME150636--3.917583333662.5878061
1-(6-[3]-ladderane-hexanoyl)-2-(8-[3]-ladderane-oc...-ME150752--3.403066667784.4696647
1-(6-[3]-ladderane-hexanyl)-2-(8-[3]-ladderane-oct...-ME150736--3.760383333774.5819875
1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-oc...-ME150747--3.319266667782.4499598
16-fluoro-hexadecanoic acid16-Fluoro-hexadecanoic acidME150463--0.767966667297.2207611
16-oxo-heptadecanoic acid16-Oxoheptadecanoic acidME150461--4.760466667285.2425175
17:1 Cholesteryl esterCE 17:1ME150633--4.962383333659.5752535
17-octadecenoic acid17-Octadecenoic acidME150460--4.075866667283.2621608
17-oxo-octadecanoic acid17-Oxo-octadecanoic acidME150464--4.802983333299.257838
18:0 Cholesteryl esterCE 18:0ME150631--4.717966667653.6232677
18:1 Cholesteryl esterCE 18:1ME150655--4.17015692.6350352
1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-oct...-ME150603--4.53695615.5139359
1-(8-[5]-ladderane-octanyl)-2-(8-[3]-ladderane-oct...-ME150677--3.907033333722.527485
18-acetoxy-PGF2alpha-11-acetate18-Acetoxy-PGF2alpha-11-acetateME150525--0.431766667472.2892408
18-oxo-nonadecanoic acid18-Oxononadecanoic acidME150469--4.856116667313.2736328
19-HOME(9Z)18-HOME(9Z)ME150458--4.845483333263.2361543
19-hydroxy-nonadecanoic acid19-Hydroxy-nonadecanoic acidME150478--0.6737332.3162264
1-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-g...-ME150462--2.6896295.102537
1-O-alpha-D-glucopyranosyl-1,2-nonadecandiol1-O-alpha-D-Glucopyranosyl-1,2-nonadecandiolME150536--1.17765485.3468611
1-(O-alpha-D-glucopyranosyl)-(1,3R,25S,27R)-octaco...-ME150612--4.696716667621.4911321
1-(O-alpha-D-mannopyranosyl)-25-keto-(1,3R,27R)-oc...-ME150614--4.075866667636.5033018
20:0 Cholesteryl esterCE 20:0ME150660--4.95175703.6381707
20:5 Cholesteryl ester-ME150664--4.253933333709.530999
21-hydroxy-heneicosanoic acid21-Hydroxy-heneicosanoic acidME150490--0.883183333360.3470884
(21-Methyl-8Z-pentatriacontene(21-Methyl-8Z-pentatriaconteneME150557--3.28785522.5987916
22:0 Cholesteryl ester-ME150686--4.781733333731.6641731
22:6 Cholesteryl esterCE 22:6ME150691--3.728966667735.5476312
2,6,10-Trimethyl-2,4Z,6Z,10Z-dodecatetraene2,6,10-Trimethyl-2,4Z,6Z,10Z-dodecatetraeneME150454--0.400333333243.151028
2,6-nonadienoic acid2,6-Nonadienoic acidME150426--1.54545119.0853849
2,6Z-Nonadien-4-olide2,6Z-Nonadien-4-olideME150446--0.621316667194.1171977
2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoch...-ME150579--0.410816667552.3434388
2-amino-14,16-dimethyloctadecan-3-ol2-Amino-14,16-dimethyloctadecan-3-olME150483--2.468483333336.3235944
2-amino-heptanoic acid2-Aminoheptanoic acidME150445--1.26145184.0731196
2-arachidonoyl glycerol-d5MG 20:4ME150509--4.696716667425.3374339
2-arachidonoyl glycerol-d5.1MG 20:4ME150514--4.180616667401.3429428
2E,4E-dodecadienoic acid2E,4E-Dodecadienoic acidME150440--4.993983333161.1324232
2E,4E-dodecadienoic acid.12E,4E-Dodecadienoic acidME150441--4.505533333161.1324531
2E-Hexene2E-HexeneME150417--2.762916667102.1275892
2E-Hexene.12E-HexeneME150418--3.907033333102.1275451
2E-methyl-glutaconic acid-ME150433--0.65275145.0491288
2-hydroxy-nonadecanoic acid2-Hydroxynonadecanoic acidME150479--1.125266667332.3166737
2-Methyl-3-buten-1-ol2-Methyl-3-buten-1-olME150419--1.0729104.1068946
2-Methyl-3-buten-1-ol.12-Methyl-3-buten-1-olME150420--1.71305104.1069206
2-Methyl-3-buten-1-ol.22-Methyl-3-buten-1-olME150421--1.26145104.1070136
2-methyl-glutaric acid2-Methylglutaric acidME150434--3.603266667147.0650194
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galacto...-ME150601--1.355716667612.3230199
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galacto...-ME150582--2.762916667565.2485402
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galacto...-ME150575--3.833716667549.2525459
2-Oxo-4E-hexenoic acid2-Oxo-4E-hexenoic acidME150429--0.663216667129.0543998
2S-acetyl-2-hydroxy-butanoic acidAcetohydroxybutyric acidME150435--3.424066667147.0653049
2S-acetyl-2-hydroxy-butanoic acid.1Acetohydroxybutyric acidME150436--3.875616667147.0657308
2S-acetyl-2-hydroxy-butanoic acid.2Acetohydroxybutyric acidME150437--3.749916667147.0655526
2S-acetyl-2-hydroxy-butanoic acid.3Acetohydroxybutyric acidME150438--2.6896147.0652983
2S-aminoheptanoic acid2S-Aminoheptanoic acidME150443--3.340216667184.0730199
2S-aminoheptanoic acid.12S-Aminoheptanoic acidME150444--3.214533333184.0730658
2S-Hydroxy-2-isopropylbutano-3S-lactone2S-Hydroxy-2-isopropylbutano-3S-lactoneME150423--0.767966667109.0646416
3,5,7,9,11,13,15,17,19-nonaoxo-henicosanoyl-[acp]-ME150519--4.159666667432.0851477
3,7-dimethyl-2-octenoic acid3,7-Dimethyl-2-octenoic acidME150432--4.993983333135.1167432
3-hydroxymethyl-glutaric acid3-Hydroxymethylglutaric acidME150428--0.65275127.0387871
3-methyl-octadecanoic acid3-Methyl-octadecanoic acidME150472--1.744466667316.320873
3-oxo-nonadecanoic acid3-Oxononadecanoic acidME150468--3.896566667313.2733764
3-oxo-octanoyl-CoA3-Oxooctanoyl-CoAME150904--4.2853666671020.333762
3R-Hydroxybutan-2-one3R-Hydroxybutan-2-oneME150422--0.872716667106.0860321
(3-sulfo)Galbeta-Cer(d18:0/18:0(2OH))-ME150802--3.582316667824.556626
3Z,6Z,9Z-Pentacosatriene3Z,6Z,9Z-PentacosatrieneME150497--2.9201385.322411
(4E,8E,9Me-d19:2)sphingosine(4E,8E,9Me-d19:2) SphingosineME150486--4.654216667353.3151357
5,7-nonadienoic acid5,7-Nonadienoic acidME150427--0.65275119.0854016
5-oxo-heneicosanoic acid5-Oxo-heneicosanoic acidME150484--3.298316667341.3056822
5-oxo-heneicosanoic acid.15-Oxo-heneicosanoic acidME150485--4.337733333341.3063565
6,8,10,12-pentadecatetraenal6,8,10,12-PentadecatetraenalME150449--2.112283333219.1738956
6,8,10,12-pentadecatetraenal.16,8,10,12-PentadecatetraenalME150450--3.12025219.1738568
6,8-dihydroxy-octanoic acid6,8-Dihydroxyoctanoic acidME150442--0.400333333177.1118657
6-bromo-tricosa-5E,9Z-dienoic acid-ME150523--0.621316667467.1932556
6Z,9Z,20-Heneicosatriene6Z,9Z,20-HeneicosatrieneME150480--0.883183333332.3308747
6Z,9Z-Heneicosadien-11-one6Z,9Z-Heneicosadien-11-oneME150476--4.379633333324.3262064
7-Acetoxy-7,8-dihydrobromovulone II7-Acetoxy-7,8-dihydrobromovulone IIME150558--0.65275523.1079487
7Z-Heneicosene7Z-HeneicoseneME150467--1.45005312.362588
8,10-octadecadiynoic acid8,10-Octadecadiynoic acidME150453--2.762916667241.1941988
8,12-dihydroxy-11-chloro-5Z,9Z,14Z,17Z-eicosatetra...-ME150482--3.833716667335.177268
8,12-dihydroxy-9-chloro-5Z,10Z,14Z,17Z-eicosatetra...-ME150481--2.762916667335.1769756
8-[3]-ladderane-1-octanol-ME150466--4.316783333308.2943018
8-Nonen-2-one8-Nonen-2-oneME150439--3.907033333158.1536891
9-deoxy-9-methylene-PGE29-Deoxy-9-methylene-PGE2ME150470--0.767966667315.2315742
9Z-Tritriacontene9Z-TritriaconteneME150533--2.909616667480.5503478
acyl CoA-ME150787--4.159666667812.1368169
Anandamide 0-phosphate-ME150521--4.79235445.282744
bromovulone IBromovulone IME150500--2.679116667389.1107931
bromovulone I.1Bromovulone IME150501--3.214533333389.1108086
bromovulone I.2Bromovulone IME150502--3.424066667389.1108982
bromovulone I.3Bromovulone IME150503--2.972466667389.1108834
bromovulone I.4Bromovulone IME150504--2.33225389.1109848
C20 SulfatideSHexCer 18:1;O2/20:0ME150818--3.025016667836.5885943
Caldarchaeol-ME150918--4.0758666671302.328869
Cer(d18:0/15:0)Cer 18:0;O2/15:0ME150561--3.4555526.5174992
Cer(d18:0/24:0)Cer 18:0;O2/24:0ME150630--3.959466667690.6173277
Cer(d18:0/24:0).1Cer 18:0;O2/24:0ME150654--3.844183333652.6573796
Cer(d18:0/24:1(15Z))Cer 18:0;O2/24:1(15Z)*ME150641--4.337733333672.6242956
Cer(d18:0/26:0)Cer 18:0;O2/26:0ME150646--4.043483333680.6924981
Cer(d18:1/16:0)Cer 18:1;O2/16:0ME150586--3.4136576.4751476
Cer(d18:1/19:0)Cer 18:1;O2/19:0ME150572--1.05195544.5435098
Cer(d18:1/2:0)Cer 18:1;O2/2:0ME150496--4.327266667383.3275064
Cer(d18:1/25:0)Cer 18:1;O2/25:0ME150649--4.526483333681.6860072
Cer(d18:2/20:0)Cer 18:2;O2/20:0ME150613--4.781733333633.5933366
Cer(d18:2/23:0)Cer 18:2;O2/23:0ME150629--4.12825651.6400027
CerP(d18:0/16:0)CerP 18:0;O2/16:0ME150609--1.744466667637.5254824
CerP(d18:0/16:0).1CerP 18:0;O2/16:0ME150615--3.92805620.5044155
Cer(t18:0/16:0)Cer 18:0;O3/16:0ME150554--3.20405520.5100344
CoA(18:1(9Z))CoA 18:1(9Z)*ME150911--4.2331070.326193
CoA(18:2(6Z,9Z))CoA 18:2(6Z,9Z)*ME150900--4.601066667994.3282662
CoA(20:1(11Z))11Z-Eicosenoyl-CoAME150913--4.4948833331082.378525
CoA(22:6(4Z,7Z,10Z,13Z,16Z,19Z))CoA 22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150914--3.7394333331100.331142
CoA(24:6(6Z,9Z,12Z,15Z,18Z,21Z)(3OH))-ME150915--4.1596666671160.335696
CoA(24:7(2E,6Z,9Z,12Z,15Z,18Z,21Z))CoA 24:7(2E,6Z,9Z,12Z,15Z,18Z,21Z)*ME150909--4.6542166671068.346598
DG(12:0/16:0/0:0)[iso2]DG 12:0/16:0/0:0*ME150577--1.849216667551.4066319
DG(12:0/17:0/0:0)[iso2]DG 12:0/17:0/0:0*ME150583--3.708016667565.423429
DG(13:0/16:1(9Z)/0:0)[iso2]DG 13:0/16:1(9Z)/0:0*ME150560--3.823233333525.4487433
DG(14:0/16:1(9Z)/0:0)[iso2]DG 14:0/16:1(9Z)/0:0*ME150546--3.24595503.4454902
DG(14:0/18:0/0:0)[iso2]DG 14:0/18:0/0:0*ME150598--4.022533333607.4681199
DG(14:1(9Z)/14:1(9Z)/0:0)DG 14:1(9Z)/14:1(9Z)/0:0ME150527--3.844183333473.3967045
DG(14:1(9Z)/16:1(9Z)/0:0)[iso2]DG 14:1(9Z)/16:1(9Z)/0:0*ME150569--2.930566667537.4531188
DG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]DG 14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0*ME150593--3.749916667587.4660567
DG(14:1(9Z)/22:1(11Z)/0:0)[iso2]DG 14:1(9Z)/22:1(11Z)/0:0*ME150617--4.075866667643.5254446
DG(15:0/15:0/0:0)DG 15:0/15:0/0:0*ME150589--3.812766667579.4405192
DG(15:0/21:0/0:0)[iso2]DG 15:0/21:0/0:0*ME150622--4.505533333647.5607387
DG(15:1(9Z)/19:0/0:0)[iso2]DG 15:1(9Z)/19:0/0:0*ME150605--4.043483333617.5124351
DG(16:0/0:0/16:0) (d5)DG 16:0/0:0/16:0*ME150595--4.4844591.5700651
DG(16:0/19:0/0:0)[iso2]DG 16:0/19:0/0:0*ME150599--3.833716667611.5599298
DG(16:1(9Z)/22:0/0:0)[iso2]DG 16:1(9Z)/22:0/0:0*ME150604--4.760466667615.5734306
DG(17:0/0:0/17:0) (d5)DG 17:0/0:0/17:0*ME150608--4.664833333619.6055388
DG(18:0/18:0/0:0)DG 18:0/18:0/0:0ME150621--4.337733333647.5594509
DG(19:0/22:3(10Z,13Z,16Z)/0:0)[iso2]DG 19:0/22:3(10Z,13Z,16Z)/0:0*ME150680--4.022533333727.5665287
DG(19:0/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2]DG 19:0/22:4(7Z,10Z,13Z,16Z)/0:0*ME150628--4.59045651.5723705
DG(19:1(9Z)/18:2(9Z,12Z)/0:0)[iso2]DG 19:1(9Z)/18:2(9Z,12Z)/0:0*ME150626--3.749916667650.5745214
DG(19:1(9Z)/20:1(11Z)/0:0)[iso2]DG 19:1(9Z)/20:1(11Z)/0:0*ME150651--4.096816667685.5744047
DG(20:4(5Z,8Z,11Z,14Z)/0:0/20:4(5Z,8Z,11Z,14Z)) (d...DG 20:4(5Z,8Z,11Z,14Z)/0:0/20:4(5Z,8Z,11Z,14Z)*ME150666--4.4844711.5750183
DG(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]DG 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*ME150706--4.264416667752.6162051
DG(22:3(10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso...DG 22:3(10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0*ME150652--4.505533333687.569412
DG(O-16:0/18:1(9Z))DG O-16:0_18:1ME150596--3.3088603.5321359
DG(O-16:0/18:1(9Z)).1DG O-16:0_18:1ME150597--4.9305603.5328708
DG(P-14:0/18:1(9Z))DG P-14:0_18:1ME150578--4.919866667551.5045582
Dichotellate BDichotellate BME150512--2.930566667419.3175048
Dichotellate B.1Dichotellate BME150520--2.930566667441.2986012
D-Leucic acidD-Leucic acidME150431--0.421283333133.085343
Docosanedioic acidDocosanedioic acidME150506--2.6477393.2979864
EnanthaldehydeEnanthaldehydeME150430--3.907033333132.1378343
Galalpha1-3(Fucalpha1-2)Galbeta1-4Glcbeta-Cer(d18:...-ME150916--4.421551215.794931
Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)-ME150912--3.5823166671080.744795
GalCer(d18:0/20:0)GalCer 18:0;O2/20:0ME150745--4.096816667780.6298325
GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:...-ME150917--3.014551249.737163
GlcCer(d18:0/20:0)GlcCer 18:0;O2/20:0ME150714--4.834866667758.6524632
Ins-1-P-6-Man-beta1-2-Ins-1-P-Cer(t18:0/26:0(2OH))-ME150920--4.4110666671399.804134
Ins-1-P-Cer(d18:1/22:0)IPC 18:1;O2/22:0ME150869--3.6347902.5897674
Ins-1-P-Cer(t18:0/26:0)-ME150890--3.539466667955.7359104
Isopropyl hexadecanoateIsopropyl hexadecanoateME150471--1.555933333316.3205951
Linoleyl behenateLinoleyl behenateME150600--4.569333333611.5736135
Linoleyl stearateLinoleyl stearateME150564--4.675466667533.5289216
Manbeta1-4Glcbeta-Cer(d18:1/16:0)-ME150839--3.20405862.6221943
Mayolene-16Mayolene-16ME150563--4.739216667533.4568209
Mayolene-18Mayolene-18ME150581--4.824233333561.4881468
methyl 13-butylperoxy-9,11-octadecadienoate-ME150513--0.998616667424.3419489
methyl 9-hydroperoxy-10,12,13,15-bisepidioxy-16E-o...-ME150517--2.6058430.2449748
methyl 9-hydroperoxy-10,12,13,15-bisepidioxy-16E-o...-ME150518--2.500083333430.243621
MethylcyclohexaneMethylcyclohexaneME150425--3.907033333116.1429973
MG(16:0/0:0/0:0)MG 16:0/0:0/0:0ME150495--0.851766667372.3095267
MGDG(16:0/18:2(9Z,12Z))MGDG 16:0/18:2(9Z,12Z)*ME150672--4.654216667719.5492731
MGDG(16:0/18:2(9Z,12Z)).1MGDG 16:0/18:2(9Z,12Z)*ME150673--4.411066667719.5474751
MGDG(18:2(9Z,12Z)/18:2(9Z,12Z))MGDG 18:2(9Z,12Z)/18:2(9Z,12Z)*ME150741--4.643583333779.5697669
MGDG(18:2(9Z,12Z)/18:2(9Z,12Z)).1MGDG 18:2(9Z,12Z)/18:2(9Z,12Z)*ME150795--2.8572820.5917974
MGDG(18:2(9Z,12Z)/18:2(9Z,12Z)).2MGDG 18:2(9Z,12Z)/18:2(9Z,12Z)*ME150796--2.7734820.5897168
MGDG(18:3(9Z,12Z,15Z)/16:3(7Z,10Z,13Z))MGDG 18:3(9Z,12Z,15Z)/16:3(7Z,10Z,13Z)*ME150728--3.277366667769.482496
MGDG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))MGDG 18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)*ME150760--3.61375790.5462726
MGDG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)).1MGDG 18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)*ME150790--3.1412814.543697
MGDG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))MGDG 20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)*ME150773--3.582316667799.5340504
N-(3E-hexadecenoyl)-deoxysphing-4-enine-1-sulfonat...-ME150616--2.71055641.4939276
N-5Z,8Z,11Z,14Z-eicosatetraenoyl-N-diethyl-ethylen...-ME150515--4.824233333425.3489666
NeuAcalpha2-3Galbeta-Cer(d18:1/16:0)-ME150898--1.26145991.6716736
NeuAcalpha2-3Galbeta-Cer(d18:1/18:0)-ME150907--3.4030666671036.725733
NeuAcalpha2-3Galbeta-Cer(d18:1/18:0).1-ME150908--1.24051041.682387
NeuAcalpha2-3Galbeta-Cer(d18:1/20:0)-ME150910--1.713051069.715951
N-oleoyl GABAN-Oleoyl GABAME150498--3.225385.341508
N-palmitoyl glycineN-Palmitoyl glycineME150487--4.717966667355.295988
N-palmitoyl glycine.1N-Palmitoyl glycineME150488--4.9835355.2957129
N-palmitoyl glycine.2N-Palmitoyl glycineME150489--4.643583333355.2946287
N-stearoyl phenylalanineN-Stearoyl phenylalanineME150526--4.59045473.3719145
octane-1,2-diolOctane-1,2-diolME150424--2.783866667111.1162836
Oleyl behenateOleyl behenateME150602--4.824233333613.5873889
Oleyl myristateOleyl myristateME150552--4.1911517.4401756
omega-hydroxy behenic-ME150475--3.424066667321.315545
PA(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PA 12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150638--0.400333333665.4177875
PA(16:0/16:1(9Z))PA 16:0/16:1(9Z)*ME150619--4.887983333647.4648423
PA(16:0/20:2(11Z,14Z))PA 16:0/20:2(11Z,14Z)*ME150678--3.518516667723.4954204
PA(18:0/20:5(5Z,8Z,11Z,14Z,17Z))PA 18:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME150698--3.319266667745.4797312
PA(18:1(9Z)/0:0)PA 18:1(9Z)/0:0ME150529--1.26145478.3297516
PA(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))PA 18:1(9Z)/22:4(7Z,10Z,13Z,16Z)*ME150733--3.561366667773.5120969
PA(18:2(9Z,12Z)/18:0)PA 18:2(9Z,12Z)/18:0*ME150639--1.492116667665.490371
PA(18:3(9Z,12Z,15Z)/15:0)PA 18:3(9Z,12Z,15Z)/15:0*ME150610--2.930566667621.4258893
PA(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))PA 18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)*ME150715--3.16215759.4349203
PA(19:1(9Z)/0:0)PA 19:1(9Z)/0:0ME150524--0.8937492.3069293
PA(19:1(9Z)/0:0).1PA 19:1(9Z)/0:0ME150538--0.904166667468.308863
PA(20:0/20:3(8Z,11Z,14Z))PA 20:0/20:3(8Z,11Z,14Z)*ME150670--3.109783333719.5410523
PA(20:0/20:3(8Z,11Z,14Z)).1PA 20:0/20:3(8Z,11Z,14Z)*ME150671--3.917583333719.5376507
PA(20:1(11Z)/0:0)PA 20:1(11Z)/0:0ME150547--1.71305506.3610263
PA(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PA 20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150738--3.645166667775.5305645
PA(20:2(11Z,14Z)/18:0)PA 20:2(11Z,14Z)/18:0*ME150656--2.342733333693.5209376
PA(20:3(8Z,11Z,14Z)/0:0)PA 20:3(8Z,11Z,14Z)/0:0*ME150542--1.0729499.2228963
PA(20:3(8Z,11Z,14Z)/0:0).1PA 20:3(8Z,11Z,14Z)/0:0*ME150543--1.0729502.3385702
PA(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))PA 20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)*ME150692--2.762916667737.4123704
PA(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,...PA 20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150724--2.478966667767.4644787
PA(21:0/0:0)LPA 21:0/0:0*ME150544--0.851766667503.3108538
PA(22:0/22:1(11Z))PA 22:0/22:1(11Z)*ME150833--3.749916667853.6083661
PA(22:1(11Z)/22:0)PA 22:1(11Z)/22:0*ME150820--3.298316667837.6337512
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0)PA 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0*ME150668--2.7734717.3891836
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)PA 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0*ME150675--3.3507721.4800803
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)PA 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0*ME150756--3.4136787.4658044
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)...PA 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)*ME150727--3.172633333769.4768592
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,...PA 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)*ME150753--0.421283333784.4887516
PalmitoleamidePalmitoleamideME150456--2.783866667254.2478071
Palmitoleyl palmitatePalmitoleyl palmitateME150531--4.53695479.4804394
PA(O-16:0/19:0)PA O-16:0/19:0ME150644--4.63295677.5509324
PA(O-16:0/20:2(11Z,14Z))PA O-16:0/20:2(11Z,14Z)*ME150627--3.791816667651.5132008
PA(O-16:0/O-16:0)-ME150592--3.539466667585.5008421
PA(O-18:0/13:0)PA O-18:0/13:0ME150591--3.949585.4613253
PA(O-18:0/15:0)PA O-18:0/15:0ME150653--4.180616667690.5449831
PA(O-18:0/16:0)PA O-18:0/16:0ME150637--4.569333333663.5338502
PA(O-20:0/22:4(7Z,10Z,13Z,16Z))PA O-20:0/22:4(7Z,10Z,13Z,16Z)*ME150684--4.834866667731.5761349
PA(P-16:0/17:0)PA P-16:0/17:0ME150620--2.595333333647.5017558
PA(P-20:0/19:1(9Z))PA P-20:0/19:1(9Z)ME150702--4.452983333751.5613734
PA(P-20:0/20:2(11Z,14Z))PA P-20:0/20:2(11Z,14Z)*ME150663--3.486916667705.5555487
PA(P-20:0/22:4(7Z,10Z,13Z,16Z))PA P-20:0/22:4(7Z,10Z,13Z,16Z)*ME150682--2.616266667729.5595855
PC(12:0/20:0)PC 12:0/20:0ME150690--3.47645734.5695403
PC(14:0/18:1(11Z))PC 14:0/18:1(11Z)ME150687--3.277366667732.553928
PC(15:0/0:0)LPC 15:0/0:0ME150534--1.062433333482.3249794
PC(16:0/0:0)LPC 16:0/0:0ME150541--1.26145496.341761
PC(16:0/18:1(9E))PC 16:0/18:1(9E)*ME150718--3.518516667760.5865758
PC(16:0/18:2(9Z,12Z))PC 16:0/18:2(9Z,12Z)*ME150742--3.3507780.5521644
PC(16:0/18:2(9Z,12Z)).1PC 16:0/18:2(9Z,12Z)*ME150767--3.3507796.5281499
PC(16:0/18:3(6Z,9Z,12Z))PC 16:0/18:3(6Z,9Z,12Z)*ME150711--3.16215756.5543019
PC(16:0/20:1(11Z))PC 16:0/20:1(11Z)*ME150758--3.728966667788.6169949
PC(16:0/20:4(5E,8E,11E,14E))PC 16:0/20:4(5E,8E,11E,14E)*ME150749--3.319266667782.5713181
PC(16:0/9:0(CHO))-ME150624--1.5664650.4384939
PC(16:1(9E)/0:0)PC 16:1(9E)/0:0*ME150539--0.98815494.3244751
PC(18:0/0:0)LPC 18:0/0:0ME150559--1.71305524.3726077
PC(18:0/18:2(9Z,12Z))PC 18:0/18:2(9Z,12Z)*ME150755--3.582316667786.6041007
PC(18:0/18:3(6Z,9Z,12Z))PC 18:0/18:3(6Z,9Z,12Z)*ME150779--3.4136806.5673367
PC(18:0/20:2(5Z,11Z))PC 18:0/20:2(5Z,11Z)*ME150791--3.760383333814.6348588
PC(18:0/20:5(5Z,8Z,11Z,14Z,17Z))PC 18:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME150782--3.361166667808.5851944
PC(18:1(6Z)/0:0)PC 18:1(6Z)/0:0*ME150556--1.355716667522.3566883
PC(18:1(9Z)/18:3(6Z,9Z,12Z))PC 18:1(9Z)/18:3(6Z,9Z,12Z)*ME150778--3.3088804.5517994
PC(18:2(2Z,4Z)/18:2(2Z,4Z))PC 18:2(2Z,4Z)/18:2(2Z,4Z)*ME150748--3.193583333782.5691669
PC(18:2(9Z,12Z)/0:0)PC 18:2(9Z,12Z)/0:0*ME150553--1.0729520.3409983
PC(19:1(9Z)/18:3(6Z,9Z,12Z))PC 19:1(9Z)/18:3(6Z,9Z,12Z)*ME150794--3.4555818.5676298
PC(20:0/20:1(13Z))PC 20:0/20:1(13Z)*ME150825--1.6083844.6823652
PC(20:1(11Z)/0:0)PC 20:1(11Z)/0:0*ME150576--1.355716667572.3708111
PC(20:1(11Z)/0:0).1PC 20:1(11Z)/0:0*ME150585--1.7759550.3874955
PC(20:3(8Z,11Z,14Z)/20:0)PC 20:3(8Z,11Z,14Z)/20:0*ME150852--3.728966667878.6014531
PC(20:4(5Z,8Z,11Z,14Z)/0:0)PC 20:4(5Z,8Z,11Z,14Z)/0:0*ME150571--1.05195544.3404885
PC(20:4(5Z,8Z,11Z,14Z)/18:0)PC 20:4(5Z,8Z,11Z,14Z)/18:0*ME150785--3.561366667810.6006955
PC(20:4(5Z,8Z,11Z,14Z)/21:0)PC 20:4(5Z,8Z,11Z,14Z)/21:0*ME150793--3.01455816.6245973
PC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)PC 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*ME150570--0.872716667542.3240328
PC(22:0/0:0)LPC 22:0/0:0ME150611--3.319266667621.4606389
PC(22:4(7Z,10Z,13Z,16Z)/18:0)PC 22:4(7Z,10Z,13Z,16Z)/18:0*ME150821--3.708016667838.6295776
PC(22:6(4E,7E,10E,13E,16E,19E)/16:0)PC 22:6(4E,7E,10E,13E,16E,19E)/16:0*ME150780--3.2669806.5693972
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)PC 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*ME150584--1.0091568.3397692
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)PC 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0*ME150840--2.7315862.6303374
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))PC 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)*ME150830--2.972466667850.6088947
PC(24:0/0:0)LPC 24:0/0:0ME150623--4.12825649.490954
PC(9:0/18:0)PC 9:0/18:0ME150658--2.679116667702.4440555
PC(O-14:0/O-14:0)-ME150625--3.812766667650.5510817
PC(O-16:0/0:0)PC O-16:0/0:0*ME150535--1.471482.3609851
PC(O-16:0/1:0)PC O-16:0/1:0*ME150549--1.4291510.3560411
PC(O-16:0/18:1(9Z))PC O-16:0/18:1(9Z)ME150701--3.65565746.6034517
PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PC O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150762--3.47645792.5873437
PC(O-16:1(9Z)/0:0)PC O-16:1(9Z)/0:0*ME150532--1.439566667480.3447966
PC(O-18:0/0:0)PC O-18:0/0:0*ME150550--1.933083333510.3915048
PC(O-18:0/14:0)PC O-18:0/14:0ME150721--4.654216667761.6159871
PC(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))PC O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME150763--3.6766794.6050931
PC(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)).1PC O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME150764--4.033794.6063219
PC(O-18:0/22:5(4Z,7Z,10Z,13Z,16Z))PC O-18:0/22:5(4Z,7Z,10Z,13Z,16Z)*ME150824--2.7315844.6217306
PC(O-18:0/O-2:1(1E))-ME150588--3.666116667577.4321329
PC(O-18:1(9Z)/O-16:0)-ME150688--4.201566667732.6230658
PC(O-20:0/22:2(13Z,16Z))PC O-20:0/22:2(13Z,16Z)*ME150853--4.075866667878.6979315
PC(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PC O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150844--4.686083333870.7311685
PC(O-6:0/O-6:0)-ME150505--3.561366667390.2784649
PC(P-16:0/20:2(11Z,14Z))PC P-16:0/20:2(11Z,14Z)*ME150730--3.69755770.6037215
PC(P-16:0/20:3(8Z,11Z,14Z))PC P-16:0/20:3(8Z,11Z,14Z)*ME150725--3.47645768.5880234
PC(P-16:0/20:4(5Z,8Z,11Z,14Z))PC P-16:0/20:4(5Z,8Z,11Z,14Z)*ME150722--3.4555766.5728216
PC(P-18:0/20:3(8Z,11Z,14Z))PC P-18:0/20:3(8Z,11Z,14Z)*ME150769--3.708016667796.6195983
PC(P-19:1(12Z)/0:0)PC P-19:1(12Z)/0:0*ME150568--4.494883333537.4013229
PC(P-20:0/22:2(13Z,16Z))PC P-20:0/22:2(13Z,16Z)*ME150849--3.938533333876.6842281
PC(P-20:0/22:4(7Z,10Z,13Z,16Z))PC P-20:0/22:4(7Z,10Z,13Z,16Z)*ME150831--3.896566667850.6708266
PC(P-20:0/22:4(7Z,10Z,13Z,16Z)).1PC P-20:0/22:4(7Z,10Z,13Z,16Z)*ME150861--4.7286891.6909457
PE(15:0/22:4(7Z,10Z,13Z,16Z))PE 15:0/22:4(7Z,10Z,13Z,16Z)*ME150708--3.067883333754.5383707
PE(17:2(9Z,12Z)/21:0)PE 17:2(9Z,12Z)/21:0*ME150732--3.4555772.585689
PE(18:0/14:0)PE 18:0/14:0ME150689--4.075866667733.5510918
PE(18:0/20:4(5Z,8Z,11Z,13E)(15Ke))-ME150803--2.83625824.5817233
PE(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))PE 18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)*ME150713--0.379383333758.4755792
PE(19:0/17:1(9Z))PE 19:0/17:1(9Z)*ME150700--3.3926746.5679638
PE(19:0/20:5(5Z,8Z,11Z,14Z,17Z))PE 19:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME150743--3.16215780.5539464
PE(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))PE 20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)*ME150761--3.1412792.5552425
PE(20:3(8Z,11Z,14Z)/17:0)PE 20:3(8Z,11Z,14Z)/17:0*ME150710--2.521033333756.5532605
PE(20:3(8Z,11Z,14Z)/21:0)PE 20:3(8Z,11Z,14Z)/21:0*ME150739--3.896566667776.5927937
PE(20:5(5Z,8Z,11Z,14Z,17Z)/21:0)PE 20:5(5Z,8Z,11Z,14Z,17Z)/21:0*ME150809--2.059916667830.5639395
PE(21:0/21:0)PE 21:0/21:0ME150829--4.739216667849.7014101
PE(22:0/20:5(5Z,8Z,11Z,14Z,17Z))PE 22:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME150798--3.025016667822.6041959
PE(22:1(11Z)/16:0)PE 22:1(11Z)/16:0*ME150737--3.61375774.5997611
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0)PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0*ME150814--3.508033333834.59996
PE-NMe(20:0/20:0)PE-NMe 20:0/20:0ME150750--4.526483333782.642127
PE-NMe2(O-16:0/O-16:0)-ME150632--4.316783333656.5764291
pentadecanalPentadecanalME150455--0.663216667244.2631885
Pentadecyl palmitoleatePentadecyl palmitoleateME150545--4.033503.4221974
pentanamidePentanamideME150416--0.65275102.0910307
PE(O-16:0/20:2(11Z,14Z))PE O-16:0/20:2(11Z,14Z)*ME150704--3.739433333752.5569306
PE(O-18:0/17:0)PE O-18:0/17:0ME150674--3.624216667720.5865736
PE(O-20:0/19:0)PE O-20:0/19:0ME150695--4.1492740.6348333
PE(O-20:0/22:1(11Z))PE O-20:0/22:1(11Z)*ME150746--4.348216667780.6658258
PE(P-16:0/0:0)PE P-16:0/0:0*ME150530--0.663216667479.32441
PE(P-16:0/13:0)PE P-16:0/13:0ME150640--1.597833333672.4342256
PE(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))PE P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME150717--3.518516667760.4679924
PE(P-16:0/22:1(11Z))PE P-16:0/22:1(11Z)*ME150744--3.518516667780.5861139
PE(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PE P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150754--3.582316667786.4799772
PE(P-20:0/17:2(9Z,12Z))PE P-20:0/17:2(9Z,12Z)*ME150696--3.47645742.5742129
PG(12:0/0:0)LPG 12:0/0:0*ME150516--0.747016667429.2262914
PG(14:0/14:0)PG 14:0/14:0ME150650--1.355716667684.4812866
PG(15:0/0:0)LPG 15:0/0:0ME150537--0.65275488.3002813
PG(17:0/0:0)LPG 17:0/0:0*ME150551--0.65275516.3303697
PG(18:4(6Z,9Z,12Z,15Z)/14:0)PG 18:4(6Z,9Z,12Z,15Z)/14:0*ME150707--1.744466667753.406796
PG(20:1(11Z)/0:0)PG 20:1(11Z)/0:0*ME150580--0.421283333556.3608631
PG(20:2(11Z,14Z)/15:0)PG 20:2(11Z,14Z)/15:0*ME150720--2.62675761.5294084
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)PG 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*ME150562--1.54545531.274216
PG(21:0/20:3(8Z,11Z,14Z))PG 21:0/20:3(8Z,11Z,14Z)*ME150855--2.426583333881.5678328
PG(22:1(11Z)/20:0)PG 22:1(11Z)/20:0*ME150870--3.5928902.680632
PG(22:2(13Z,16Z)/19:0)PG 22:2(13Z,16Z)/19:0*ME150857--3.07835886.6496683
PGE1-EAPGE1-EAME150511--0.65275415.315611
PGE2alpha dimethyl aminePGE2alpha dimethyl amineME150499--3.812766667385.3438269
PGF2alpha isopropyl esterPGF2alpha isopropyl esterME150491--3.528983333361.272291
PGF2alpha isopropyl ester.1PGF2alpha isopropyl esterME150492--3.739433333361.2719996
PGF2alpha isopropyl ester.2PGF2alpha isopropyl esterME150507--1.250966667397.2945655
PGF2alpha methyl etherPGF2alpha methyl etherME150474--4.845483333319.2627981
PG(P-16:0/16:1(9Z))PG P-16:0/16:1(9Z)*ME150662--4.306316667705.5079264
PG(P-16:0/18:0)PG P-16:0/18:0ME150705--3.854666667752.5767926
Phthioceranic acid (C43)Phthioceranic acid (C43)ME150642--4.358683333673.6256461
PI(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))PI 18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)*ME150872--3.3088907.5329808
PI(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))PI 20:1(11Z)/18:4(6Z,9Z,12Z,15Z)*ME150856--0.400333333885.5495139
PI(20:2(11Z,14Z)/15:0)PI 20:2(11Z,14Z)/15:0*ME150858--2.909616667890.5738849
PI(20:2(11Z,14Z)/22:0)PI 20:2(11Z,14Z)/22:0*ME150894--3.749916667969.640525
PI(20:4(5Z,8Z,11Z,14Z)/18:0)PI 20:4(5Z,8Z,11Z,14Z)/18:0*ME150873--3.28785909.54901
PI(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)PI 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*ME150607--3.624216667619.2899841
PI(22:0/18:3(6Z,9Z,12Z))PI 22:0/18:3(6Z,9Z,12Z)*ME150889--2.87815955.5688822
PI(22:0/20:4(5Z,8Z,11Z,14Z))PI 22:0/20:4(5Z,8Z,11Z,14Z)*ME150886--3.749916667943.6284468
PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))PI 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)*ME150901--0.4317666671004.619359
PI(O-16:0/19:0)PI O-16:0/19:0ME150854--3.382116667880.6249663
PI(O-18:0/20:0)PI O-18:0/20:0ME150879--3.886083333922.6766382
PI(O-20:0/21:0)PI O-20:0/21:0ME150892--3.508033333964.7236712
PI(O-20:0/22:0)PI O-20:0/22:0ME150888--3.57185954.7336506
PI(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))PI P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME150823--0.400333333841.5233455
PI(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z))PI P-20:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME150866--3.172633333897.5864997
PIP[3](16:0/18:1(9Z))-ME150883--3.603266667934.5372092
Plakoside APlakoside AME150874--4.95175912.7629518
PS(12:0/19:0)PS 12:0/19:0ME150676--0.421283333722.4958951
PS(14:0/21:0)PS 14:0/21:0*ME150775--2.9936800.5383157
PS(18:2(9Z,12Z)/12:0)PS 18:2(9Z,12Z)/12:0*ME150697--3.20405745.4739784
PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PS 19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150846--0.400333333872.5423488
PS(19:1(9Z)/20:3(8Z,11Z,14Z))PS 19:1(9Z)/20:3(8Z,11Z,14Z)*ME150826--3.3507848.5396368
PS(20:3(8Z,11Z,14Z)/22:1(11Z))PS 20:3(8Z,11Z,14Z)/22:1(11Z)*ME150812--3.298316667832.5840923
PS(20:5(5Z,8Z,11Z,14Z,17Z)/22:0)PS 20:5(5Z,8Z,11Z,14Z,17Z)/22:0*ME150810--3.12025830.5721117
PS(21:0/0:0)LPS 21:0/0:0ME150590--3.43455585.3847351
PS(21:0/15:1(9Z))PS 21:0/15:1(9Z)*ME150808--0.400333333828.5157638
PS(21:0/18:0)PS 21:0/18:0*ME150815--3.865133333834.6205839
PS(22:1(11Z)/20:0)PS 22:1(11Z)/20:0*ME150848--3.3507874.6517698
PS(22:1(11Z)/22:2(13Z,16Z))PS 22:1(11Z)/22:2(13Z,16Z)*ME150867--3.3088898.6555624
PS(22:2(13Z,16Z)/22:0)PS 22:2(13Z,16Z)/22:0*ME150878--3.277366667922.6463054
PS(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PS 22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150832--3.130733333852.5569736
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z))PS 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)*ME150835--3.298316667854.5690528
PS(8:0/8:0)PS 8:0/8:0ME150528--1.26145476.2408741
PS(O-18:0/18:2(9Z,12Z))PS O-18:0/18:2(9Z,12Z)*ME150768--2.531516667796.5497022
PS(O-18:0/18:3(9Z,12Z,15Z))PS O-18:0/18:3(9Z,12Z,15Z)*ME150788--3.896566667813.5766868
PS(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PS O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150797--2.658166667822.5635306
PS(O-20:0/18:4(6Z,9Z,12Z,15Z))PS O-20:0/18:4(6Z,9Z,12Z,15Z)*ME150772--2.7734798.5662331
PS(O-20:0/22:2(13Z,16Z))PS O-20:0/22:2(13Z,16Z)*ME150837--2.227516667858.6622034
PS(P-16:0/12:0)PS P-16:0/12:0ME150647--3.319266667681.4809494
PS(P-16:0/14:1(9Z))PS P-16:0/14:1(9Z)ME150683--3.486916667731.4978272
PS(P-18:0/20:1(11Z))PS P-18:0/20:1(11Z)*ME150777--2.888616667802.5955759
PS(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))PS P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME150811--4.348216667832.4909701
PS(P-20:0/16:1(9Z))PS P-20:0/16:1(9Z)*ME150735--2.58485774.5653938
PS(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PS P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150827--2.972466667848.5841598
SM(d16:1/25:0)SM 16:1;O2/25:0ME150776--3.99095801.6835901
SM(d18:0/18:1(9Z))SM 18:0;O2/18:1(9Z)*ME150685--3.47645731.6063656
SM(d18:0/22:0)SM 18:0;O2/22:0ME150781--3.791816667806.7072235
SM(d18:0/24:1(15Z))SM 18:0;O2/24:1(15Z)ME150792--4.075866667815.6989657
SM(d18:1/14:0)SM 18:1;O2/14:0ME150643--2.9201675.5432532
SM(d18:1/16:0)SM 18:1;O2/16:0ME150659--3.214533333703.5753578
SM(d18:1/16:1)SM 18:1;O2/16:1ME150657--2.982933333701.5593872
SM(d18:1/20:0)SM 18:1;O2/20:0ME150716--3.708016667759.6361346
SM(d18:1/22:0)SM 18:1;O2/22:0ME150757--3.907033333787.66775
SM(d18:1/24:1(15Z))SM 18:1;O2/24:1(15Z)ME150789--3.896566667813.6848255
SM(d18:2/15:0)SM 18:2;O2/15:0ME150661--3.760383333728.5690987
SM(d18:2/15:0).1SM 18:2;O2/15:0ME150681--4.01205704.5681679
SM(d18:2/18:0)SM 18:2;O2/18:0ME150703--3.277366667751.5714816
SM(d18:2/23:0)SM 18:2;O2/23:0ME150774--3.844183333799.6682301
sn-caldarchaeo-1-phosphoethanolamine-ME150919--4.1596666671389.308074
TG(12:0/13:0/15:0)[iso6]TG 12:0/13:0/15:0*ME150669--4.53695717.5991502
TG(12:0/13:0/15:1(9Z))[iso6]TG 12:0/13:0/15:1(9Z)*ME150665--4.4425715.5854184
TG(12:0/13:0/15:1(9Z))[iso6].1TG 12:0_13:0_15:1ME150667--4.452983333710.6306566
TG(12:0/13:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]TG 12:0/13:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME150709--4.201566667755.6172592
TG(12:0/14:0/14:0)[iso3]TG 12:0/14:0/14:0ME150634--4.547433333659.5953087
TG(12:0/14:0/16:1(9Z))[iso6]TG 12:0/14:0/16:1(9Z)*ME150693--4.898616667738.6578808
TG(12:0/15:0/17:0)[iso6]TG 12:0/15:0/17:0*ME150726--4.739216667768.7068268
TG(12:0/16:1(9Z)/16:1(9Z))[iso3]TG 12:0/16:1(9Z)/16:1(9Z)*ME150729--4.579816667769.6309654
TG(12:0/16:1(9Z)/18:3(6Z,9Z,12Z))[iso6]TG 12:0/16:1(9Z)/18:3(6Z,9Z,12Z)*ME150731--4.654216667771.6483968
TG(12:0/17:0/21:0)[iso6]TG 12:0/17:0/21:0*ME150836--4.9835857.7544447
TG(12:0/17:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso...TG 12:0/17:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)*ME150850--4.622333333876.707771
TG(12:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))[iso6]TG 12:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z)*ME150842--4.569333333863.6561775
TG(12:0/19:0/19:1(9Z))[iso6]TG 12:0/19:0/19:1(9Z)*ME150845--2.9201871.7111781
TG(12:0/19:0/22:0)[iso6]TG 12:0/19:0/22:0*ME150864--4.675466667894.8458561
TG(13:0/13:0/14:0)[iso3]TG 13:0/13:0/14:0*ME150635--4.022533333659.5998717
TG(13:0/14:0/14:1(9Z))[iso6]TG 13:0/14:0/14:1(9Z)*ME150679--4.505533333724.6431301
TG(13:0/14:0/15:0)[iso6]TG 13:0/14:0/15:0*ME150699--4.63295745.6288285
TG(13:0/14:0/15:1(9Z))[iso6]TG 13:0/14:0/15:1(9Z)*ME150694--4.547433333738.6589578
TG(13:0/14:0/17:2(9Z,12Z))[iso6]TG 13:0/14:0/17:2(9Z,12Z)*ME150759--4.781733333788.6774219
TG(13:0/15:0/20:2(11Z,14Z))[iso6]TG 13:0/15:0/20:2(11Z,14Z)*ME150806--0.452716667825.6940343
TG(13:0/16:0/17:2(9Z,12Z))[iso6]TG 13:0/16:0/17:2(9Z,12Z)*ME150770--4.973033333797.6598122
TG(13:0/16:1(9Z)/16:1(9Z))[iso3]TG 13:0/16:1(9Z)/16:1(9Z)*ME150740--4.622333333778.6914503
TG(13:0/16:1(9Z)/17:1(9Z))[iso6]TG 13:0/16:1(9Z)/17:1(9Z)*ME150771--4.675466667797.6637503
TG(13:0/16:1(9Z)/20:0)[iso6]TG 13:0/16:1(9Z)/20:0*ME150819--4.877366667836.7701643
TG(13:0/18:0/20:2(11Z,14Z))[iso6]TG 13:0/18:0/20:2(11Z,14Z)*ME150784--4.601066667809.7360923
TG(13:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))[iso6]TG 13:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)*ME150734--3.812766667773.6476036
TG(14:0/14:0/16:1(9Z))[iso3]TG 14:0/14:0/16:1(9Z)*ME150723--4.654216667766.6914675
TG(14:0/16:1(9Z)/17:0)[iso6]TG 14:0/16:1(9Z)/17:0*ME150783--4.79235808.7390209
TG(14:0/16:1(9Z)/17:1(9Z))[iso6]TG 14:0/16:1(9Z)/17:1(9Z)*ME150786--4.717966667811.6786706
TG(14:0/17:0/20:0)[iso6]TG 14:0/17:0/20:0*ME150843--4.781733333866.8132417
TG(14:0/17:1(9Z)/17:1(9Z))[iso3]TG 14:0/17:1(9Z)/17:1(9Z)*ME150805--4.7711825.6936154
TG(14:0/17:1(9Z)/18:2(9Z,12Z))[iso6]TG 14:0/17:1(9Z)/18:2(9Z,12Z)*ME150813--4.74985832.7369667
TG(14:0/21:0/22:0)[iso6]TG 14:0/21:0/22:0*ME150896--4.306316667971.8398426
TG(14:1(9Z)/14:1(9Z)/14:1(9Z))TG 14:1(9Z)/14:1(9Z)/14:1(9Z)*ME150648--4.390116667681.5782198
TG(14:1(9Z)/14:1(9Z)/17:2(9Z,12Z))[iso3]TG 14:1(9Z)/14:1(9Z)/17:2(9Z,12Z)*ME150712--4.601066667757.6366823
TG(14:1(9Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[...TG 14:1(9Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150751--3.582316667783.6253926
TG(14:1(9Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6...TG 14:1(9Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150817--4.643583333835.684739
TG(14:1(9Z)/17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6...TG 14:1(9Z)/17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150807--3.6347827.6871544
TG(14:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[...TG 14:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150822--0.452716667839.6886332
TG(14:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6]TG 14:1(9Z)/18:2(9Z,12Z)/20:1(11Z)*ME150865--4.717966667896.7701464
TG(15:0/15:0/16:1(9Z))[iso3]TG 15:0/15:0/16:1(9Z)*ME150765--4.760466667794.7234077
TG(15:0/16:0/17:2(9Z,12Z))[iso6]TG 15:0/16:0/17:2(9Z,12Z)*ME150804--4.973033333825.6916671
TG(15:0/16:1(9Z)/22:1(11Z))[iso6]TG 15:0/16:1(9Z)/22:1(11Z)*ME150859--4.962383333890.8164683
TG(15:0/17:1(9Z)/15:0)TG 15:0/17:1(9Z)/15:0*ME150719--3.508033333760.7192265
TG(15:0/18:1(9Z)/18:2(9Z,12Z))[iso6]TG 15:0/18:1(9Z)/18:2(9Z,12Z)*ME150838--4.834866667860.7673406
TG(15:0/18:1(9Z)/21:0)[iso6]TG 15:0/18:1(9Z)/21:0*ME150834--4.9835853.7994658
TG(15:0/18:1(9Z)/22:1(11Z))[iso6]TG 15:0/18:1(9Z)/22:1(11Z)*ME150885--4.9835942.8485191
TG(15:0/19:0/20:3(8Z,11Z,14Z))[iso6]TG 15:0/19:0/20:3(8Z,11Z,14Z)*ME150871--4.9305902.8166793
TG(15:1(9Z)/15:1(9Z)/18:4(6Z,9Z,12Z,15Z))[iso3]TG 15:1(9Z)/15:1(9Z)/18:4(6Z,9Z,12Z,15Z)*ME150766--4.601066667795.6488614
TG(15:1(9Z)/16:1(9Z)/17:1(9Z))[iso6]TG 15:1(9Z)/16:1(9Z)/17:1(9Z)*ME150801--4.696716667823.6809522
TG(15:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z...TG 15:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)*ME150847--2.206566667872.6770715
TG(16:0/16:0/16:1(9Z))[iso3]TG 16:0/16:0/16:1(9Z)ME150799--4.845483333822.7546454
TG(16:0/16:0/22:3(10Z,13Z,16Z))[iso3]TG 16:0/16:0/22:3(10Z,13Z,16Z)*ME150880--4.898616667926.8166521
TG(16:0/16:1(9Z)/17:1(9Z))[iso6]TG 16:0/16:1(9Z)/17:1(9Z)*ME150816--4.8136834.7549687
TG(16:0/17:0/18:2(9Z,12Z))[iso6]TG 16:0/17:0/18:2(9Z,12Z)*ME150841--4.887983333862.7858031
TG(16:0/18:0/18:2(9Z,12Z))[iso6]TG 16:0/18:0/18:2(9Z,12Z)*ME150851--4.919866667876.8014508
TG(16:0/18:0/20:2(11Z,14Z))[iso6]TG 16:0/18:0/20:2(11Z,14Z)*ME150882--4.95175928.8342304
TG(16:0/18:1(9Z)/19:1(9Z))[iso6]TG 16:0/18:1(9Z)/19:1(9Z)*ME150875--4.919866667914.8137699
TG(16:0/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6]TG 16:0/18:1(9Z)/20:3(8Z,11Z,14Z)*ME150868--4.866733333900.8005577
TG(16:0/19:1(9Z)/22:0)[iso6]TG 16:0/19:1(9Z)/22:0*ME150897--4.877366667972.899657
TG(16:1(9Z)/16:1(9Z)/18:0)[iso3]TG 16:1(9Z)/16:1(9Z)/18:0*ME150828--4.856116667848.7700418
TG(16:1(9Z)/17:0/20:0)[iso6]TG 16:1(9Z)/17:0/20:0*ME150862--4.8136892.8296005
TG(17:1(9Z)/18:0/18:2(9Z,12Z))[iso6]TG 17:1(9Z)/18:0/18:2(9Z,12Z)*ME150863--4.919866667893.7604815
TG(17:1(9Z)/20:2(11Z,14Z)/22:0)[iso6]TG 17:1(9Z)/20:2(11Z,14Z)/22:0*ME150877--4.834866667919.848775
TG(17:1(9Z)/22:0/22:3(10Z,13Z,16Z))[iso6]TG 17:1(9Z)/22:0/22:3(10Z,13Z,16Z)*ME150887--4.802983333945.8586086
TG(17:1(9Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)...TG 17:1(9Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)*ME150884--4.4425937.8020819
TG(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)[iso6...TG 17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:0*ME150895--3.067883333969.7886485
TG(18:0/18:3(9Z,12Z,15Z)/19:0)[iso6]TG 18:0/18:3(9Z,12Z,15Z)/19:0*ME150876--4.973033333916.8325499
TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z...TG 18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)*ME150860--3.256416667891.6443558
TG(19:0/20:0/22:1(11Z))[iso6]TG 19:0/20:0/22:1(11Z)*ME150905--4.4739333331028.954441
TG(19:0/22:3(10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))[is...TG 19:0/22:3(10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)*ME150893--3.718483333967.8508305
TG(19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/21:0)[iso6]TG 19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/21:0*ME150881--3.61375927.8168606
TG(19:1(9Z)/22:1(11Z)/22:1(11Z))[iso3]TG 19:1(9Z)/22:1(11Z)/22:1(11Z)*ME150906--4.98351028.958212
TG(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z...TG 19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME150891--3.886083333955.752293
TG(20:3(8Z,11Z,14Z)/21:0/22:5(7Z,10Z,13Z,16Z,19Z))...TG 20:3(8Z,11Z,14Z)/21:0/22:5(7Z,10Z,13Z,16Z,19Z)*ME150903--4.3586833331018.876285
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,...TG 20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)*ME150902--4.3167833331017.767867
TG(21:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))...TG 21:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)*ME150899--4.022533333993.8678256
Trilauroyl-glycerolTG 14:0/14:0/14:0ME150645--4.117766667680.5810858
Tuberculostearic acidTuberculostearic acidME150473--0.904166667316.3220439
Ustilagic acidUstilagic acidME150800--0.715583333823.3762739


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