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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
10Z-Tricosene-ME41705213909773-10.2642537357.4204887
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-oct...-ME41710824778510-15.36962499603.5339742
11-cis-Retinol11-cis-RetinolME41718052924956C0089915.58874923287.236884
12-[3]-ladderane-dodecanoic acid-ME41701442607295-15.60911507395.3632348
12beta-hydroxy-24-norcholesta-1_4_22E-trien-3-one3-Deoxyvitamin D3ME41715124779628-14.23770337417.3478221
1_2-dioctanoyl-1_2_6-hexanetriol-ME416950--9.662304438421.3637258
1_2-dioctanoyl-3-methyl-1_2_3-butanetriol-ME416966--6.306839283407.3479352
12-OPDA-ME4170445280411C012267.000683322327.2640148
14'-apo-beta-Carotenal14'-apo-beta-CarotenalME4171815280992C0673412.26852204311.2368852
1-4-beta-D-Glucan1,4-beta-D-GlucanME41700153477911C0076019.05243973537.1661282
14Z-Tricosene-10-one-ME41701615730840-14.67209181371.3996519
15-HETE-DA-ME41701053477517-12.20405764456.3108105
17alpha-Hydroxypregnenolone17alpha-HydroxypregnenoloneME4171829547684C051388.178844458333.2422327
17-Propyl-5alpha-androst-2-en-17beta-ol-ME416953247835C1493312.30087034351.336158
1-dimethylamino-9S_11R_15S-trihydroxy-5Z_13E-prost...PGE2alpha dimethyl amineME4170875283101-9.615665193368.3162373
1-Dodecanoyl-sn-glycerol-ME417105656773C138545.937255938275.2216725
1-eicosanoyl-(1-cyano-2-methylprop-2-en-1-ol)-ME41702824778484-15.57668444392.3520777
1-(O-alpha-D-glucopyranosyl)-(3R_29S_31R)-dotriaco...-ME41704742607351-14.45107046677.557696
1-O-Octadec-9-enyl glycerol-ME4169305282282C1386012.35632069343.3203553
1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glyc...-ME41712244575057-12.11288124727.58561
20:2(5Z_9Z)(11Me_15Me_19Me)-ME41712552929597-11.61288886351.3254142
22alpha-Hydroxy-campest-4-en-3-one-ME41699623724588C1579610.73089824415.3569669
2_3-Dihydroxycyclopentaneundecanoic acid-ME416962243756C149876.86804483321.2747161
24:3(15Z_18Z_21Z)-ME41704852921854-13.04238378397.3787995
(25S)-5alpha-cholestan-3beta_6alpha_7beta_8beta_15...5alpha-Androstane-3beta,17beta-diolME417146242332-6.184248545519.4004893
26:6(8Z_11Z_14Z_17Z_20Z_23Z)-ME41702552921813-15.43693258419.3631346
2_6_8_12-Tetramethyl-2_4-tridecadien-1-ol-ME41701744256517-9.402700357287.3054721
2-heneicosanone-ME416947529805-11.67444161311.3307728
2-HydroxylauroylcarnitineCAR 12:0;OHME416938--10.36908101360.2745506
2-Hydroxynonadecanoic acid2-Hydroxynonadecanoic acidME4171835282916-6.567604088349.3423409
2-Methoxyhexadecanoic acid2-Methoxyhexadecanoic acidME417184656825C139478.249884813287.2580451
2S_3R-Didecanoyl-docosane-2_3-diol2S,3R-Didecanoyl-docosane-2,3-diolME4170325388883C1382212.09908008651.6268577
3_5_7-Trimethyl-2E_4E_6E_8E-decatetraene-ME41705314656044-12.36127586177.1637909
3_5-Di-O-methyl-8-prenylafzelechin-4beta-ol-ME41712344575059-2.537914457421.2331257
3_ 5-Tetradecadiencarnitine-ME416979--8.195036327368.2797135
3_7_11_15_19-Pentamethyleicosa-2E_6E_10E_14E_18-pe...-ME4170196439529-13.34576616393.3838229
3_7_11_15-Tetramethyl-6_10_14-hexadecatrien-1-ol-ME4170115365870-11.08244077327.3368698
3_7_11-Trimethyl-6E_10-dodecadien-1-ol-ME4170355280341-8.262582555259.2743366
3_7-Dimethyl-2E_6E-decadien-1_10-dioic acid-ME41708314216440-6.95918836227.1277121
3alpha-Hydroxy-5beta-pregnane-20-one3alpha-Hydroxy-5beta-pregnane-20-oneME41718552931131C0548012.36334968353.3161168
3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11_20-dione-ME416935248263C1501314.09949534386.3056041
3 beta_7 alpha-Dihydroxy-5-cholestenoate3beta,7alpha-Dihydroxy-5-cholestenoic acidME4170063081084C1733514.3916841433.3315038
3-Dehydro-2-deoxyecdysone-ME41700015251159C164975.327637737447.3104217
3-Dehydroteasterone3-DehydroteasteroneME41718623724584C1579215.37588478447.3469088
3-Hydroxy-11Z-octadecenoylcarnitine-ME416986--6.193880302442.352032
3-Hydroxy-5_ 8-tetradecadiencarnitine-ME416941--10.4535189384.2747403
3-Hydroxyhexdecanedioyl-CoA-ME416992--23.52961111086.377292
3-Hydroxy-palmitic acid methyl esterCyclopamineME416945103553C118494.921061102321.3112337
3-Keto-4-methylzymosterol-ME41700523724597C1581615.10453423397.3463183
3-Ketosphingosine3-KetosphingosineME4171879839212C0612110.42867708298.2741374
3-Methoxy-5_10-seco-5_19-cycloandrosta-1(10)_2_4-t...-ME41696311954105C151143.443463765299.2005211
3-O-(6'-O-(11Z-eicosenoyl)-beta-D-glucopyranosyl)-...-ME417177--22.06776858841.6914921
3-O-(6'-O-(13Z_16Z_19Z-docosatrienoyl)-beta-D-gluc...-ME417178--21.85315047865.6922641
3-O-(6'-O-(13Z_16Z_19Z-docosatrienoyl)-beta-D-gluc...-ME417174--21.8773331891.7071248
3-O-(6'-O-(13Z_16Z_19Z-docosatrienoyl)-beta-D-gluc...-ME417169--21.96159805927.7782098
3-O-(6'-O-(13Z_16Z-docosadienoyl)-beta-D-glucopyra...-ME417175--22.2628213895.7385694
3-O-(6'-O-(13Z-docosenoyl)-beta-D-glucopyranosyl)-...-ME417176--22.2528157869.722862
3-O-(6'-O-(7Z-hexadecenoyl)-beta-D-glucopyranosyl)...-ME417179--13.56849219785.6271642
3-O-(6'-O-docosanoyl-beta-D-glucopyranosyl)-choles...-ME417173--22.15333727905.7928207
3-O-(6'-O-docosanoyl-beta-D-glucopyranosyl)-stigma...-ME417172--22.37881242897.7540003
3-O-(6'-O-docosanoyl-beta-D-glucopyranosyl)-stigma...-ME417171--22.30331013933.8235837
3-O-(beta-D-glucopyranosyl)-campest-5-en-3beta-ol-ME417170--10.95618518597.4834013
3-O-Sulfogalactosylceramide(d18-ME41712852929812C0612514.83284912808.5626488
3-tert-Butyl-5-methylcatechol3-tert-Butyl-5-methylcatecholME41718866095C0392912.40455374181.1222907
4_8-Dimethyl-1_3E_7-nonatriene-ME4170736427110-12.40439489151.1481544
4-8dimethylnonanoylcarnitine-ME41700453477801-5.746644072330.2636343
4a-carboxy-4ß-methyl-5a-cholesta-8-en-3ß-ol-ME416934--13.8535104445.3681319
4a-carboxy-5a-cholesta-8-en-3ß-ol-ME416931--13.73679261431.35265
4a-formyl-4ß-methyl-5a-cholesta-8-en-3ß-ol-ME416957--14.50301667429.37289
4a-formyl-5a-cholesta-8-en-3ß-ol-ME416984--13.76593485415.3577562
4a-hydroxymethyl-4ß-methyl-5a-cholesta-8_24-dien-...-ME416939--15.20439955429.3727728
4-Dodecylphenol4-DodecylphenolME41718966030C1424512.31519039263.237041
4-Heptyloxybenzoic acid-ME41695985154C142746.995654563237.1484119
4-Hexyloxyphenol-ME41695229354C1430512.38357892195.1379457
5_6_7_8-Tetrahydro-2-naphthol-ME41694314305C143099.891596932149.0959993
5alpha_17alpha-Pregn-2-en-20-yn-17-ol acetate-ME416969159358C151868.979064715341.2473593
5beta-Estrane-3alpha_17beta-diol-ME416944255697C1520121.85932963279.2318792
5beta-Pregnane-3_20-dione5beta-Pregnane-3,20-dioneME41715052931337C054798.601899305317.2476121
5-(Heptadec-12-enyl)resorcinol-ME4169335281859C1080213.86809962381.3476228
5-O-Methylembelin5-O-MethylembelinME417190171489C103734.26540034309.2060348
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1_2_...-ME416951162349C048754.505000728294.2061444
6-[3]-Ladderane-1-hexanol6-[3]-Ladderane-1-hexanolME41719110244470-8.910034112263.2369468
6-[5]-ladderane-1-hexanol-ME41706311777410-7.970885542261.2213058
6Z_9Z-Eicosadien-11-ol6Z,9Z-Eicosadien-11-olME41701556935897-12.22242038329.3519732
6Z_9Z-Heneicosadien-11R-ol-ME41701256935898-12.42357637343.3686242
6Z_9Z-Heneicosadien-11S-ol-ME41703856935899-13.42176265343.3685587
6Z_9Z-Nonadecadien-3-one-ME41701313671273-10.46474743313.321557
6Z-Heneicosen-11-ol-ME41709713883615-6.199517105345.3837159
7_10_13_16-Docosatetraenoylethanolamine-ME4169375282273C1382914.46427722376.3216044
7_8-Dihydromethanopterin-ME41715721636156C0592720.62154988775.2540498
7Z-Octadecene-ME4170185352242-8.834070587287.3419586
7Z-Tricosen-11-one-ME41702614680474-14.0993844371.3997603
8E-Heneicosene-ME41708522171964-8.701100418329.3889957
8Z-Heptadecene-ME4170375352243-7.402533333273.3263358
9_12_15-Octadecatrien-1-ol-ME4170655367327-13.40080524265.2526747
9_12-Hexadecadienoylcarnitine-ME416961--8.944743732396.3109888
9-Hexadecenoylcholine-ME416936--14.16826807340.3213058
(9S_10S)-9_10-Dihydroxyoctadecanoate-ME41698212235230C159888.310503303351.3216543
all-trans-13_14-Dihydroretinol-ME41715652931328C1549213.22645043289.2525666
alpha-Curcumene-ME416965442360C0964912.36405036203.179434
alpha-Linolenoyl-EAalpha-Linolenoyl-EAME417192--10.50957673322.274107
alpha-Linoleoylcholinealpha-LinoleoylcholineME417193--14.96675458366.3368939
alpha-Tocopherolalpha-TocopherolME41719414985C0247711.40469225431.3893114
alpha-Tocotrienolalpha-TocotrienolME4171955282347C1415314.0150539459.3949414
Anacardic acidAnacardic acidME417196167551C107599.87429361383.3273078
Androstane-3_17-diol dipropionate-ME416927134572C1462412.8820211405.3004066
AndrosteroneAndrosteroneME41719752931135C005237.919281445291.231671
anhydroretinol-ME4169855287678-9.46236019269.2265572
Antibiotic TA-ME4169329960754C1575610.67839947624.4479458
ApoatropineApoatropineME41719864695C108435.299505398272.1644898
Arachidonoyl-EAArachidonoyl-EAME4171995281969C1169511.05368416348.2895092
Arachidonoyl Serotonin-ME41700710027372-15.75790458463.3318826
Aristolochene-ME416998656496C0200412.39071484205.1950022
AuricularineAuricularineME417200441990C0904314.02786456495.3477423
Bakkenolide ABakkenolide AME417201442173C0935012.39748519235.1694003
Barringtogenol CTheasapogenol BME416987185465C0893110.45334963491.3719538
BehenoylglycineBehenoylglycineME417202--11.26847071398.3628797
beta-Estradiolbeta-EstradiolME417203440700C0095112.22720739273.1850526
beta-Tocotrienol-ME4169675282348C1415413.38595079445.3789115
bis(2-Ethylhexyl)phthalic acidbis(2-Ethylhexyl)phthalic acidME4172048343C0369012.36010082391.2841386
Buddledin ABuddledin AME4172055281514C096238.186595922277.1798321
BurseranBurseranME417206442832C105473.828537903421.2333619
C17 SphingosineC17 SphingosineME41720752931147-5.192229253286.2741426
CalcimycinCalcimycinME41720840486C113097.162000528524.2751609
Capsidiol-ME416997161937C0962712.38211082237.1849004
CAR 12:0CAR 12:0ME417209168381-7.988129953344.2796733
CAR 14:0CAR 14:0ME41721053477791-8.931267745372.3107712
CAR 14:1CAR 14:1ME41721122833575-7.276998178370.2950972
CAR 16:0CAR 16:0ME41721211953816C029906.815940337400.3421364
CAR 16:0;OHCAR 16:0;OHME417213--10.4975418416.3369729
CAR 16:1CAR 16:1ME417214--5.836877012398.3265279
CAR 16:1;OHCAR 16:1;OHME417215--6.618833738414.32151
CAR 17:0CAR 17:0ME41721653477803-8.894811882414.3575632
CAR 18:0CAR 18:0ME4172176426855-8.341113688428.3737088
CAR 18:1CAR 18:1ME417218--7.42269998426.3576547
CAR 18:2CAR 18:2ME4172196450015-10.25695728424.3422209
CAR 20:0CAR 20:0ME41722053477833-9.889552273456.4050388
CentarolCentarolME417221442349C0963212.44547519239.2005582
Cer 31:0;O2Cer 31:0;O2ME41722210913955-14.07312031498.4883246
Cer 33:0;O2Cer 33:0;O2ME41722352931137-15.83241117526.5194027
Cerotic acidCerotic acidME41722410469-13.14460775431.4570757
Cholesta-5_7-dien-3beta-ol7-DehydrocholesterolME417002439423C0116414.17441185385.3467725
Cinegalline-ME416976139031208C107622.570398325431.217393
cis-Vaccenic acidcis-Vaccenic acidME4172255282761C083677.546856272283.2631489
Coniferyl alcoholConiferyl alcoholME4172261549095C005907.01522398181.085809
Convallagenin AConvallagenin AME417227441880C088903.842292405449.3259515
[CPA(16:0)] 1-hexadecanoyl-sn-glycero-2_3-cyclic-p...-ME41711952924053-8.909199168393.24038
CTAB-ME4169465974C112758.902241355284.3311554
CyclopamineCyclopamineME417228442972C1079815.07483721412.3212211
DecanamideDecanamideME41722975347-3.853287788172.1696194
DehydrophytosphingosineDehydrophytosphingosineME4172309904001-6.191218137316.2850406
Deoxygomisin A-ME416960158103C105552.987822082435.2489323
DG(1_3-19:0)(D5)-ME416971--21.95975923692.6933679
DG(1_3-20:2)(D5)-ME416974--21.35294435712.6616821
DG(1_3-20:4)(D5)-ME416975--20.37322083704.5989228
DG 18:0/24:1(15Z)/0:0*-ME41723153478056-12.54412096741.7086305
DG(18:0e/2:0/0:0)-ME41710713341683C0382012.45882001421.4000512
DG 24:0DG 24:0ME417232151838-14.60833794457.3886293
DG 34:3DG 34:3ME417233--15.93168066591.4986691
DG 36:2DG 36:2ME4172349543716C001659.777754212655.598672
DG 37:5DG 37:5ME41723553478020-14.08881403663.5674603
DG 39:8DG 39:8ME4172369543871-14.07619949651.4985252
DG 40:0DG 40:0ME4172379543782C0016512.01758994681.6372515
DG 42:9DG 42:9ME4172389543939-9.386562882691.5298083
D-GlucosyldihydrosphingosineD-GlucosyldihydrosphingosineME417240440147C038589.746312957464.3584669
DG O-34:0DG O-34:0ME41723918603089-9.003904152617.6188845
Diethylhexyl adipateDiethylhexyl adipateME4172417641C1424012.64217821371.3159759
Dihydroceramide-ME41713542608345C121269.503371932330.300595
DimethisteroneDimethisteroneME4172426607C0762811.46920832375.3008889
di-n-Undecylamine-ME416928--11.87435602326.378128
docosanal-ME4169493017068-10.15848858359.3994043
DocosanamideDocosanamideME41724376468-13.99648259340.3573845
Dodecadienoic acidDodecadienoic acidME4172445312382-12.43378267197.1536713
DodecanamideDodecanamideME41724514256C138315.644874482200.2008705
Dodecenoic acidDodecenoic acidME4172465282729-6.865559228199.1691077
Ergosta-5_7_22_24(28)-tetraen-3beta-ol-ME41700323724485C0544014.37139491395.3310263
Erucicoyl-EAErucicoyl-EAME4172476436482-13.33762617382.3680758
[FA (13:2)] 3E_5E-tridecadienoic acid3E,5E-Tridecadienoic acidME4170555312396-10.85977437245.2224319
FA (14:1)nonanoic acid-ME4170665282854-12.39109956225.1849412
FA (14:1) nonanol-ME4170645283290-7.688628507211.2055773
[FA (15:0)] 14-methy-pentadecanoic acidIsopalmitic acidME41710036247-15.06601407257.247583
[FA (16:2)] N-hexadecyl-ethanolamine-ME4170764671C1651211.28859929300.2899006
[FA (18:2)] 3Z_13Z-octadecadien-1-ol-ME4170895283296-10.86231484267.268284
[FA (18:2)] 9Z_11E-octadecadienoic acidRumenic acidME4170365280644C0405615.73104112281.2474943
[FA (18:3)] 9_12_15-octadecatrienal-ME4170905283384-6.133308512263.2368551
[FA (18:3)] octadecatrienal-ME4170245283384-15.73932403263.2369264
[FA (18:4)] 6Z_9Z_12Z_15Z-octadecatetraenoic acidStearidonic acidME4170845312508C163005.447509653277.2162255
[FA (24:0)] tetracosanal-ME417034557529-13.76442234387.4309389
[FA (25:0)] tricosane-1_2-diol-ME41704142607324-14.57583022391.4258592
FA amino(18:0)-ME4170945312961-8.7135967300.2897279
FA hydroxy(12:1)-ME4170609543619-8.653855497179.0702371
[FA hydroxy(15:0)] 3_12-dihydroxy-pentadecanoic ac...-ME4170205312756-4.6541597275.2218481
[FA hydroxy(17:2)] 7-hydroxy-10E_16-heptadecadien-...-ME4170995312811-5.285767777313.2485785
[FA hydroxy(18:0)] 9_10-dihydroxy-octadecanoic aci...-ME417091--7.947048137351.3216023
FA hydroxy(18:1)-ME4170225312856-5.84810184295.2266487
[FA hydroxy(18:1/2:0)] 8-hydroxy-13Z-octadecene-9_...-ME4170215312839-8.714409822291.1952944
[FA hydroxy(18:1)] 9_10-dihydroxy-12Z-octadecenoic...9,10-DiHOMEME4170429966640C1482810.28382627315.253152
FA hydroxy(19:0)] nonadecanoic acid2-Hydroxynonadecanoic acidME4170085282916-10.60310264315.2892554
[FA hydroxy(20:0)] 11_12-dihydroxy-eicosanoic acid-ME4170805282932-10.06918303345.3000875
[FA hydroxy(20:0)] dihydroxy-eicosanoic acid-ME4170985282932-9.283494828379.3529558
FA hydroxy(20:1)-ME4170565282951-8.140840737361.3424281
FA hydroxy(20:3)-ME4170745283145-10.31474517323.2573257
[FA hydroxy(20:4)] eicosatetraenoyl amine-ME4170695283414-9.697912982320.2582838
[FA hydroxy(21:0)] 14-hydroxy-heneicosanoic acid-ME4170495312777-10.83745045343.3211932
[FA hydroxy(23:0)] 2-hydroxy-tricosanoic acid-ME417054152915-13.22196635371.3522531
[FA hydroxy(3:2/20:4)] N-(3-hydroxy-propyl)-5Z_8Z_...-ME4170235283403-13.07414045362.3054979
[FA hydroxy_ethyl(20:4/20:4)] N-(1_1-dimethy-2-hyd...-ME4170685283404-13.06063722376.3218359
[FA hydroxy_methoxy(18:0)] 12_13-dihydroxy-11-meth...12,13-Dihydroxy-11-methoxy-9-octadecenoic acidME4170335283026-11.25151175379.316663
Falcarindiol-ME4169775281148C0844912.29993639261.1848552
FA methyl(16:1)-ME4170515312300-8.234877377269.2474828
[FA methyl(16:1)] 14-methyl-8-hexadecen-1-ol-ME4170965283286-5.97816335289.3212435
FA methyl(17:3)-ME4170775312305-5.71876666279.2318235
[FA methyl(18:0)] 9_10-methylene-9-octadecenoic ac...-ME41704512921C083669.632008577295.2633763
FA methyl(18:2)-ME4170315283019-7.737783309.2421552
[FA methyl(18:2)] methyl 12_13-epoxy-9_15-octadeca...-ME4170615283020-9.95848782309.2421875
[FA methyl(18:2)] methyl 9_10-epoxy-12_15-octadeca...-ME4170725283019-7.228226623343.2953884
[FA methyl(21:0/2:0)] 15-methylheneicosane-1_2-dio...-ME41705842607323-13.90497629377.4103346
FA methyl (8:1)-ME4170575282652-12.39344256157.122365
FA oxo(10:0)-ME4170305282982-10.41290141187.1329475
FA oxo(14:1) cyclopentanebutanoic acid-ME4170935716900-6.235223717239.1639166
FA oxo(15:0)-ME4170405282993-6.105433327257.2110651
[FA oxo(15:0)] 11-oxo-pentadecanoic acid-ME4170435282994-15.0683707257.210903
[FA oxo(15:0)] 4-oxo-pentadecanoic acid-ME4170465282993-14.59630444257.2110078
FA oxo(17:0)-ME4170955283004-5.530597793319.2955081
FA oxo(19:0)-ME4170295312916-7.560501448313.2735808
FA oxo(20:2)-ME4170625283013-11.74798964323.2573117
FA oxo(21:0)-ME4170925312923-11.34372154375.3581048
[FA oxo(22:0)] 10-oxo-docosanoic acid-ME4170795312927-9.88120775389.3742813
FA trihydroxy(18:1)-ME4170815282962-9.640089292365.3019832
[FA trimethyl(13:0)] 4_8_12-trimethyl-tridecanoic ...-ME417039151503-16.43587947257.2474327
FucoxanthinFucoxanthinME417248-C085968.419894943693.482212
Geranylgeraniol-ME4169885281365C0909410.18696746325.3214717
[GL (18:0)] 1-octadecanoyl-rac-glycerolMG 18:0ME41710324699-9.498474822393.3686325
GlcCer 14:1;O2(4E)/20:0;OGlcCer 14:1;O2(4E)/20:0;OME417249446798-15.73721667716.5681
GlcCer 15:1;O2/22:0GlcCer 15:1;O2/22:0ME417250--20.58422965742.6194062
GlcCer 18:0;O2/18:0GlcCer 18:0;O2/18:0ME4172519925886-9.838309898730.6196758
HeneicosadienoneHeneicosadienoneME41706756936227-11.87371926341.3529659
Heneicosenoic acidHeneicosenoic acidME4172525282767-14.88529708311.2945122
Hentriacontane-14_16-dioneHentriacontane-14,16-dioneME416994441489C0837714.88887418499.5197959
HeterodendrinHeterodendrinME417253181804C083321.175183379262.1284029
Hexadecatrienoic acidHexadecatrienoic acidME4172545282809-4.688542203251.2005529
HexadecenalHexadecenalME416990-C061239.312051505239.2370107
Himbacine-ME4169545281825C1059810.46482072346.2741371
IridotrialIridotrialME41725544258297C060707.47322325183.1015746
Isococculidine-ME416991442300C095465.295990397286.1802652
Jurubine5beta-Pregnane-3,20-dioneME41715592745-10.02482136596.4160424
Khellol glucoside-ME416983441966C090113.254844595443.1659417
Lacinilene C 7-methyl etherLacinilene C 7-methyl etherME417256108125C0969512.37290708261.1485789
Latia luciferinLatia luciferinME4169815280505C022935.207113353237.1849856
LeupeptinLeupeptinME417257439527C015918.760039533427.3025574
Lignoceric acidLignoceric acidME41725811197C0832011.51611043403.4259398
LinoleamideLinoleamideME4172596435901-8.814564402280.2634949
LPC 12:0LPC 12:0ME41726052926207-3.906088893440.2771145
LPC 14:0LPC 14:0ME41726124779481C042305.506225802468.3084839
LPC 16:0LPC 16:0ME41726224779082C042307.062460033496.3398274
LPC 16:1(9Z)*LPC 16:1(9Z)ME41726353479327C042306.1246529494.324039
LPC 17:0LPC 17:0ME41726452926105C042307.847717922510.3558733
LPC 18:0LPC 18:0ME41726552924051C042308.608053747524.3713649
LPC 18:1LPC 18:1ME41726652924055-7.629896297522.3556471
LPC 20:0LPC 20:0ME41726752926213C0423010.15408333552.4027073
LPC 20:1LPC 20:1ME4172689801940C042309.044362082550.3867291
LPC 20:2LPC 20:2ME41726924779463C042308.160044555548.3715375
LPC 20:3LPC 20:3ME417270-C042307.409508718546.3554596
LPC 20:4LPC 20:4ME41727110415542C042306.833081055544.3396523
LPC 22:0LPC 22:0ME417272-C0423011.61841789580.434152
LPC 22:5LPC 22:5ME41727352925474C042307.442415848570.355776
LPC 24:0LPC 24:0ME41727424779416C0423013.23018794608.4654409
LPC 24:1(15Z)*LPC 24:1(15Z)ME41727521672239C0423011.77008204606.4498429
LPC P-16:0 or LPC O-16:1LPC P-16:0 or LPC O-16:1ME417276--7.909537578480.3445347
LPC P-18:1 or LPC O-18:2LPC P-18:1 or LPC O-18:2ME41727724779398C043179.341905925510.3919068
LPE 15:0LPE 15:0ME41727886289653-6.082413725440.2768831
LPE 16:1LPE 16:1ME41727924779504-6.043866297452.2768524
LPE 18:0LPE 18:0ME41728052926233-6.272535413482.3242498
LPE 20:2LPE 20:2ME41728124779461-6.019500797506.3244538
LPE 22:0LPE 22:0ME41728252925144-9.384589972538.3868226
LPE 22:1LPE 22:1ME417283--8.392966232536.3718569
LPE 22:4LPE 22:4ME41728452924057-8.30326435530.3233945
LPE 24:0LPE 24:0ME41728553480946-10.92205637566.4178981
MagnoshininMagnoshininME417286442896C106582.767465908449.2645004
Margaroyl-EAMargaroyl-EAME41728714455158-13.47969889314.3052718
MargaroylglycineMargaroylglycineME417288--5.692400003328.2845098
MelibioseMelibioseME417289--12.31666891201.1637918
Methyl acetyl ricinoleate-ME4169705282107C122809.03481746355.2841743
Methyl-hexadecenal-ME4171016073809-5.036885975287.3056877
MG 0:0/16:0/0:0MG 0:0/16:0/0:0ME417290123409-9.264257043365.3371585
MG 0:0/16:1(9Z)/0:0*MG 0:0/16:1(9Z)/0:0ME41729153480960-8.330318547363.3216455
MG(0:0/20:2(11Z_14Z)/0:0)MG 0:0/20:2(11Z,14Z)/0:0*ME41710953480964-11.8361315383.3158455
MG 0:0/22:0/0:0*MG 0:0/22:0/0:0*ME417292121658-14.1837115449.4314579
MG(0:0/22:2(13Z_16Z)/0:0)MG 0:0/22:2(13Z,16Z)/0:0*ME41711253480968-11.34924011411.3458663
MG(0:0/22:4(7Z_10Z_13Z_16Z)/0:0)MG 0:0/22:4(7Z,10Z,13Z,16Z)/0:0*ME41711053480969-8.168848943407.3156736
MG 14:0MG 14:0ME417293137938-7.618145933303.2529146
MG 16:1(9Z)/0:0/0:0*MG 16:1(9Z)/0:0/0:0ME41729453480976-4.318041528363.3216169
MG 18:0/0:0/0:0*MG 18:0/0:0/0:0ME41729515560610-10.81762218393.3685241
MG 20:4MG 20:4ME4172965282280C138569.08253332379.2839707
MG 22:0/0:0/0:0*MG 22:0/0:0/0:0*ME41729753480989-10.93489332449.4318578
MG O-16:0MG O-16:0ME41729872733C1385910.2422189351.3582018
MG O-18:0MG O-18:0ME4172993681C1385811.78568941379.3894775
MG(P-18:0e/0:0/0:0)-ME41711111824075-5.771744995377.373548
Militarinone AMilitarinone AME417300-C123332.579152922460.2692806
Minabeolide-2-ME41713942608349-12.00672837467.2792453
ML 236CML 236CME417301173650C140435.059751835291.1954209
Mycolipanolic acid (C27)-ME41707552921765-15.64464726461.4677291
myristic amide-ME41697369492-7.543148125228.2321826
Myxalamid S-ME41699511953999C121579.026989085420.3108966
N-(11Z_14Z-eicosadienoyl)-ethanolamineEicosadienoyl-EAME4170095283444-14.62321927352.3210436
N-(15Z-tetracosenoyl)-tetradecasphing-4-enine-1-ph...-ME417166--15.36539709715.5733566
N-(2-hydroxy-13Z-docosenoyl)-tetradecasphing-4-eni...-ME41715952931419-19.87630902580.5297693
N-(2-hydroxy-docosanoyl)-pentadecasphing-4-enine-1...-ME417163--14.66131083719.5703113
N-(2-hydroxydocosanoyl)-sphinganine-ME4171589547583-20.97942962640.6230592
N-(2-hydroxy-docosanoyl)-tetradecasphing-4-enine-1...-ME417164--13.99522873705.5546145
N-(2-hydroxy-eicosanoyl)-pentadecasphing-4-enine-1...-ME417168--13.33097751691.538985
N-(2-hydroxyeicosanoyl)-sphinganine-ME417160445354-20.28441853612.5918802
N-(2-hydroxy-hexacosanoyl)-tetradecasphing-4-enine-ME417162135398722-20.70915143638.6078154
N-(2-hydroxytridecanoyl)-4_8-sphingadienine-ME41699325246145-11.60089059510.4521019
N-(3-(15-methyl-hexadecanoyloxy)-13-methyl-tetrade...-ME417070118701009-15.53633914626.5358209
N-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-ethanola...Docosahexenoyl-EAME4171025283451-12.18089615372.2902093
N-(8Z_11Z_14Z-eicosatrienoyl)-ethanolamineDihomo-gamma-linolenoyl-EAME4170825282272C1382812.31276299350.3052667
N-(9Z_12Z-octadecadienoyl)-ethanolamineLinoleoyl-EAME4170885283446-11.1798955324.2896424
N-(9Z-octadecenoyl)-4E_6E-tetradecasphingadienine-ME417161638015-14.46807666506.4572974
Nebrosteroid MNebrosteroid MME4173025757-11.5559162447.384463
N-(eicosanoyl)-tetradecasphing-4-enine-1-phosphoet...-ME417165--13.25249789661.5283518
N-morpholine-5Z_8Z_11Z_14Z-eicosatetraenoyl amineArachidonoylmorpholineME4170715283433-12.19934283374.305539
N_N-dimethyl-9S_11R_15S-trihydroxy-5Z_13E-prostadi...-ME4170865283075-8.173999637382.2952315
N-(nonadecanoyl)-4E_6E-tetradecasphingadienine-1-p...-ME417167--11.70543936645.4969066
Noladin Ether-ME4171046483057-14.03038217365.3050584
N-Oleoyl glycineN-Oleoyl glycineME4173036436908-7.662023338340.2844265
N-Oleoyl threonineN-Oleoyl threonineME41730452922063-7.967702975384.3109551
Nonadecylic acidNonadecylic acidME41730512591C1653514.93481106333.3476596
N-Palmitoyl threonineN-Palmitoyl threonineME41730614239842-8.022293255358.2952778
N-propyl-16_16-dimethyl-5Z_8Z_11Z_14Z-docosatetrae...-ME4170505283428-15.52428847402.3726498
N-Stearoyl glycineN-Stearoyl glycineME41730795070-8.062438162342.3001597
N-UndecanoylglycineN-UndecanoylglycineME417308--10.91666705244.1907584
OblongolideOblongolideME417309176630C0951912.41609226221.1536453
OctadecadienalOctadecadienalME4170785367327-9.792240375265.2526752
Octadecatrienoic acidOctadecatrienoic acidME4173105282815-6.153245172279.2317834
OleamideOleamideME4173115283387-9.628473715282.279038
Oleic acid methyl esterMethyl oleateME4169685280590C0342510.48286813297.2788015
Oleoyl-EAOleoyl-EAME4173125283454-12.28826961326.3052239
PA 17:0/0:0*LPA 17:0/0:0*ME41731353480473-8.983517965425.265893
PA 22:0/0:0*LPA 22:0/0:0*ME41731490658453-14.90238616495.3453897
PA 39:0PA 39:0ME41731524779539-10.91297371747.5920584
PA 40:3PA 40:3ME417316--9.565423583755.560324
PalmitamidePalmitamideME41731869421-8.975302532256.2634649
PalmitoleamidePalmitoleamideME41731956936054-8.000671873254.2478558
PA P-37:0 or PA O-37:1PA P-37:0 or PA O-37:1ME41731724778527-10.35371191703.5647482
[PC(11:1/11:1)] 1-(10E-undecenoyl)-2-(10E-undeceno...-ME41711653480940-8.052959282590.3820051
PC(16:0/9:0(CHO))-ME41711346907874-7.902850018650.4393826
PC 18:1PC 18:1ME417320--8.28704169508.3767104
PC 18:2PC 18:2ME4173215283515-6.697514445520.3396713
[PC(18:3)]-ME41711852926184-5.958626263518.3242254
PC 22:1PC 22:1ME41732224779476-10.44525419578.418272
[PC(22:6)] 1-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoy...-ME41712024779465C042306.837201258568.3396145
PC 24:0PC 24:0ME417323--11.27784705622.4442984
PC 26:0PC 26:0ME417324460602-14.21218333650.4761152
PC 28:0PC 28:0ME41732552926105-14.06579325678.507186
PC 30:0PC 30:0ME41732624778639-15.47183037706.5382523
PC 30:1PC 30:1ME41732724778634-14.64026164704.5229872
PC 30:2PC 30:2ME41732852926097-13.84613243702.5076454
PC 30:3PC 30:3ME41732952925997-14.18507796700.4894018
PC 32:2PC 32:2ME41733024778764-15.23588532730.538497
PC 32:3PC 32:3ME417331--14.45515628728.5228335
PC 32:4PC 32:4ME41733252922819-14.06128518726.5068377
PC 34:3PC 34:3ME41733324779405-15.8506482756.5542169
PC 34:4PC 34:4ME41733424779275-15.4434254754.5385135
PC 36:6PC 36:6ME41733552926182-15.48178963778.5379681
PC 40:9PC 40:9ME417336114944-15.86219167828.5535851
PC 42:10PC 42:10ME41733752923327-14.08229213854.56865
PC 42:11PC 42:11ME41733852925041C0015715.67521002852.5544248
PC 44:11PC 44:11ME41733990657370-14.61721754880.5842745
PC O-20:0PC O-20:0ME41734052926129-10.8476325538.4233479
PC O-24:0PC O-24:0ME417341497299-14.0720946594.4868613
PC O-36:0PC O-36:0ME41734252925431-8.775948588810.7055285
PC P-22:3 or PC O-22:4PC P-22:3 or PC O-22:4ME417343129657-12.43554085566.4548916
PE 28:0PE 28:0ME41734452926069-14.34107881636.4607847
PE 29:0PE 29:0ME41734552922220C0035012.59405062650.4760247
PE 30:2PE 30:2ME417346--14.06332321660.4601179
PE 32:0PE 32:0ME41734752926102-14.66967957692.5231484
PE 34:1PE 34:1ME41734844256607-15.4575029718.5382789
PE 36:2PE 36:2ME41734953479625C0035015.932957744.5541669
PE 36:3PE 36:3ME417350194725-15.97846002776.5917694
Penaresidin APenaresidin AME4173545281239-10.71329705330.3004336
Pentacosene-ME41705956936072-11.78225143385.4517618
PentadecanalPentadecanalME41735517697C019484.286973702261.2900971
Pentadecanoyl-EAPentadecanoyl-EAME41735614455157-5.836052178286.2740112
PE O-16:0/13:0PE O-16:0/13:0ME41735152925150-14.97204709636.4966792
PE O-28:0PE O-28:0ME417352--14.08308635622.4807294
PE P-16:0/13:0 or PE O-16:1/13:0PE P-16:0/13:0 or PE O-16:1/13:0ME41735352926183-13.29932004634.4808623
PG 31:0PG 31:0ME417357--13.29062292724.5130347
PG 33:4PG 33:4ME41735852925133-13.29418373729.4682892
PG 36:1PG 36:1ME41735924178114-11.68262099811.6177978
PG O-32:0PG O-32:0ME41736053480667-10.48882386709.5377211
Phenylpyruvic acidPhenylpyruvic acidME417361997C001665.063529278165.0547226
PhytosphingosinePhytosphingosineME417362444795C121447.588486283318.300187
[PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...-ME417115--6.184295858599.3188979
PI 36:0PI 36:0ME41736352926302-15.35109202880.5917434
PI 37:4PI 37:4ME41736449837859-14.89230949890.5765539
PI 38:7PI 38:7ME41736552925448-14.17679298881.5160018
PI 39:4PI 39:4ME41736652926100-15.83898041935.6341563
PI 40:8PI 40:8ME41736752926174-14.75972921907.5315076
PI 40:9PI 40:9ME4173689546802-14.21000331905.5148995
PI 42:6PI 42:6ME417369154573377-15.80693277939.5953484
PleuromutilinPleuromutilinME417370442076C091697.782442707379.2485392
[PR] 13-cis-retinol-ME41712744257167-8.996331372287.2368219
Precocene 2Precocene IIME41695512565C090185.070795605221.1172789
PregnanediolPregnanediolME41737142608373C0548413.10726938355.332005
PristanalPristanalME41737214671060-4.530373587317.352642
ProsafrinineProsafrinineME4173739939965-4.153949998318.3116855
[PR] Tretinoin/All-Trans Retinoic AcidRetinoic acidME41712652924957C007773.997915158301.2161821
[PS(10:0)] 1_2-didecanoyl-sn-glycero-3-phosphoseri...-ME41711452926188-5.118273735568.3246096
PS 30:0PS 30:0ME41737424779473-10.13845746708.4816931
PS 32:1PS 32:1ME41737524779468-9.765445455734.4968247
PS 34:0PS 34:0ME41737624778525-14.35437508764.5445124
PS 36:0PS 36:0ME4173779547096-15.83737581792.5768305
PS 38:0PS 38:0ME41737824779326-12.2176597820.6056103
PS 38:1PS 38:1ME41737952925309-7.311210565818.5886344
PS 38:2PS 38:2ME41738052925310-12.48750515816.5761957
PS 40:2PS 40:2ME41738152926104-7.583301332844.6044705
PS 40:3PS 40:3ME41738252926132-7.650226423842.5885619
PS 40:4PS 40:4ME4173832733532-6.331712443840.5727237
PS 40:5PS 40:5ME41738452925140-6.337996832838.5568754
PS O-16:0/22:1(11Z)*PS O-16:0/22:1(11Z)ME41738552922130-15.49636445804.6107324
PS(O-16:0/22:2(13Z_16Z))PS O-16:0/22:2(13Z,16Z)*ME41711752925129-15.63208123802.5946957
PS O-18:0PS O-18:0ME417386--5.910663062512.3352124
PS(O-18:0/20:5(5Z_8Z_11Z_14Z_17Z))PS O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME41712111005824-11.40574239796.5484648
PS O-20:0/0:0*PS O-20:0/0:0ME41738752926101-7.44538653540.3652297
PS O-34:0PS O-34:0ME417388--15.24611356750.5645999
PS P-28:0 or PS O-28:1PS P-28:0 or PS O-28:1ME41738953480477-9.059613292664.4552936
PS P-29:0 or PS O-29:1PS P-29:0 or PS O-29:1ME41739024779393-9.48615792678.4712153
PS P-31:1 or PS O-31:2PS P-31:1 or PS O-31:2ME41739110225211-9.837097473704.485976
PS P-32:1 or PS O-32:2PS P-32:1 or PS O-32:2ME41739224778562-10.3538946718.5023838
PS P-33:0 or PS O-33:1PS P-33:0 or PS O-33:1ME41739391746197-14.24016844734.5336102
PS P-35:0 or PS O-35:1PS P-35:0 or PS O-35:1ME41739452926301-15.83324129762.565249
PS P-35:1 or PS O-35:2PS P-35:1 or PS O-35:2ME41739552926115-14.87188145760.5492793
PS P-36:0 or PS O-36:1PS P-36:0 or PS O-36:1ME417396--13.99665873776.5804771
PS P-36:1 or PS O-36:2PS P-36:1 or PS O-36:2ME41739752924234-12.39365647774.5650139
PS P-36:2 or PS O-36:3PS P-36:2 or PS O-36:3ME41739852926118-12.53714408772.5495254
PS P-38:1 or PS O-38:2PS P-38:1 or PS O-38:2ME41739952927224-14.52070956802.5964299
PS P-39:0 or PS O-39:1PS P-39:0 or PS O-39:1ME4174009547085-6.359733317852.6814633
PS P-40:3 or PS O-40:4PS P-40:3 or PS O-40:4ME41740124779479-15.90748207826.5962553
PS P-42:5 or PS O-42:6PS P-42:5 or PS O-42:6ME41740252927289-14.6309596850.5966145
R-DysidazirineR-DysidazirineME417403--10.53433702308.2586077
RetinalRetinalME41740424779628C0037611.38577727285.2212051
RetinolRetinolME417405440573C0047312.3282182287.2370204
RishitinRishitinME417406108064C0971512.42502593223.1692838
Rubraflavone D-ME41712452928835-7.554687932523.2804895
sarmentogenin-ME4171498955-14.095381389.2688617
SM 18:0;O2/16:0SM 18:0;O2/16:0ME41740752931133-15.96651998705.5897079
SM 18:1;O2/12:0SM 18:1;O2/12:0ME417408--12.58713331647.5126158
SM 18:1;O2/16:0SM 18:1;O2/16:0ME41740952931114-13.8983679717.5547054
SM 32:1;O2SM 32:1;O2ME41741042608371-13.97271492675.5440867
SM 32:2;O2SM 32:2;O2ME41741142608370-13.07087217673.5285535
SM 33:1;O2SM 33:1;O2ME41741210236627-14.64027412689.5597766
SM 33:2;O2SM 33:2;O2ME41741352931143-14.10020915687.5440978
SM 34:1;O2SM 34:1;O2ME4174143058739-15.38997254703.5752552
SM 34:2;O2SM 34:2;O2ME41741591486-14.43355375701.5597759
sn-1_2-Di(2-propylpentanoyl)glycerol-ME416948--10.91614579379.3162727
[SP (3:0)] sphinga-4E_8E_10E-trienine-ME41713752931113-9.584400387296.2584905
[SP amino(18:0/2:0)] 2S-aminooctadecane-1_3R-diolGlcCer 18:0;O2/18:0ME4171346321364-9.764957388302.3051266
[SP amino_dimethyl(18:0)] 2-amino-14_16-dimethyloc...-ME417129440905-10.04176425314.3417307
[SP dimethyl_amino(18:0/2:0)] 2S-dimethylaminoocta...-ME41713142608370-16.4327315330.3366034
SphinganineSphinganineME41741642608375C0083612.5365207302.3056984
Sphinganine(d17:0)Ê-ME416989--6.16619075288.2895508
[SP hydroxy_hydroxy_methyl(10:2/2:0)] 6R-(8-hydrox...-ME417130122121-5.45492704288.2535331
[SP hydroxy_methyl_hydroxy_methyl(16:2)] azetidino...-ME41713616755624-6.10144816330.3001158
SpisulosineSpisulosineME4174175280382-8.271456055286.310493
[SP methyl(16:0)] 15-methyl-hexadecasphing-4E-enin...DehydrophytosphingosineME41713214757418-11.71377066286.2743344
[SP methyl(2:0)] 9-methyl-sphinga-4E_8E-dienine-ME41713310566693-12.33827187312.2895731
[ST (2:0)] 24-Nor-5beta-chol-22-ene-3alpha_6alpha-...-ME4171435284063-15.93784116381.3474112
[ST (2:0)] 5beta-Cholane-3alpha_24-diol-ME4171405283557-16.47485943397.3786958
[ST (2:0)] androstan-3beta_17beta-diol5alpha-Androstane-3beta,17beta-diolME417141440558C125257.972091472293.247403
[ST (3:0)] cholest-5Z_7Z_24-trien-3beta-ol-ME4171389939941C0510713.60984994383.3312071
[ST] (5Z_7E)-9_10-seco-5_7_10(19)-cholestatriene-ME41715265252-14.09010119369.351695
[ST dimethyl_methy] 4alpha_14alpha-dimethyl-24-met...32-HydroxylanosterolME417148-C0194312.55421331477.4417182
StearamideStearamideME41741831292C1384610.56787998284.2947544
[ST hydrox] 3beta-hydroxypregn-5-ene-20-onePregnenoloneME4171455879C0195311.50832081317.2474765
[ST hydroxy(3:2/3:0/3:0)] (5Z_7E)-(1R_2R_3R)-3-(hy...-ME417144219833-10.45056031463.378675
[ST hydroxy_methyl_ethyl(2:0)] (5Z_7E)-(1S_3R)-18-...-ME4171479963157-14.43272616495.3462626
[ST hydroxy_methyl_ethyl(2:0)] (5Z_7E)-(1S_3R)-22-...-ME41715452931379-11.3025682499.3897823
stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside-ME41714252931500-11.388827611.4997457
Stigmatellin YStigmatellin YME4174195282078C121509.914007568519.343089
Stylisterol BStylisterol BME4174205282352C1415815.73042958447.3468309
TetrapentylammoniumTetrapentylammoniumME41742117249C1381510.33382945298.3467609
TG(10:0/10:0/10:0)[iso]-ME41710669310-12.70519742589.5151635
TG(14:0/16:1/14:0)(D5)TG 14:0/16:1/14:0*ME416942--22.7207482771.7213918
TG(20:2/18:3/20:2)(D5)TG 20:2/18:3/20:2*ME416964--23.29230373972.874932
TG(20:5/22:6/20:5)(D5)TG 20:5/22:6/20:5*ME416929--22.679016051010.798812
TG 39:0TG 39:0ME417422117811-11.2698779681.6008237
TG 4:0/4:0/4:0TG 4:0/4:0/4:0ME4174236050C138708.045859285337.2337362
Thymyl acetateThymol acetateME41698068252C0990912.39988851193.1223304
TomatidineTomatidineME41742465576C1082615.43503507416.3520696
trans-2-Tetradecenoylcarnitinetrans-2-TetradecenoylcarnitineME417425--7.927067792370.2952849
trans-Hexadec-2-enoylcarnitineCAR 16:1(2E)ME41697253477817-9.533289998398.3266706
TremetoneTremetoneME41742678673C089928.18527519203.1065952
Tributyl phosphateTributyl phosphateME41742731357C144395.730343707267.1719651
Tricosene-ME41702713909773-12.04124598357.420327
Tricosenoic acidTricosenoic acidME417428543855-13.21072035353.3412657
Tridecadienoic acidTridecadienoic acidME4174295312396-10.48788219245.222507
Tridecenoic acidTridecenoic acidME4174305282735-12.3949545213.1849166
TridemorphTridemorphME41743132518C1128511.71199592298.3106088
Triphenyl phosphateTriphenyl phosphateME4174328289C142354.39606594327.0778266
Tuberculostearic acidTuberculostearic acidME41743365037-9.258290393299.2945993
ubiquinol-1-ME416956--5.082450347253.1435115
UndecanoylcholineUndecanoylcholineME417434--8.425871492272.2584345
UvaricinUvaricinME417435441645C0857215.28888941683.5576671
Veatchine-ME416999440912C060929.75210914344.2587718
Xeniasterol-b-ME41715316048638-8.049351117491.374151
Zwittergent 3-14-ME41697884705C1121613.28744447398.340924


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
11beta_21-Dihydroxy-5beta-pregnane-3_20-dione11beta,21-Dihydroxy-5beta-pregnane-3,20-dioneME417496126048C054759.817619562347.222523
1_2-dihexadecanoyl-sn-glycero-3-cytidine-5'-diphos...-ME417476--11.87589704952.5083417
13-Hydroxy-docosanoic acid13-Hydroxy-docosanoic acidME4175055282848C0304912.55817066355.3219273
16-feruloyloxypalmitate-ME417442--9.002882538447.2756364
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cy...-ME4174365282298C1389212.42292259978.5237393
(25S)-11alpha_20_26-trihydroxyecdysoneProscillaridin AME41749852931497-7.99702835511.2916901
(25S)-5ß-spirostan-3ß-ol 3-O-ß-D- glucoside-ME41744952931436C047164.807652092577.3755418
2-Oxo-octadecanoic acid2-Oxo-octadecanoic acidME4175063014114C008697.607042575297.2434229
2-Oxophytanic acid2-Oxophytanic acidME417507439657C021179.80640374325.2748947
3-O-(Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol-ME41750216755647-5.372352978607.3860661
3-O-(Glcb1-2Glcb1-4Galb)-(25R)-12-oxo-5alpha-spiro...Cholesterol sulfateME41750165076-13.86759829931.4903392
4Z_7Z_10Z_13Z_16Z_19Z_22Z_25Z-octacosaoctaenoic ac...-ME41745716061066-15.39529912407.2958923
6beta-acetoxy-24-methylcholestan-3beta_5alpha_22R_...-ME41749338357082-15.15347995507.3696513
9-chloro-10-hydroxy-octadecanoic acid(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acidME41746916061079-7.784444455333.2203596
(9S_10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate-ME41744023724633C1598910.53310209395.2210044
Abietic acidAbietic acidME41750842608222C060879.67343422301.2173451
Arachidic acidArachidic acidME4175095282624C0642514.4143656311.2958226
AstaxanthinAstaxanthinME4175105281224C0858010.14292798595.3787668
bafilomycin A1-ME4174455385089-5.859878857621.4010695
BilirubinBilirubinME41751125041237C004866.47078155583.2570112
bisorganyltrisulfane-ME417447--11.76766782645.1314747
Catharanthine-ME417451363275C091079.456330413335.1760988
Cholesterol sulfateCholesterol sulfateME4175129547626-9.119015638465.3046809
CMP-2-keto-3-deoxy-D-glycero-D-galacto-nononate-ME417448--10.0799318572.1130716
CPA(18:0/0:0)-ME41745051040919-7.948080852419.2571666
Cyanidin 3-(6-acetylgalactoside)-ME4174869547099-9.215207475490.1120226
Cyanidin 3-O-(2''-O-galloyl-6''-O-alpha-rhamnopyra...-ME417487--13.49160997746.1695786
DecosideDecosideME417513441854C088608.143139322545.2759706
Delphinidin 3_5-diglucoside-6''-O-4_ 6'''-O-1-cycl...-ME41748844256714-11.73745302724.1482942
DG 40:10DG 40:10ME41751456936432-14.15154724659.4682134
DG 42:10DG 42:10ME41751510851-14.28015236687.4987479
DG 42:11DG 42:11ME4175169543891-14.07223092685.4840421
Docosapentaenoic acidDocosapentaenoic acidME41751710467-11.05012917329.2486657
Docosenoic acidDocosenoic acidME4175189543670C0831614.72801439337.3115148
EschscholtzxanthinEschscholtzxanthinME41751916061282C0859313.9534158565.4047565
[FA dimethyl(13:0)] 2_5-dimethyl-2E-tridecenoic ac...-ME4174735282674-9.17812936239.2015058
FA dimethyl(16:0)13S-HpODEME4174585280720-12.51715515283.264024
FA dimethyl(20:3)-ME41746516061081-12.82389712333.2801406
[FA hydroxy(14:0)] 3_11-dihydroxy-tetradecanoic ac...-ME4174745282657-3.190807133259.1915334
FA hydroxy(16:0)-ME4174705282766-3.809578143287.2229927
[FA hydroxy(18:1)] 12_13-dihydroxy-9Z-octadecenoic...12,13-DiHOMEME4174635282793C148299.29804102313.2384195
FA hydroxy(18:2)-ME417456--5.756035563311.2228796
FA hydroxy(24:0)TraumatinME4174615312889-12.50864626381.337897
FA methyl(14:0)-ME4174665312332C166659.967917435241.2173268
FA methyl(18:0)-ME417459168274-13.44791371297.2800927
[FA methyl_hydroxy_oxo(18:0)]octadecenoatetrans-Brassidic acidME4174625282772-6.313345947341.23334
FA oxo(12:1)TraumatinME41746065037C163098.731877735211.1338452
FA oxo(14:2) cyclopentanebutanoic acid-ME4174645282787-4.452899245239.1654378
FA oxo(16:0)-ME4174725282738-6.706003362269.2120936
[FA oxo(16:2)] cyclopentanehexanoic acid-ME417468259793-4.771665187267.196694
FA oxo(9:0) oxo-nonanoic acidOxononanoic acidME41746752922074-9.506772642171.1026164
ginsenoside Rh2-ME417437404133-11.39025784621.4380198
HeteratisineHeteratisineME41752073527C0868610.40800046390.2290546
Hexacosanedioic acidHexacosanedioic acidME4175215282952-11.45084534425.3642294
Hexadecadienoic acidHexadecadienoic acidME41752210236635-9.043967082251.201555
Homophytanic acidHomophytanic acidME4175233080668-15.35240999325.3112708
Icosadienoic acid11Z,14Z-Eicosadienoic acidME4174546439848C1652512.01345522307.2645151
ImperialinePeiminineME417444167691C108089.440142992428.3170462
isopentenyladenine-7-N-glucoside-ME41743825202675-8.044064623364.1621637
Juniperic acidJuniperic acidME4175247058075-5.561031448271.2279476
L-2-Hydroxyphytanate-ME4174436326763C029829.022768597327.2906529
Lauric acidLauric acidME4175253893C026797.38020223199.1702298
Linoleic acidLinoleic acidME41752611203400-10.44050933279.2327837
LPA(P-16:0e/0:0)-ME41745252929772C1564611.40800137393.2414964
LPE 20:1LPE 20:1ME417527--9.165163815506.325321
Margaric acidMargaric acidME41752813338910-11.62753185269.2487043
Mayolene-16Mayolene-16ME4175295282973-9.707737223531.4425778
Myristic acidMyristic acidME41753011005C064249.219826277227.2013051
N-(15Z-tetracosenoyl)-hexadecasphing-4-enine-1-pho...-ME41750452931469-21.22589627741.5903101
N-(2-hydroxy-octadecanoyl)-tetradecasphing-4-enine...-ME41750352931471-12.53383334647.4774499
N-Oleoyl methionineN-Oleoyl methionineME41753197783-8.529104505412.2890942
N-Oleoyl taurineN-Oleoyl taurineME4175325282835-6.438617045388.2528637
Nonadecenoic acidNonadecenoic acidME4175336437024-12.21776186295.2643827
N-Palmitoyl methionineN-Palmitoyl methionineME4175345282923-7.903416675386.2737512
N-Palmitoyl prolineN-Palmitoyl prolineME41753514504290-8.044170033352.285852
N-Palmitoyl taurineN-Palmitoyl taurineME417536486207-5.911306698362.2372096
N-Stearoyl glutamineN-Stearoyl glutamineME41753721672-7.578629408411.3232939
N-Stearoyl taurineN-Stearoyl taurineME417538151842-7.395292092390.2688868
Octadecadienoic acidOctadecadienoic acidME41753952921798C047175.355852243311.2229146
Octadecatetraenoic acidOctadecatetraenoic acidME417540125639-8.840355783275.2015879
Octadecenoic acidOctadecenoic acidME4175415282996-13.85794421323.2958615
[PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosp...LPA 16:0ME41747552926580C004166.296032512409.2364192
PA 18:1(9Z)/0:0*PA 18:1(9Z)/0:0ME4175425311263C004166.855012945435.2521512
PA(18:2(9Z_12Z)/0:0)PA 18:2(9Z,12Z)/0:0*ME41745350990923C004165.961158505433.2363419
PA(18:3(6Z_9Z_12Z)/0:0)PA 18:3(6Z,9Z,12Z)/0:0*ME417478--3.686974437431.2208597
[PA(20:4(5Z_8Z_11Z_14Z)/0:0)] 1-(5Z_8Z_11Z_14Z-eic...-ME417480--6.104465357457.2366018
Palmitic acidPalmitic acidME417545985C0024910.8361889255.2328103
Palmitoleic acidPalmitoleic acidME417546135369651C083629.806944422253.2173123
Palmitoyl glucuronidePalmitoyl glucuronideME417547161223-6.309842223417.2861219
PA O-30:0PA O-30:0ME41754352925321-10.56251218605.4559002
PA P-31:0 or PA O-31:1PA P-31:0 or PA O-31:1ME41754424779487-14.06509431617.4558871
Papyriferic acidPapyriferic acidME417548441683C086329.753718262603.3913489
PC(21:0(CHO))-ME41748152926296-8.176004588592.3627273
PC 9:0*PC 9:0*ME41754953480747-3.982143992396.2162334
PC P-36:4 or PC O-36:5PC P-36:4 or PC O-36:5ME417550--15.27047409764.5602403
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...-ME417479--7.423689155511.305157
[PG (20:4)] 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-...-ME41748252925139-5.703135917531.273251
PG 30:0PG 30:0ME41755124779567-13.28931165693.4720664
PG 31:1PG 31:1ME417552--13.28565043705.4725393
PG 32:0PG 32:0ME4175536419701-14.62143412721.5038337
PG 36:2PG 36:2ME41755452925407-15.86948621773.5346188
PG 36:3PG 36:3ME4175559547087-14.97783582771.5183214
PG 36:4PG 36:4ME417556--14.63546709769.5034074
PI(20:3(8Z_11Z_14Z)/0:0)PI 20:3(8Z,11Z,14Z)/0:0*ME41747752927141-6.065424627621.305109
PI 32:0PI 32:0ME417557--14.07728574809.519733
PI 32:1PI 32:1ME41755842607484-13.43256376807.5042438
PI 33:1PI 33:1ME41755952926281-14.0716921821.5193942
PI 34:0PI 34:0ME417560--15.7257088837.5495084
PI 34:1PI 34:1ME41756142607498-14.73159124835.5353468
PI 34:2PI 34:2ME41756252929757-13.98853663833.5199183
PI 34:3PI 34:3ME41756352926484-13.28752922831.5042988
PI 35:1PI 35:1ME41756452925243-15.52773755849.5498514
PI 36:2PI 36:2ME41756552929567-15.34496913861.5505222
PI 37:3PI 37:3ME41756642607485-15.56258377873.5496363
PI 40:3PI 40:3ME417567--15.75172919915.59646
PI 40:7PI 40:7ME41756852926293-14.65439247907.5353478
[PR] 1'-Hydroxy-4-keto-gamma-carotene glucoside/ 1...-ME41749116061238-14.38991071745.503985
[PR] 3beta-(3-methyl-butanoyloxy)-villanovane-13al...-ME41749044256917-4.372084413437.2914605
Pristanoylglycine-ME417439--8.887374585354.3016655
[PR] Ketomyxol/ 2'-Hydroxyflexixanthin-ME41748944256712C1592810.98703389597.3939127
Proscillaridin AProscillaridin AME41756944260122-9.925478383529.2812507
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...-ME41748552929570-6.197985827522.284022
PS(18:2(9Z_12Z)/0:0)PS 18:2(9Z,12Z)/0:0*ME41748352926186-5.276188882520.2687916
PS 19:0/0:0*LPS 19:0/0:0ME417570--6.118637887538.3155664
PS 20:0/0:0*LPS 20:0/0:0ME41757152926470-6.812210032552.3313186
PS 21:0/0:0*LPS 21:0/0:0ME41757223557187-7.634573758566.3467348
PS 22:0/0:0*LPS 22:0/0:0ME41757352926294-8.444420458580.3617069
PS(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/0:0)PS 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*ME41748452926279-5.411696478568.2686777
PS 30:1PS 30:1ME417574--14.68673877704.4517956
PS 34:1PS 34:1ME417575--14.84070753760.5147804
PS 35:1PS 35:1ME41757652925406-15.202105774.5301314
PS 36:1PS 36:1ME4175779543945-15.98228177788.5455081
PS 37:2PS 37:2ME41757859720717-15.87700793800.5454501
PS 37:3PS 37:3ME417579--15.42971949798.5298463
PS P-30:1 or PS O-30:2PS P-30:1 or PS O-30:2ME41758052926280-14.7173925688.4572303
Sapelin ASapelin AME417581441684C0863411.41396464473.3641288
[SP amino_trihydroxy_hydroxy_methyl_oxo(20:0)] 2S-...-ME41749210569-8.88919454416.2657302
Sphinganine-1-phosphocholineSphinganine-1-phosphocholineME41758211750429-15.80866051466.353979
Sphingosine 1-phosphateSphingosine 1-phosphateME4175835281237C061246.447907487378.2414789
Sphingosine-1-Phosphate (d17:1)C17 Sphingosine 1-phosphateME417446--5.611511675364.2262678
[ST (2:0/2:0/2:0)] (5Z_7E)-(3S)-26_26_26-trifluoro...-ME417499440696-8.689407262439.28352
[ST (3:0)] 26-O-[beta-D-glucopyranosyl]-25R-furost...-ME4175005283893-12.79275999595.3862962
[ST hydroxy(2:0)] (5Z_7E)-(1R_2R_3R)-2-(5-hydroxyp...-ME41749510883396-12.53098333501.3958368
[ST hydroxy(4:0)] 1beta_3alpha_7alpha_12alpha-Tetr...-ME41749724779661-9.033748347423.2756523
[ST methy] 24-methylene-cholest-5-en-3beta-ol-3-su...-ME4174945283560-8.774738905477.3052836
Tefluthrin-ME4174415281874C109923.582244173417.0492142
Tetracosapentaenoic acid (24:5n-6)-ME417455445638-12.51666412357.2801379
Tetradecenoic acidTetradecenoic acidME41758410465-8.333191095225.1859669
TG 12:0/12:0/12:0TG 12:0/12:0/12:0ME4175859543951C0042210.67498136637.5420187
TG 38:0TG 38:0ME41758615384561-11.3284206665.5730652
TG 38:1TG 38:1ME41758791865737-10.96141454663.5576173
Ubiquinol-6Ubiquinol-6ME4175889547284-14.00849143591.4409379
(Z)-7-Octadecenyl 3-methylbutanoateN-Oleoyl taurineME4174716437033-15.69841952351.326992
ZeaxanthinZeaxanthinME4175895280899C0609814.14939415567.4201748


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