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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_11-Dihydro-12R-hydroxy-leukotriene E4-ME41644724779468-14.06262512457.2490455
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-oct...-ME41644153481048-17.03293536603.5344469
14:4(2E_4E_8E_10E)(6Me[S]_9Me_12Me[S])-ME41649252921783-11.76433632263.2004318
14'-apo-beta-Carotenal14'-apo-beta-CarotenalME4165075280992C0673411.74780543311.2369155
16alpha-Hydroxysteroid-ME416504439393C010907.41471451293.2473975
1-Dodecanoyl-sn-glycerol-ME4164285283595C138545.666430697275.2217073
1-eicosanoyl-(1-cyano-2-methylprop-2-en-1-ol)-ME41645352926151-16.72485992392.3518101
1-O-Octadec-9-enyl glycerol-ME41642952929565C1386011.67141027343.3204397
(1R_4S)-fenchan-2-one-ME416478460602-3.953444142153.1272342
2-Aminotetradecanoic acid2-Aminotetradecanoic acidME416508252477-4.194018472244.2270971
3_5_7-Trimethyl-2E_4E_6E_8E-decatetraene-ME41649314656044-11.79489841177.1636272
3_5_7-Trimethyl-2E_4E_6E_8E-undecatetraene-ME41646324779046-3.795549114191.1793506
3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene...3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylateME416509-C0484013.01696612445.3668559
3-Dehydro-2-deoxyecdysone-ME41650615251159C164975.170475815447.3106339
3-Dimethylallyl-4-hydroxymandelic acid-ME416482443851C124573.433899091237.1121775
3-Ketosphingosine3-KetosphingosineME4165109839212C0612110.05203563298.2738338
3Z_6Z_9Z-Tricosatriene-ME4164766427110-10.90261871319.3356216
4_8-Dimethyl-1_3E_7-nonatriene-ME416477--3.940299569151.1479362
4-8dimethylnonanoylcarnitine-ME4164796435901-5.462087875330.2638514
4-Dodecylphenol4-DodecylphenolME41651166030C142458.596813484263.2367791
5beta-cholestan-3alpha_4alpha_11beta_12beta_21-pen...-ME41649052931339-14.73997507613.2713029
7_10_13_16-Docosatetraenoylethanolamine-ME4164965282273C1382913.64840722376.3209466
8-hydroxy-13Z-octadecene-9_11-diynoic acid-ME4164675283296-4.954705071291.1954725
9_12-Hexadecadienoylcarnitine-ME41646152923972-8.736562815396.3108754
(9S_10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate-ME41645152926300C159893.549717651397.2344623
acyl phosphatidylglycerol (n-C12:0)-ME416460497299-15.41720804793.5589008
all-trans-13_14-Dihydroretinol-ME416489446798C154927.557413442289.2523982
alpha-Linolenoyl-EAalpha-Linolenoyl-EAME4165125282989-10.17643006322.2737509
AltretamineAltretamineME416513-C000323.8388631616.1762421
anhydroretinol-ME41644211953816-9.126907384269.2260731
Antibiotic TA-ME4165009960754C1575610.22025248624.4462626
Arachidonoyl-EAArachidonoyl-EAME4165145281969C1169510.58945595348.2894175
beta-Estradiolbeta-EstradiolME4165155757C0095111.74368666273.1847332
BurseranBurseranME416516442832C105473.311759531387.1798964
CAR 14:0CAR 14:0ME41651753477791-8.619273222372.310311
CAR 14:1CAR 14:1ME41651822833575-7.636785146370.2948197
CAR 16:0CAR 16:0ME4165195283571C029906.184775256400.3418065
CAR 16:1;OHCAR 16:1;OHME416520--6.837354065414.3216752
CAR 18:1CAR 18:1ME41652124778983-6.831782811426.3570238
Cer 18:0;O2/16:0Cer 18:0;O2/16:0ME41652223724633-17.57410757540.5342576
Cer 18:0;O2/22:0Cer 18:0;O2/22:0ME4165235716900-20.82009133624.6286246
Cer 18:0;O2/24:0Cer 18:0;O2/24:0ME4165246540-21.23945155652.6601347
Cer 18:0;O2/24:0;OCer 18:0;O2/24:0;OME4165254671-20.88551603668.6547271
Cer 18:0;O3/13:0;OCer 18:0;O3/13:0;OME416526--17.24479031530.4772917
Cer 18:0;O3/15:0;OCer 18:0;O3/15:0;OME41652752929637-18.89967806558.5085689
Cer 18:1;O2/16:0Cer 18:1;O2/16:0ME4165285283405C0019516.93744622538.5187317
Cer 18:1;O2/24:0Cer 18:1;O2/24:0ME41652924779052C0019521.10213977650.6440306
Cer 18:1;O2/24:1Cer 18:1;O2/24:1ME4165305283601C0019520.7343601648.6288078
Cer 33:0;O2Cer 33:0;O2ME41653152931114-14.10927611526.5188739
Cer 33:1;O2Cer 33:1;O2ME41653214756407-16.19442798524.5029618
Cer 35:0;O2Cer 35:0;O2ME41653352931125-15.68819522554.5502658
Cer 36:1;O2Cer 36:1;O2ME41653452922819-18.51686011566.5499452
Cer 40:1;O2Cer 40:1;O2ME41653552926102-20.64125799622.6127879
Cer 41:0;O2Cer 41:0;O2ME41653656936133-21.0403655638.6443232
Cer 41:1;O2Cer 41:1;O2ME41653724779461-20.90672555636.6287338
CholestenoneCholestenoneME41653891477C0059913.12555476385.3461695
Coniferyl alcoholConiferyl alcoholME4165391549095C005906.87363871181.0857266
CTAB-ME41643352929643C112757.69298739284.331059
DG 42:9DG 42:9ME41654052931201-11.44065832691.5304072
Dihydroceramide-ME41648616755624C121264.169241869330.30016
di-n-Undecylamine-ME41642725203268-10.69562282326.3780329
DocosanamideDocosanamideME416541--13.014232340.3570681
Eicosanoyl-EAEicosanoyl-EAME4165423787294-15.82067063356.3520243
Erucicoyl-EAErucicoyl-EAME41654324779082-12.37505493382.3676098
Estradiol-17-phenylpropionate-ME41648152929239C1464511.03354193405.2431441
FA (14:2) tetradecadienal-ME41647524779307-3.910856319209.1899666
[FA (16:2)] N-hexadecyl-ethanolamine-ME41645224779420C1651211.03974956300.2895562
[FA (17:1)] 7-heptadecynoic acid-ME4164955312622-6.771004493267.2316944
[FA (17:3)] 8Z_11Z_14Z-heptadecatrienoic acidNorlinolenic acidME41650216061034C163445.974684693265.216177
[FA (18:2)] 3Z_13Z-octadecadien-1-ol-ME41646852931215-10.35128594267.2681445
[FA hydroxy(20:4)] eicosatetraenoyl amine-ME41648052923904-9.3975413320.2579544
Falcarindiol-ME4164885281148C0844911.75189143261.1847939
[FA methyl(18:0)] 9_10-methylene-9-octadecenoic ac...-ME41650312921C083667.880412932295.263036
FA oxo(14:1) cyclopentanebutanoic acid-ME4164345367327-6.006126101239.1640748
FA oxo(15:0)-ME416431--5.808738282257.2110733
FA oxo(19:0)-ME4164945312916-7.366786056313.2735057
FA oxo(21:0)-ME416439--20.68511969341.3045795
GlcCer 14:1;O2(4E)/20:0;OGlcCer 14:1;O2(4E)/20:0;OME41654452931157-14.41234571716.5671863
Glucosylceramide-ME41643765146C0119020.42591939812.6967384
Glucosylceramide (d18:1/16:0)-ME41644410373084C0119014.98014037700.5725321
Glucosylceramide (d18:1/22:0)-ME41644553480650C0119019.53395714784.6657789
Glucosylceramide (d18:1/24:1(15Z))-ME41645652922703C0119019.71042467810.6815522
haematoporphyrin IX-ME41646252931177-4.310129979599.2861062
HexadecenalHexadecenalME416471-C061238.889771492239.2367644
Himbacine-ME41645824779573C1059810.14020901346.2737352
HymenoflorinHymenoflorinME416545442262C094803.045615671281.1383394
LinoleamideLinoleamideME41654646891763-8.448366636280.2632586
LPC 12:0LPC 12:0ME416547442076-3.169181901440.2769198
LPC 14:0LPC 14:0ME41654852923812C042305.045138205468.3080552
LPC 16:0LPC 16:0ME41654952924569C042306.63949352496.3393018
LPC 16:1(9Z)*LPC 16:1(9Z)ME4165505283593C042305.8154279494.3241905
LPC 18:0LPC 18:0ME41655152924055C042308.099796746524.3703863
LPC 18:1LPC 18:1ME41655221672239-7.797034397508.3758035
LPC 20:0LPC 20:0ME41655324779473C042309.527043529552.4015816
LPC 20:1LPC 20:1ME41655453480922C042308.561375772550.3860297
LPC 20:2LPC 20:2ME41655552924051C042307.708555373548.3704517
LPC 20:3LPC 20:3ME41655653480693C042306.991552751546.3547703
LPC 20:4LPC 20:4ME416557-C042306.490043017544.33904
LPC 22:0LPC 22:0ME4165585283592C0423010.83507359580.4331494
LPC 22:5LPC 22:5ME41655953480473C042307.066903194570.3548924
LPC 24:0LPC 24:0ME41656025271603C0423012.13135871608.4646376
LPC 24:1(15Z)*LPC 24:1(15Z)ME416561439454C0423010.97101614606.4489942
LPC P-18:1 or LPC O-18:2LPC P-18:1 or LPC O-18:2ME4165622733532C043178.732942479510.3909309
LPE 16:0LPE 16:0ME41656390657394-6.345605199454.2927981
LPE 20:0LPE 20:0ME41656452925131-7.345576346510.3552914
LPE 20:2LPE 20:2ME41656552925140-5.609392182506.3237766
LPE 22:0LPE 22:0ME41656652925144-8.804077411538.3860041
LPE 22:1LPE 22:1ME41656753480940-7.885943013536.3701746
MagnoshininMagnoshininME41656852924053C106583.173287132415.2113635
Margaroyl-EAMargaroyl-EAME41656914455158-12.73713586314.3051206
MG(0:0/22:2(13Z_16Z)/0:0)MG 0:0/22:2(13Z,16Z)/0:0*ME41642510225211-12.85085148411.347177
MG 14:0MG 14:0ME4165705282309-7.394064115303.2528582
Minabeolide-2-ME41642352926104-11.78953481467.2788154
N-(11Z_14Z-eicosadienoyl)-ethanolamineEicosadienoyl-EAME4165015283444-13.76066881352.3206969
N-(2-hydroxy-docosanoyl)-pentadecasphing-4-enine-1...-ME41647253480683-13.32573324719.569617
N-(2-hydroxydocosanoyl)-sphinganine-ME41644052929659-20.31478501640.6233729
N-(2-hydroxyeicosanoyl)-sphinganine-ME41643052922220-19.31215324612.5920972
N-(2-hydroxyicosanoyl)-phytosphingosine-ME41645520057357-20.00969344628.586877
N-(2-hydroxynonadecanoyl)-phytosphingosine-ME41644314035030-20.68211686614.5713978
N-(2-hydroxyoctadecanoyl)-phytosphingosine-ME4164655283568-20.21918444600.5558397
N-(2-hydroxyoctadecanoyl)-sphinganine-ME4164266436482-17.70826499584.5609637
N-(2-hydroxyundecanoyl)-phytosphingosine-ME41642452929116-15.69313036502.4459358
N-(5-hydroxy-pentyl)-5Z_8Z_11Z_14Z-eicosatetraenoy...-ME416457--15.34616072390.3360708
N-Acetyl-beta-glucosaminylamineN-Acetyl-beta-glucosaminylamineME41657111803170C0123915.13089787221.1132113
N_N-Dimethylsphing-4-enine-ME4164649894945C139149.854607024328.3205033
Noladin Ether-ME4164976483057-13.20038276365.304964
OctadecadienalOctadecadienalME41643552922903-9.415642124265.2524051
OleamideOleamideME416572--9.268468551282.278941
PA 17:0/14:1*PA 17:0/14:1*ME41657353480968-11.6704071650.4750545
PA 22:0/0:0*LPA 22:0/0:0*ME41657452929512-14.19533046495.3439699
PA 26:0PA 26:0ME41657552929522-17.59715752565.3860915
PA 30:3PA 30:3ME41657652928645-10.80595707615.401916
PA 34:0PA 34:0ME41657749837859-21.1854544677.510916
PA 36:0PA 36:0ME41657824778881-21.49767456705.5425444
PA 38:0PA 38:0ME416579--21.73698545733.5742118
PA 40:1PA 40:1ME41658010236627-21.82021024759.589724
PA 40:3PA 40:3ME4165815974-9.320043909755.5594164
PA 42:1PA 42:1ME41658252928834-22.03373908787.6206691
PA 42:10PA 42:10ME416583442896-10.41088181769.4809031
PA 44:1PA 44:1ME41658452928911-22.22359425815.6524172
PA 44:6PA 44:6ME41658553477801-16.56991718805.5736724
PA O-28:0PA O-28:0ME41658653481047-18.88986394579.4377489
PA O-30:0PA O-30:0ME41658724778484-19.95927005607.4694638
PA O-32:0PA O-32:0ME41658821259872-20.68760107635.5006532
PA O-34:0PA O-34:0ME41658925202880-21.09997426663.5323104
PA P-28:0 or PA O-28:1PA P-28:0 or PA O-28:1ME416590--17.90559726577.4223936
PA P-30:0 or PA O-30:1PA P-30:0 or PA O-30:1ME416591656773-19.36990487605.4534355
PA P-30:1 or PA O-30:2PA P-30:1 or PA O-30:2ME41659231292-18.43704776603.4376988
PA P-32:1 or PA O-32:2PA P-32:1 or PA O-32:2ME41659352924541-19.77965567631.4692398
PA P-34:0 or PA O-34:1PA P-34:0 or PA O-34:1ME41659452929568-20.86445972661.5164496
PA P-34:1 or PA O-34:2PA P-34:1 or PA O-34:2ME41659524778618-20.54629569659.5006117
PA P-34:2 or PA O-34:3PA P-34:2 or PA O-34:3ME41659652929663C1564720.14693564657.4852413
PA P-34:3 or PA O-34:4PA P-34:3 or PA O-34:4ME41659752929574-19.56350537655.4693461
PA P-34:4 or PA O-34:5PA P-34:4 or PA O-34:5ME41659852929670-18.71198288653.4536936
PC(16:0/9:0(CHO))-ME416450--7.41714197650.4384816
PC 18:2PC 18:2ME41659924779467-6.315479549520.3393319
[PC(18:3)]-ME4164485283992-5.577303191518.3237439
PC 22:1PC 22:1ME4166005283414-9.812317223578.4176782
[PC(22:6/22:6)] 1_2-di-(4Z_7Z_10Z_13Z_16Z_19Z-doco...-ME41643652922113C0015715.09352521878.5700393
PC 24:0PC 24:0ME416601--10.5495402622.4434987
PC 28:0PC 28:0ME41660252929314-12.92934203678.5065985
PC 30:0PC 30:0ME41660352926266-14.01858005706.5379464
PC 30:1PC 30:1ME41660424778825-13.34991163704.5221066
PC 30:2PC 30:2ME41660524778525-12.63019995702.5074996
PC 32:0PC 32:0ME416606--15.29155588734.5694126
PC 32:1PC 32:1ME41660724778634C0015714.60322318732.5535529
PC 32:2PC 32:2ME41660824778510-13.81215912730.537833
PC 32:3PC 32:3ME4166095282993-13.17421853728.5224238
PC 34:0PC 34:0ME41661052931133-16.74746232762.6012711
PC 34:1PC 34:1ME41661152926144-15.95446505760.5850538
PC 34:2PC 34:2ME41661252931143-15.12130949758.5694592
PC 34:3PC 34:3ME41661352923147-14.41324302756.5536442
PC 34:4PC 34:4ME4166145283575-14.03512048754.5379489
PC 36:0PC 36:0ME41661552923956-18.20504853790.6318649
PC 36:1PC 36:1ME41661632518-17.43889592788.6161973
PC 36:2PC 36:2ME416617460604-16.60180993786.6006979
PC 36:3PC 36:3ME41661810532409-15.71595964784.5844945
PC 36:4PC 36:4ME41661952923942-15.42813012782.5692638
PC 36:5PC 36:5ME416620-C0015714.63789456780.5533736
PC 38:1PC 38:1ME41662152924379-18.84981191816.6474892
PC 38:2PC 38:2ME41662224779134-17.95508626814.6318435
PC 38:4PC 38:4ME416623122121-16.92093001810.6003753
PC 38:5PC 38:5ME41662453477677-15.99921343808.5846223
PC 40:1PC 40:1ME416625--20.15465999844.6787649
PC 40:2PC 40:2ME41662652924601-19.64480637842.6629523
PC 40:3PC 40:3ME4166275283564C0015718.76186012840.6479842
PC 40:4PC 40:4ME4166285281825-18.5073657838.63176
PC 40:5PC 40:5ME416629--17.54654836836.6162777
PC 40:7PC 40:7ME41663052926184-15.84758068832.5847008
PC 40:8PC 40:8ME41663124778901C0015715.00289084830.5689415
PC 40:9PC 40:9ME416632--14.37918992828.5536153
PC 42:1PC 42:1ME41663324779275-20.792871872.7101714
PC 42:11PC 42:11ME4166349925886C0015714.37177158852.5534849
PC 42:2PC 42:2ME41663553481049-20.51582806870.6943751
PC 42:4PC 42:4ME4166365283572-19.88258632866.6630606
PC 42:5PC 42:5ME41663724778719-18.77616102864.6478006
PC 42:7PC 42:7ME41663824779415-17.22413973860.6160259
PC 42:8PC 42:8ME41663946907874-16.31305539858.601352
PC 42:9PC 42:9ME41664024779405-15.59739058856.5847799
PC O-20:0PC O-20:0ME41664124779416-10.11663438538.4227267
PC(o-22:0/20:4(8Z_11Z_14Z_17Z))PC o-22:0/20:4(8Z,11Z,14Z,17Z)*ME4164549939965-20.40127023852.6835436
PC O-32:0PC O-32:0ME41664211146967-16.2569414720.589969
PC O-34:0PC O-34:0ME41664352929567-17.80895701748.6206985
PC P-22:3 or PC O-22:4PC P-22:3 or PC O-22:4ME41664452925997-11.41601033566.4535184
PC P-32:0 or PC O-32:1PC P-32:0 or PC O-32:1ME41664553479161-15.53861022718.5738197
PC P-34:0 or PC O-34:1PC P-34:0 or PC O-34:1ME41664624779476-16.87502149746.6056321
PC P-34:1PC P-34:1ME41664752923934-16.09441282744.5907051
PC P-36:0 or PC O-36:1PC P-36:0 or PC O-36:1ME4166485283577-18.50644643774.6367136
PC P-36:1 or PC O-36:2PC P-36:1 or PC O-36:2ME41664952931112-17.62583323772.6218775
PC P-36:3 or PC O-36:4PC P-36:3 or PC O-36:4ME41665052931115-16.36181509768.5905635
PC P-36:4 or PC O-36:5PC P-36:4 or PC O-36:5ME41665153480747-16.24314355766.5741394
PC P-38:0 or PC O-38:1PC P-38:0 or PC O-38:1ME41665252923269-19.86821519802.6680389
PC P-38:1 or PC O-38:2PC P-38:1 or PC O-38:2ME4166539543939-19.25624737800.6525785
PC P-38:2 or PC O-38:3PC P-38:2 or PC O-38:3ME41665453480477-18.32464501798.6368838
PC P-38:4 or PC O-38:5PC P-38:4 or PC O-38:5ME416655--16.88969887794.6054495
PC P-40:0 or PC O-40:1PC P-40:0 or PC O-40:1ME41665676468-20.61070361830.699556
PC P-40:1 or PC O-40:2PC P-40:1 or PC O-40:2ME41665753480691C0015720.27144631828.6836339
PC P-40:2 or PC O-40:3PC P-40:2 or PC O-40:3ME416658--19.70215598826.6680597
PC P-40:3 or PC O-40:4PC P-40:3 or PC O-40:4ME41665952931147-19.48677959824.6533261
PC P-42:4 or PC O-42:5PC P-42:4 or PC O-42:5ME416660--19.66609123850.667726
PE 40:6PE 40:6ME416661129657-17.26646236792.5534345
PE 40:7PE 40:7ME416662--16.31857369790.5380709
PE 42:3PE 42:3ME4166636468-18.03087644826.631435
PE 42:4PE 42:4ME41666452923760-17.68683865824.6157604
PE 42:6PE 42:6ME416665137938-16.07149727820.5847098
PhencyclidinePhencyclidineME41666652928636C075753.01097885244.205873
Phenylpyruvic acidPhenylpyruvic acidME4166675283594C001664.945971312165.0545391
PhytosphingosinePhytosphingosineME41666853480717C121447.368516721318.3001163
[PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...-ME416485--6.021145679599.3183228
PleuromutilinPleuromutilinME41666952929656C091697.670115051379.2473056
ProsopinineProsopinineME416670442654C101675.278071649314.2687688
PS 17:1PS 17:1ME41667124779481-3.557067108510.2821891
PS 34:0PS 34:0ME41667252924034-13.5110734764.5431109
PS O-16:0/22:1(11Z)*PS O-16:0/22:1(11Z)ME41667325201819-14.12100357804.6111736
PS O-18:0PS O-18:0ME416674--5.442571031512.3344887
PS(P-20:0/22:2(13Z_16Z))PS P-20:0/22:2(13Z,16Z)*ME416432--17.62012173856.641915
PS P-29:0 or PS O-29:1PS P-29:0 or PS O-29:1ME41667524778870-8.864118313678.4699525
PS P-36:0 or PS O-36:1PS P-36:0 or PS O-36:1ME41667652926302-12.89926041776.5798965
PS P-36:1 or PS O-36:2PS P-36:1 or PS O-36:2ME4166775287678-12.20889518774.5637481
PS P-38:1 or PS O-38:2PS P-38:1 or PS O-38:2ME41667825201756-13.27879242802.595392
PS P-38:2 or PS O-38:3PS P-38:2 or PS O-38:3ME416679--12.8584385800.5793986
PS P-40:2 or PS O-40:3PS P-40:2 or PS O-40:3ME416680440507-16.14152187828.6110154
PS P-42:5 or PS O-42:6PS P-42:5 or PS O-42:6ME41668152926101-13.38129717850.595272
RetinalRetinalME416682638015C0037610.98430688285.2211277
RetinolRetinolME416683445354C0047311.81936829287.2368531
SM 18:0;O2/16:0SM 18:0;O2/16:0ME41668452929605-14.4909624705.5903635
SM 18:1;O2/24:0SM 18:1;O2/24:0ME4166855282282-22.05694667816.7074492
SM 18:2;O2/22:1SM 18:2;O2/22:1ME41668652931199-16.3553683783.6373803
SM 32:1;O2SM 32:1;O2ME41668724779084-12.78498867675.5433219
SM 33:1;O2SM 33:1;O2ME41668852931137-13.30636118689.5590106
SM 34:1;O2SM 34:1;O2ME4166895283387-13.94334185703.5745953
SM 34:2;O2SM 34:2;O2ME41669014656047-13.2037135701.5589667
SM 35:1;O2SM 35:1;O2ME41669152924057-14.61967262717.5898647
SM 36:1;O2SM 36:1;O2ME41669224779479C0055015.30339145731.6057038
SM 36:2;O2SM 36:2;O2ME41669324778764-14.56397256729.5902131
SM 38:1;O2SM 38:1;O2ME416694440558C0055016.83278497759.6374582
SM 38:2;O2SM 38:2;O2ME41669552923768-16.01567852757.6222163
SM 39:1;O2SM 39:1;O2ME41669652931189-17.81539805773.6528943
SM 40:1;O2SM 40:1;O2ME41669724779628C0055018.46561837787.6685612
SM 40:2;O2SM 40:2;O2ME41669810062076-17.21679576785.6529335
SM 41:1;O2SM 41:1;O2ME41669952931211-19.28404318801.6841692
SM 42:3;O2SM 42:3;O2ME416700997-17.85425284811.668533
SM(d17:1/24:1(15Z))SM 17:1;O2/24:1(15Z)ME41649152931208-18.01509137799.6681779
SM(d18:0/24:1(15Z))SM 18:0;O2/24:1(15Z)ME41646678673C0055019.86913971815.6998915
SM(d18:1/24:1(15Z))SM 18:1;O2/24:1(15Z)ME416469-C0055018.70971502813.6841251
[SP (3:0)] sphinga-4E_8E_10E-trienine-ME41648742608349-9.244357103296.2581844
[SP] (3'-sulfo)Galbeta-Cer(d18:0/2-OH-18:0)-ME41648424779580-16.50031345824.5560127
SP (4:0)-ME4164745283369-7.638095959278.2478567
[SP amino_dimethyl(18:0)] 2-amino-14_16-dimethyloc...-ME41642252931500-8.803661804314.341453
[SP dimethyl_amino(18:0/2:0)] 2S-dimethylaminoocta...-ME41650542608375-15.3448527330.3363795
Sphinganine(d17:0)Ê-ME416498--12.24500047288.2895407
[SP hydroxy(16:0)] N-(hexadecanoyl)-4S-hydroxysphi...-ME416446--16.13842311556.5294049
[SP hydroxy_hydroxy_methyl(10:2/2:0)] 6R-(8-hydrox...-ME41648342608371-4.080352694288.253306
SpisulosineSpisulosineME41670152926182-7.207271678286.3103093
[SP methyl(2:0)] 9-methyl-sphinga-4E_8E-dienine-ME41649910913955-11.75967858312.2895018
[ST (3:0)] cholest-5Z_7Z_24-trien-3beta-ol-ME41645953480773C0510712.66948869383.3303578
[ST] (5Z_7E)-9_10-seco-5_7_10(19)-cholestatriene-ME41647352929743-13.07242054369.3514655
StearamideStearamideME416702-C1384610.07953651284.2946507
[ST Oxo(2:0)] 3-Oxochola-4_6-dien-24-oic Acid-ME41644910854909-13.09663549371.2583828
TetrapentylammoniumTetrapentylammoniumME41670317249C138157.814275427298.3466411
TremetoneTremetoneME41670424779393C089924.888973435203.106606
Tributyl phosphateTributyl phosphateME41670531357C144395.847167103267.1718095
Tridecylic acidTridecylic acidME41670652923890-3.8319482229.1796756
TridemorphTridemorphME41670752926105C1128510.91002291298.3102592
Tris(butoxyethyl)phosphate-ME4164385312923C144466.144608094399.2501999
ubiquinol-1-ME416470--4.937263118253.1434754
Xestoaminol CXestoaminol CME41670868577-3.762556189230.2478231


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
1-18:0-2-18:3-monogalactosyldiacylglycerol-ME416837--10.20337958779.5690372
1_2-di-S-octyl-1_2-dimercapto-3-propanol-ME416804985-7.28343811347.2442158
16-feruloyloxypalmitate-ME41675752925406-8.742050457447.2758945
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cy...-ME4167165282298C1389211.83497253978.5224495
2-heptaprenyl-3-methyl-6-methoxy-1_4-benzoquinol-ME416788311-20.68916675631.508412
3alpha_7alpha_12alpha-Trihydroxy-5beta-cholestan-2...-ME416923-C013019.311200009433.3331123
3-O-(6'-O-(11Z_14Z_17Z-eicosatrienoyl)-beta-D-gluc...-ME4168405282827-19.86914515849.6619017
3-O-(6'-O-(9Z_12Z_15Z-octadecatrienoyl)-beta-D-glu...-ME416849123409-18.46015054821.6313047
4Z_7Z_10Z_13Z_16Z_19Z_22Z_25Z-octacosaoctaenoic ac...-ME41671352921798-14.51574341407.2958116
(4Z_7Z_10Z_13Z_16Z_19Z)-Docosahexaenoic acid ethyl...-ME41687142607474C1618511.19333385355.2649166
6-Deoxocastasterone6-DeoxocastasteroneME41692516061079C1580214.63386152449.3641272
Aeruginopeptin 917S-C-ME416816-C1575014.519136061021.524079
Arachidyl palmitoleate-ME41690752926484-21.66626433533.531185
Avermectin B2b monosaccharideAvermectin B2bME41681452924451C1195710.4316792731.4009913
bafilomycin A1-ME41690552926293-5.740708612621.4006731
beta-Tocotrienol-ME4167175282348C1415416.37935626409.3115646
BilirubinBilirubinME4168465282835C004866.896920556583.2566351
CDP-DG(36:2)-ME41671253477925-12.307155091004.538683
Cer(t18:0/h24:0)Cer 18:0;O3/24:0;OME4168535280352-21.0431451682.6364087
CGS 7181-ME41687210465C1383610.01387399405.1060628
CholesterolsulfateCholesterol sulfateME41680753481133-8.881566695465.304928
CitrateCitric acidME41678652926263C0015810.72602294191.0198062
Cyanidin 3-(6-acetylgalactoside)-ME4168175283005-8.843901777490.1118082
DecosideDecosideME416710441854C088607.961130608545.2761226
DocosahexaenoicacidDocosahexaenoic acidME41678919782904C0642910.16407197327.2330482
Docosanoic acidBehenic acidME41677946891805C0828115.1183464339.3268851
Dodecanoic acidLauric acidME41672152925420C026797.305750886199.1703343
FA (14:1) tetradecenoic acidTetradecenoic acidME416793445580-8.152603262225.1860913
FA(16:1)Hexadecenoic acidME4168589546824C083629.557486869253.2175876
FA (16:2)Hexadecadienoic acidME4168859547087-8.791059072251.2018938
FA (16:3)Hexadecatrienoic acidME4168355282772-8.110504856249.1861244
FA (17:0)Margaric acidME416865445638-11.11782754269.2489695
FA (18:1)Octadecenoic acidME416759--10.94931619281.2481903
FA (18:2)Octadecadienoic acidME41690252925431-10.09350492279.2327694
FA (18:3)Octadecatrienoic acidME41687652925310-9.297655425277.2175215
FA (18:4)Octadecatetraenoic acidME4168399547099-8.60913168275.2020107
FA (19:1)Nonadecenoic acidME41687552925153-11.65384192295.2645958
FA (20:0)Arachidic acidME4167615282755C0642513.44066662311.2959271
FA (20:1)Eicosenoic acidME41682952926271-12.29331126309.2803376
FA (20:2)Eicosadienoic acidME416880--11.50037028307.264742
FA (20:3)Eicosatrienoic acidME41683352925023-10.76858054305.2489398
FA (20:4)Arachidonic acidME4168095283893C0021910.24961485303.2330074
FA (22:1)Docosenoic acidME41682810883396C0831613.73787572337.3116377
[FA (22:4)] 7Z_10Z_13Z_16Z-docosatetraenoic acidAdrenic acidME416838-C1652711.32061303331.2648305
FA (22:5)Docosapentaenoic acidME4168635283145-10.61388274329.2490994
FA (23:1)Tricosenoic acidME416874--14.51454041351.3270207
[FA (24:0)] 15Z-tetracosenoic acidNervonic acidME41686052931127C0832315.34961669365.3425233
[FA (26:0)] hexacosanoic acidCerotic acidME41679652924468-18.82895497395.3900493
[FA (34:2)] 1-octadecyl-11E-hexadecenoate-ME41690665037-21.33625816505.4996663
FA dimethyl(20:3)-ME41674252925622-12.200149333.280442
FA hydroxy(12:0) dodecanoic acidLauric acidME4167525281-4.347781083215.1652021
FA hydroxy(18:0)-ME4167315311263-7.352677917299.2593038
FA hydroxy(18:1)-ME41689811750429-4.695413043293.2124284
FA hydroxy(18:1)]-ME41685552926296-4.053351813313.2387279
FA hydroxy (18:2)-ME41692116061081-5.610710818295.2278023
FA hydroxy(18:2)-ME416819--5.519118933311.2228394
FA hydroxy(20:1)-ME41680252925710-7.33374642325.2750424
FA hydroxy(20:3)-ME416856--7.026278522321.243649
FA hydroxy(20:4)-ME41685442607483-6.716718038319.2278833
FA hydroxy(22:0)-ME4167818215-10.16677342355.3221605
FA methyl(14:0)-ME416879656759C166659.690812147241.2175918
FA methyl(16:1)-ME4168825282766-10.20416939267.2331627
FA methyl(18:0)-ME41689652925665-12.5906509297.2802479
[FA oxo(14:0)] 3-oxo-tetradecanoic acid3-Oxotetradecanoic acidME41676952925588-5.404792318241.1808917
FA oxo(14:2) cyclopentanebutanoic acid-ME41690952925309-4.402708573239.1653638
[FA oxo(16:2)] cyclopentanehexanoic acid-ME4169135282793-4.517020272267.196678
FA oxo(18:0)-ME41681142607475-5.877366666297.2434091
GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(...-ME41676652926294-13.979958061426.843026
GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(...-ME41688721672-15.389708131454.873
GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(...-ME416791--11.711936541370.781275
Ganglioside GD3 (d18:0/14:0)-ME41680110469-11.71097356707.8905814
Ganglioside GM3 (d18:0/16:0)-ME416815444899-15.492782231153.72345
ginsenoside Rh2-ME4169195365040-10.76006346621.437892
[GL (18:0/20:4)] 1-(9Z-octadecenoyl)-2-(5Z_8Z_11Z_...-ME41671915061530-13.99378001815.5327589
Hexadecanoic acidPalmitic acidME4167999547096C0024910.44360404255.2331081
HomophytanicacidHomophytanic acidME41684152927153-14.25888834325.3114378
indole-3-acetyl-methionine-ME416810--10.85084371305.0968591
LysoPE(20:1)LPE 20:1ME4168625282958-8.771115145506.3255897
LysoPE(20:5)LPE 20:5ME41673652925407-5.911731421498.2626126
LysoPE(22:5)LPE 22:5ME41682344256714-7.296132242526.2945097
MelampodininMelampodininME416824-C0950110.42066079521.1665075
MG(0:0/16:0/0:0)MG 0:0/16:0/0:0ME4168425282809-16.37935702329.2699073
MG(0:0/22:4(7Z_10Z_13Z_16Z)/0:0)MG 0:0/22:4(7Z,10Z,13Z,16Z)/0:0*ME4169265282352-7.855300043405.3015699
N-(2-hydroxypentacosanoyl)-phytosphingosine-ME41674752925587-21.2433541696.6522657
N-(2-hydroxy-tetracosanoyl)-tetradecasphing-4-enin...-ME416911154573334-10.06016068731.5698509
N-(2-hydroxytricosanoyl)-phytosphingosine-ME41674042607498-20.81089793668.6208616
N-(octadecanoyl)-1-beta-glucosyl-4E_6E-pentadecasp...GlcCer 15:2;O2(4E,6E)/18:0ME416733--20.56872976682.5269561
N-(octadecanoyl)-1-beta-glucosyl-pentadecasphing-4...GlcCer 15:1;O2/18:0ME41672352925808-20.86832784684.5426111
Octadecanoic acidStearic acidME41675152924465C0153011.88564593283.264166
PA(18:1(9Z)/0:0)PA 18:1(9Z)/0:0ME416730-C004166.763767759435.2518363
PA(18:2(9Z_12Z)/0:0)PA 18:2(9Z,12Z)/0:0*ME416780-C004165.906019888433.2361708
[PA(20:4(5Z_8Z_11Z_14Z)/0:0)] 1-(5Z_8Z_11Z_14Z-eic...-ME41673952925589-6.030950518457.2363553
Patellamide A-ME41688659720717C1573419.7005872741.321476
PC(21:0(CHO))-ME4168619543626-7.711318789592.3627757
PC(21:0(COOH))-ME41687752926280-6.291717152608.3569205
[PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phospho...LPE P-16:0 or LPE O-16:1ME41690052925149-7.715933408436.2839808
PE(16:2)PE 16:2ME41690452926233-7.49657473438.2993794
PE(17:0)PE 17:0ME41689142607467-7.600258561466.294526
PE(30:0)PE 30:0ME416715--14.64121377662.477269
PE(30:1)PE 30:1ME416714--13.76694566660.4614051
PE(32:1)PE 32:1ME41677852925810-14.95904252688.4919839
PE(34:0)PE 34:0ME41679452925125-17.18639231718.5404831
PE(36:0)PE 36:0ME416718447078-18.68207332746.570711
PE(36:5)PE 36:5ME4168085282951-14.96452791736.493558
PE(38:1)PE 38:1ME416785--19.23131727772.5865085
PE(38:2)PE 38:2ME41685152925469-18.53247864770.5715693
PE(40:4)PE 40:4ME416750--18.4267313794.571405
PE(40:5)PE 40:5ME416758--18.0374301792.5556013
PE(40:8)PE 40:8ME416792--15.53022691786.5086528
[PE(O-18:2)] 1-octadecyl-sn-glycero-3-phosphoethan...-ME4168835282815-8.96257951466.3299501
PE(O-20:0/0:0)PE O-20:0/0:0*ME416881543855-10.32754362494.3620944
PE(O-42:4)PE O-42:4ME416826--20.57674725808.6228455
PE(P-20:0)PE P-20:0ME41686823557187-10.50323975492.3462557
PE(P-20:0/22:4(7Z_10Z_13Z_16Z))PE P-20:0/22:4(7Z,10Z,13Z,16Z)*ME41684352925809-19.94574729806.607784
PE(P-42:6)PE P-42:6ME41679088113319-19.65321491802.5765225
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1...-ME416847--5.824857667483.2734243
PG(17:0/14:1)PG 17:0/14:1*ME416711--12.85658002722.4982754
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...-ME4168595460164-7.276492182511.3046515
PG(32:0)PG 32:0ME41672952926722-13.67782419721.503105
PG(34:0)PG 34:0ME41683452925349-14.88597261749.5337736
PG(34:1)PG 34:1ME41672852925386-14.15361348747.5192468
PG(36:1)PG 36:1ME41673469417-15.50282261775.5496668
PG(36:2)PG 36:2ME41677452925586-14.76326609773.5339768
PG(36:3)PG 36:3ME416775--14.02175716771.5173132
PG(36:4)PG 36:4ME41689752925864-13.73490804769.5023623
[PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'...-ME416903154874-5.416912399571.2890544
[PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'...-ME41688446907872-6.891393567599.3204999
PI(18:2)PI 18:2ME4169175385089-5.128024177595.2892375
[PI(20:4)] 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-g...-ME4168675281120-5.28851233619.2890393
PI(32:1)PI 32:1ME41674952926154-12.64275959807.5035856
PI(34:0)PI 34:0ME4167879546835-14.58788547837.5494306
PI(34:1)PI 34:1ME41672652925585-13.7119032835.5344217
PI(34:2)PI 34:2ME41681365076-13.59211452833.5185375
PI(34:3)PI 34:3ME416783193484-12.52072527831.5037414
PI(35:2)PI 35:2ME4169085312856-13.63638283847.5343821
[PI(36:0)PI 36:0ME41675652925951-14.72941294878.5765045
PI(36:1)PI 36:1ME41673269417-14.92620108863.5647341
PI(36:2)PI 36:2ME41682011953972-14.27121461861.5495221
PI(36:3)PI 36:3ME41682516061066-13.55618431859.5342495
PI(36:4)PI 36:4ME41680091746197-13.30175207857.5186141
PI(37:4)PI 37:4ME41687352925636-13.8882592871.5339849
PI(38:3)PI 38:3ME41676852931291-14.80906395887.5640885
PI(38:4)PI 38:4ME41676052924436-14.52915482885.54931
PI(38:5)PI 38:5ME41677352926069-13.752387883.5343573
PI(40:4)PI 40:4ME416770--15.52856015913.5812063
PI(40:7)PI 40:7ME41673752925146-13.70176621907.5341322
PI(P-33:1)PI P-33:1ME41683053480943-13.9423522805.5244595
Proscillaridin AProscillaridin AME41670952931497-9.654053345529.2815543
PS(18:0)PS 18:0ME41686452925448-7.014004287524.2994267
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...-ME416832--6.002859868522.2841206
PS(19:0/0:0)LPS 19:0/0:0ME4168483080668-5.717131715538.3152625
PS(20:0/0:0)LPS 20:0/0:0ME4168705282848-6.450056334552.3309596
[PS(20:4)] 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-g...-ME416805135369651-5.367669382544.2681786
PS(21:0/0:0)LPS 21:0/0:0ME41676452925243-7.212495619566.3466595
PS(22:0/0:0)LPS 22:0/0:0ME41689552931292-7.893327414580.3618363
PS(33:0)PS 33:0ME41672042607396-13.41512103748.5139498
PS(35:0)PS 35:0ME41674125200791-14.6168334776.5447101
PS(35:1)PS 35:1ME416762--13.82773602774.5293079
PS(36:0)PS 36:0ME41679552931289-15.27502635790.5610794
PS(36:1)PS 36:1ME4168789831416-14.46160862788.5447972
PS(36:3)PS 36:3ME41683111953936-13.6774268784.5143966
PS(36:4)PS 36:4ME416806--13.39580102782.4979797
PS(37:0)PS 37:0ME4167435312332-15.96251215804.5760842
PS(37:1)PS 37:1ME4168275283560-15.12076012802.5602789
PS(37:2)PS 37:2ME416755--14.39214783800.5447633
PS(37:3)PS 37:3ME41673552927224-14.05893164798.5292847
PS(38:0)PS 38:0ME416771454064-16.72814354818.5918621
PS(38:1)PS 38:1ME41689938357082-15.81547464816.5758556
PS(38:2)PS 38:2ME41686952925139-14.96179462814.5601403
PS(38:3)PS 38:3ME4167975282738-14.79257307812.5453074
PS(38:5)PS 38:5ME4168445469581-13.7858226808.5124474
PS(38:6)PS 38:6ME41677752926580-13.37733108806.4975657
PS(39:0)PS 39:0ME416724--17.4463636832.6073889
PS(39:1)PS 39:1ME416798445757-16.58161858830.5917646
PS(39:2)PS 39:2ME41678250990923-15.70852897828.5753424
PS(39:3)PS 39:3ME41676552926126-15.43985382826.560187
PS(39:4)PS 39:4ME41674452925625-14.66345156824.544662
PS(39:5)PS 39:5ME416727--13.99877889822.5296281
PS(40:0)PS 40:0ME416753139057051-18.24037108846.6231253
PS(40:1)PS 40:1ME416920--17.34654285844.6067565
PS(40:2)PS 40:2ME416892--16.36728755842.5914981
PS(40:3)PS 40:3ME41685752926103-16.16311718840.5755473
PS(40:5)PS 40:5ME41681811197-14.7523048836.544631
PS(41:0)PS 41:0ME41672552925354-18.86200516860.6390607
PS(41:1)PS 41:1ME416772--17.96530105858.6228529
PS(41:2)PS 41:2ME41674652925618-17.22044625856.6060066
PS(41:3)PS 41:3ME41674552925357-16.91995699854.5911379
PS(41:4)PS 41:4ME41676752925385-16.01646994852.5754102
PS(41:6)PS 41:6ME416738--14.59028123848.5445126
PS(42:2)PS 42:2ME41686642607484-18.05956998870.6229343
PS(42:3)PS 42:3ME4168885282805-17.71645705868.6077651
PS(43:0)PS 43:0ME4167223893-20.15595238888.6699349
PS(43:2)PS 43:2ME41677652927141-18.73497301884.6388883
PS(43:21)PS 43:21*ME4168365282767-19.67721499886.6543208
PS(43:6)PS 43:6ME41675497783-15.83101882876.5753507
PS(44:5)PS 44:5ME41688952925152-17.63230656892.6056609
PS(O-16:0/21:0)PS O-16:0/21:0ME41685052925124-16.87497857790.5966084
PS(O-37:1)PS O-37:1ME41691542607466-16.11999459788.581842
PS(O-39:0)PS O-39:0ME41676310467-19.5266236818.628635
PS(O-41:0)PS O-41:0ME41674825203454-19.89589253846.6599122
PS(P-18:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z))PS P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME41682223724565-18.31639792818.5325613
PS(P-20:0/21:0)PS P-20:0/21:0ME41678452925580-19.69293554844.6439916
PS(P-39:0)PS P-39:0ME416894157454-17.64433883816.6134874
PS(P-39:1)PS P-39:1ME41691210851-16.68055157814.5951916
Retinyl esterRetinyl esterME416852485475C020759.426782804301.2176908
Sapelin ASapelin AME41691842607326C0863410.961821473.3642684
soyasapogenol B-22-O-beta-glucoside-ME41692224779661-10.21417838619.4226912
[SP amino_trihydroxy_hydroxy_methyl_oxo(20:0)] 2S-...-ME4168905312300-8.550273083416.2661979
[SP] Sphing-4-enine-1-phosphateSphingosine 1-phosphateME41682153481191C061245.957654859378.2415444
[ST hydroxy(2:0)] (5Z_7E)-(1R_2R_3R)-2-(5-hydroxyp...-ME41691686289572-11.82283063501.395559
[ST hydroxy(4:0)] 1beta_3alpha_7alpha_12alpha-Tetr...-ME41680352925446-8.730938655423.2759513
[ST methy] 24-methylene-cholest-5-en-3beta-ol-3-su...-ME41691042607469-8.623290521477.304609
Stylisterol BStylisterol BME416914-C1415810.04880748445.3330998
TeasteroneTeasteroneME41692452926256C1579113.43345509447.3487796
Tetracosanoic acidLignoceric acidME4168129547086C0832016.94112609367.3583463
TG(12:0/12:0/12:0)TG 12:0/12:0/12:0ME41690186583376C0042210.20698498637.5419113
Thiocoraline-ME4168455497181C1572715.605235471155.232678
Tritriacontane-16_18-dione-ME4168935282787C0839421.17148865491.4837993


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