#METABOLOMICS WORKBENCH DovileAnderson_20210517_165800 DATATRACK_ID:2644 STUDY_ID:ST001796 ANALYSIS_ID:AN002917 PROJECT_ID:000000 VERSION 1 CREATED_ON May 20, 2021, 1:19 pm #PROJECT PR:PROJECT_TITLE Changes in mesenteric lymph lipid profile of mice upon high-fat diet with and PR:PROJECT_TITLE without Celecoxib PR:PROJECT_TYPE Untargeted lipidomics PR:PROJECT_SUMMARY Untargeted lipidomic profiling of mice mesenteric lymph upon HFD diet and HFD PR:PROJECT_SUMMARY supplemented with COX-2 inhibitor drug Celecoxib. It is proposed that Celecoxib PR:PROJECT_SUMMARY can rescue from negative morphological changes induced by obesity/HFD diet in PR:PROJECT_SUMMARY lymphatic system. PR:INSTITUTE Monash Institute of Pharmaceutical Sciences PR:DEPARTMENT Drug Delivery, Disposition and Dynamics PR:LABORATORY Trevaskis Lab, Creek Lab PR:LAST_NAME Anderson PR:FIRST_NAME Dovile PR:ADDRESS 399 Royal Pd PR:EMAIL dovile.anderson@monash.edu PR:PHONE +61448671141 PR:FUNDING_SOURCE Department of Health | National Health and Medical Research Council (NHMRC) - PR:FUNDING_SOURCE 1100036 [Trevaskis] PR:PROJECT_COMMENTS This lipidomics project is part of a larger obesity/lymph research as described PR:PROJECT_COMMENTS in the manuscript PR:PUBLICATIONS Manuscript NATMETAB-A20022406A Mesenteric lymphatic dysfunction promotes insulin PR:PUBLICATIONS resistance and represents a potential novel treatment target in obesity PR:CONTRIBUTORS Dr Enyuan Cao , Matthew Watt , Cameron Nowell , Dr Tim Quach , Jamie Simpson , PR:CONTRIBUTORS Ms Violena Ferreira , Sonya Argawal , Hannah Chu , Anubhav Srivastava , Dr PR:CONTRIBUTORS Dovile Anderson , Gracia Gracia , Alina Lam , Gabriela Segal , Jiwon Hong , Dr PR:CONTRIBUTORS Luojuan Hu , Kian Lium Phang , Alistair Escott , Professor John Windsor , PR:CONTRIBUTORS Anthony Phillips , Darren Creek , Professor Natasha Harvey , Professor PR:CONTRIBUTORS Christopher Porter #STUDY ST:STUDY_TITLE Changes in mesenteric lymph lipid profile of mice upon high-fat diet with and ST:STUDY_TITLE without Celecoxib ST:STUDY_TYPE Untargeted lipidomics analysis ST:STUDY_SUMMARY Untargeted lipid profiling of mesenteric mice lymph from mice fed with CHOW, HFD ST:STUDY_SUMMARY and HFD supplemented with COx-2 inhibitor drug Celecoxib. It is proposed that ST:STUDY_SUMMARY Celecoxib can protect from deleterious morphological changes in lymphatic system ST:STUDY_SUMMARY caused by obesity due to HFD. ST:INSTITUTE Monash Institute of Pharmaceutical Sciences ST:DEPARTMENT Drug Delivery, Disposition and Dynamics ST:LABORATORY Trevaskis Lab, Creek Lab ST:LAST_NAME Anderson ST:FIRST_NAME Dovile ST:ADDRESS 6 Anderson ST:EMAIL dovile.anderson@gmail.com ST:PHONE 8671141 ST:NUM_GROUPS 4 ST:TOTAL_SUBJECTS 20 ST:NUM_MALES 20 ST:PUBLICATIONS Manuscript NATMETAB-A20022406A Mesenteric lymphatic dysfunction promotes insulin ST:PUBLICATIONS resistance and represents a potential novel treatment target in obesity #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL6/J SU:AGE_OR_AGE_RANGE 6-7 weeks SU:GENDER Male SU:ANIMAL_HOUSING temperature-controlled room under specific-pathogen free (SPF) or standard SU:ANIMAL_HOUSING animal housing conditions with free access to food and water SU:ANIMAL_FEED semi-purified normal chow diet (control fat diet (CFD), 7% w/w fat and 16% total SU:ANIMAL_FEED energy from fat; AIN93G, Specialty Feeds Pty Ltd, Australia) or high fat diet SU:ANIMAL_FEED (HFD, 36% w/w fat and 59% total energy from fat; SF03-002, Specialty Feeds Pty SU:ANIMAL_FEED Ltd, Australia) SU:ANIMAL_WATER ad libitum #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - cele_HFD_1 Treatment:cele_HFD RAW_FILE_NAME=cele_HFD_1 SUBJECT_SAMPLE_FACTORS - cele_HFD_2 Treatment:cele_HFD RAW_FILE_NAME=cele_HFD_2 SUBJECT_SAMPLE_FACTORS - cele_HFD_3 Treatment:cele_HFD RAW_FILE_NAME=cele_HFD_3 SUBJECT_SAMPLE_FACTORS - cele_HFD_4 Treatment:cele_HFD RAW_FILE_NAME=cele_HFD_4 SUBJECT_SAMPLE_FACTORS - cele_HFD_5 Treatment:cele_HFD RAW_FILE_NAME=cele_HFD_5 SUBJECT_SAMPLE_FACTORS - Cele_pro_HFD_2 Treatment:Cele_pro RAW_FILE_NAME=Cele_pro_HFD_2 SUBJECT_SAMPLE_FACTORS - Cele_pro_HFD_3 Treatment:Cele_pro RAW_FILE_NAME=Cele_pro_HFD_3 SUBJECT_SAMPLE_FACTORS - Cele_pro_HFD_4 Treatment:Cele_pro RAW_FILE_NAME=Cele_pro_HFD_4 SUBJECT_SAMPLE_FACTORS - CFD_1 Treatment:CFD RAW_FILE_NAME=CFD_1 SUBJECT_SAMPLE_FACTORS - CFD_2 Treatment:CFD RAW_FILE_NAME=CFD_2 SUBJECT_SAMPLE_FACTORS - CFD_3 Treatment:CFD RAW_FILE_NAME=CFD_3 SUBJECT_SAMPLE_FACTORS - CFD_4 Treatment:CFD RAW_FILE_NAME=CFD_4 SUBJECT_SAMPLE_FACTORS - HFD_1 Treatment:HFD RAW_FILE_NAME=HFD_1 SUBJECT_SAMPLE_FACTORS - HFD_2 Treatment:HFD RAW_FILE_NAME=HFD_2 SUBJECT_SAMPLE_FACTORS - HFD_3 Treatment:HFD RAW_FILE_NAME=HFD_3 SUBJECT_SAMPLE_FACTORS - HFD_4 Treatment:HFD RAW_FILE_NAME=HFD_4 SUBJECT_SAMPLE_FACTORS - HFD_5 Treatment:HFD RAW_FILE_NAME=HFD_5 SUBJECT_SAMPLE_FACTORS - HFD_6 Treatment:HFD RAW_FILE_NAME=HFD_6 SUBJECT_SAMPLE_FACTORS - HFD_7 Treatment:HFD RAW_FILE_NAME=HFD_7 #COLLECTION CO:COLLECTION_SUMMARY The efferent mesenteric lymphatic duct was cannulated in isoflurane CO:COLLECTION_SUMMARY anaesthetised non-fasted mice or rats and lymph fluid was collected for up to 4 CO:COLLECTION_SUMMARY h. For the lymphatic drug transport study, lymph was collected in mice that were CO:COLLECTION_SUMMARY fasted for 3-4 h. The mesenteric lymph duct cannulation was performed as CO:COLLECTION_SUMMARY described previously in rats4 and mice5 and mesenteric lymph fluid was collected CO:COLLECTION_SUMMARY continuously for up to 6 h. CO:SAMPLE_TYPE Mesenteric lymph CO:STORAGE_CONDITIONS -80? #TREATMENT TR:TREATMENT_SUMMARY Celecoxib was incorporated into HFD feed at a dose equivalent to ~29 mg/kg/day TR:TREATMENT_SUMMARY (based on average food intake). Mice were fed for 15 weeks CFD diet (one group) TR:TREATMENT_SUMMARY and HFD diet (three groups). After 15 weeks two of the HFD groups were switched TR:TREATMENT_SUMMARY on HFD diet supplemented with Celecoxib and Celecoxib prodrug while other two TR:TREATMENT_SUMMARY groups continued unchanged CFD and HFD diets. Analysis at 22-34 weeks. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For lipidomics analysis, lipid was extracted from mesenteric lymph by SP:SAMPLEPREP_SUMMARY chloroform:methanol (1:3). Samples were vortexed for 1 h at 4°C and then SP:SAMPLEPREP_SUMMARY centrifuged at 16,000 g for 10 min. Supernatant was carefully transferred to SP:SAMPLEPREP_SUMMARY another tube and stored at -80°C until analysis. Before LC-MS analysis, the SP:SAMPLEPREP_SUMMARY extract was dried with nitrogen and reconstituted in 20 µl water and 180 µl SP:SAMPLEPREP_SUMMARY butanol-methanol (1:1 v/v). The reconstituted extract was vortexed (Vortex SP:SAMPLEPREP_SUMMARY mixer, Ratek) for 200 sec with 20 cycles of 5 sec spin and 20 sec vortex. The SP:SAMPLEPREP_SUMMARY extract was sonicated in a water bath for 1 hour which was maintained at <20°C SP:SAMPLEPREP_SUMMARY by sonicating the samples on ice. The samples were then centrifuged for 10 min SP:SAMPLEPREP_SUMMARY at 16,000 g and the supernatant was transferred to LC-MS vials and stored at SP:SAMPLEPREP_SUMMARY 4°C prior to analysis. SP:PROCESSING_STORAGE_CONDITIONS 4? SP:EXTRACT_STORAGE -80? #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Lipidomics analysis was performed using reversed phase liquid chromatography and CH:CHROMATOGRAPHY_SUMMARY high-resolution mass spectrometry. Samples (10 µl) were injected onto a Dionex CH:CHROMATOGRAPHY_SUMMARY Ultimate 3000 UHPLC system (Thermo Scientific, Australia) fitted with an CH:CHROMATOGRAPHY_SUMMARY analytical C8 column (100 x 2.1 mm; 2.7 µm, Sigma Aldrich, Australia). CH:CHROMATOGRAPHY_SUMMARY Chromatography was performed using solvent A (2 mM formic acid, 8 mM ammonium CH:CHROMATOGRAPHY_SUMMARY formate, 40% v/v isopropanol) and solvent B (2 mM formic acid, 8 mM ammonium CH:CHROMATOGRAPHY_SUMMARY formate, 98% v/v isopropanol) as mobile phases with a 30 min gradient starting CH:CHROMATOGRAPHY_SUMMARY at 0% B and increasing to 35% B from 0 to 8 min, then to 50% B from 8-16 min, CH:CHROMATOGRAPHY_SUMMARY then to 80% B from 16-19 min, then finally to 100% B by 23 min. 100% B was CH:CHROMATOGRAPHY_SUMMARY maintained for a further 3 min before equilibrating to 0% by 28 min and washing CH:CHROMATOGRAPHY_SUMMARY for a further 2 min. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 RS CH:COLUMN_NAME Sigma Aldrich, Supleco, C8, 100 x 2.1 mm; 2.7 µm CH:FLOW_GRADIENT 0 min - 0%B, 8 min - 35%B, 16 min - 50%B, 19 min - 80%B, 23 min 100%B, 26 min - CH:FLOW_GRADIENT 100%B, 28 min - 0%B CH:FLOW_RATE 0.2 ml/min CH:COLUMN_TEMPERATURE 40C CH:SOLVENT_A 2 mM formic acid, 8 mM ammonium formate, 40% v/v isopropanol CH:SOLVENT_B 2 mM formic acid, 8 mM ammonium formate, 98% v/v isopropanol CH:INJECTION_TEMPERATURE 4 CH:ANALYTICAL_TIME 30 min CH:OVEN_TEMPERATURE 40C CH:SAMPLE_LOOP_SIZE 25 uL CH:SAMPLE_SYRINGE_SIZE 25 uL #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Creek Lab AN:DETECTOR_TYPE orbitrap AN:SOFTWARE_VERSION XCalibur AN:DATA_FORMAT .RAW #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Pos and neg data were acquired during the same chromatographic run using MS:MS_COMMENTS polarity switching. Full scan acquisition mode, resolution 140k, AGC target 3e6, MS:MS_COMMENTS max IT 200 ms, mass range 140-2000 m/z, number of scans 1 MS:MASS_ACCURACY 3 ppm MS:AUTOMATIC_GAIN_CONTROL 3e6 MS:DESOLVATION_GAS_FLOW 34 MS:INTERFACE_VOLTAGE 3.5 kV #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS height MS_METABOLITE_DATA_START Samples cele_HFD_1 cele_HFD_2 cele_HFD_3 cele_HFD_4 cele_HFD_5 Cele_pro_HFD_2 Cele_pro_HFD_3 Cele_pro_HFD_4 CFD_1 CFD_2 CFD_3 CFD_4 HFD_1 HFD_2 HFD_3 HFD_4 HFD_5 HFD_6 HFD_7 Factors Treatment:cele_HFD Treatment:cele_HFD Treatment:cele_HFD Treatment:cele_HFD Treatment:cele_HFD Treatment:Cele_pro Treatment:Cele_pro Treatment:Cele_pro Treatment:CFD Treatment:CFD Treatment:CFD Treatment:CFD Treatment:HFD Treatment:HFD Treatment:HFD Treatment:HFD Treatment:HFD Treatment:HFD Treatment:HFD Androstane-3_17-diol dipropionate 35064.00391 32167.0293 54748.60156 44335.41797 47257.51563 33587.80859 30984.58203 32669.11328 50451.4375 40752.63672 52084.66406 29840.42578 52626.12109 43216.89844 27013.59766 56217.57031 50148.67188 35715.28516 37452.1875 di-n-Undecylamine 42337.36328 24926.45313 248632.6875 555201.75 191450.25 27580.47852 21282.67383 15115.41699 0 18028.50391 39432.69922 26758.67383 43031.03906 37898.34375 24094.81445 29570.5 32752.4707 0 0 TG(20:5/22:6/20:5)(D5) 0 140658.6406 64487.68359 189778.5469 187920.4844 0 0 0 148495.4844 450935.4688 277239.2813 0 0 0 160083.6719 0 48801.57813 70737.88281 334456.8125 1-O-Octadec-9-enyl glycerol 554193.6875 260353.0313 533279.8125 507990.4375 573247.0625 604357.75 496199.375 418737.7188 541326.0625 651150.625 809714.625 449066.0625 656260.0625 539933.1875 204654.9375 570187.8125 428792.625 855999.375 4651766 4a-carboxy-5a-cholesta-8-en-3ß-ol 122432.7188 69115.3125 136744.2656 213208.7656 456209.75 58542.08594 37801.47656 24975.46094 0 7948.5 172958.1406 43001.91797 789483.5625 141702.4531 50173.8125 186350.2188 215314.9844 66956.91406 243503.625 Antibiotic TA 1196450.625 122081.2891 235453.4375 340892.7188 291433.5 87605.61719 123358.8828 69784.05469 310595.4375 866840.5625 1615707 431497.3438 303758.375 253943.4219 144204.75 695438.0625 274413.4688 144124.1563 102656.7188 5-(Heptadec-12-enyl)resorcinol 1719898.875 110310.4063 2626380.75 1630385.25 2413108.25 263781.5 367285.3438 222231.5313 194496.4844 179899.4688 2101547 382633.9063 1817994.875 1644300.5 234848.1875 3899051.75 1347108.875 351777.8125 727794.8125 4a-carboxy-4ß-methyl-5a-cholesta-8-en-3ß-ol 604256.1875 297055.25 387085.0938 763656.9375 3929710.75 99123.08594 82624.07813 53456.00391 1176766.375 1873615.125 3332244.75 74887.45313 2226056.25 1084592.375 178335.5313 1056108.5 1895498.75 321073.3438 1018543.063 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11_20-dione 480016 1684406.25 310084.25 2293781 226155.7969 23387.36719 23845.85547 12330.24902 886933.625 405874.7813 641892.8125 28005.30469 846788 567462.5 1965174 889667.5 735524.5625 533580.375 911675.6875 9-Hexadecenoylcholine 2233454.75 120767 2044794.875 1079036.375 1777790.75 193394.8125 310688.5625 201971.5469 398601.0625 310240.3125 3101775.75 493867.4375 1282938.875 1214204.375 226638.375 2306301.25 992240 286458.4375 732847.375 7_10_13_16-Docosatetraenoylethanolamine 243297.4688 109261.9531 515081.75 357245.5938 455235 51325.03125 82014.78125 44103.51953 46822.48047 53564.30078 382992.0313 64331.35547 258935.4688 260630.2969 192869.1875 493556.1875 286924.9688 62772.70313 208748.3438 2-Hydroxylauroylcarnitine 1878458.875 58210.14844 1276701.625 621895.625 781588.9375 104559.0156 180736.5469 142347.8906 244251.2344 204749.8438 1433826.625 328435.4688 425619.1875 431707.375 114733.5078 879363 309596.1875 72312.50781 182692.8906 4a-hydroxymethyl-4ß-methyl-5a-cholesta-8_24-dien-3ß-ol 819012.9375 369254.6563 671243 1227650 1824540.25 112162.0391 112425.8047 71062.58594 1658409.375 11700000 3620370 138653.1875 908765.3125 628286.875 479919.1875 1221590.875 1035385.688 494571.125 614120.5625 octyl 2-acetamido-2-deoxy-a-D-glucopyranoside 135374.8125 116622.4922 45654.00391 26448.04102 35053.03516 1543512.75 1595885.75 1683150.25 117231.6641 211429.6719 259760.8438 1334497.625 34490.69922 35867.29297 114409.8125 0 72956.59375 40059.51172 114690.5547 3-Hydroxy-5_ 8-tetradecadiencarnitine 447730.5938 14090.74609 313824.0625 231421.3438 296722.375 49228.34766 73667.42969 38796.08984 40379.55078 27435.125 267532.8438 64666.75391 123810.25 243435.125 49304.58594 389531.125 118902.6172 44157.40234 75966.97656 TG(14:0/16:1/14:0)(D5) 1078718.875 1387637.25 1159633.125 1492996.5 1507963.625 184032.8281 80018.02344 102007.7813 337556.9375 886279.0625 554711.4375 32706.08594 1904101.25 1349990.5 694792.0625 1443149.375 1191952.75 665800.1875 842926.375 5_6_7_8-Tetrahydro-2-naphthol 13846.6582 5283.976074 28371.32422 18265.41016 10001.50684 55714.6875 56977.92188 40106.57422 11542.43359 12607.33203 11051.1582 56919.72656 0 15459.65918 8924.90332 0 5289.700195 0 0 5beta-Estrane-3alpha_17beta-diol 23866.20703 28079.80469 25414.91602 29791.09961 57880.35547 31142.09375 29143.05859 31112.40625 346192.0313 991749.75 232504.4219 29423.41406 0 19651.94141 39106.07031 41554.60547 41224.87891 40093.55859 32748.11719 3-Hydroxy-palmitic acid methyl ester 946075.3125 979036.5625 845241.625 1076496.75 842761.1875 2565840.75 2346659.25 2467102 8045146.5 5099015.5 3572148.5 2441506.25 989571.125 1162098.75 948945.875 1255557.625 760102.4375 5600544.5 959293.3125 CTAB 172833.3125 118363.6484 441546.1563 588348.1875 233492 107496.0313 97557.67969 65179.71484 42932.03125 96813.78906 162209.2656 84676.53125 195798.8438 195217.2031 86052.07031 166505.4219 159668.5156 29198.65234 26740.86719 2-heneicosanone 0 0 0 0 0 0 3710.70752 0 0 0 0 0 0 0 0 0 0 0 0 sn-1_2-Di(2-propylpentanoyl)glycerol 1523521.5 101939.4375 1427420 579776.875 791074.3125 184002.1094 179153.4219 195135.1094 202337.0469 97096.88281 780260.5 200006.5313 608793.0625 581224.5 141575.1406 895031 400190.3438 121061.2109 460931.1563 docosanal 0 0 0 31273.19922 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1_2-dioctanoyl-1_2_6-hexanetriol 706545.6875 341499.3125 668827.625 488058.3438 703666.9375 1482813.875 1326314.125 1222353.375 987369.375 1054276.125 1369586 1523088.125 649226.625 649586.9375 314426.25 589811.75 506354.4375 207273.6719 329513.9688 (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1_2_3_4-tetrahydro-1- naphthol 57753.35938 57662.76953 48607.0625 44720.30859 48566.93359 93446.30469 92028.20313 102263.2656 764691.3125 1230989.625 834658.8125 98663.49219 49476.47656 46046.39453 45866.70703 56176.82422 47071.75 66471.03906 178947.7188 4-Hexyloxyphenol 97534.78125 38444.41016 288591.2188 206387.0313 255200.5469 63524.71484 73154.00781 47856.20313 43616.16406 37394.80859 145855.6406 74126.40625 213470.4844 195876.6563 46009.63281 306641.5938 136252.8438 67891.13281 119980.0313 17-Propyl-5alpha-androst-2-en-17beta-ol 102419.3438 59211.27734 248228.9531 255746.7188 186641.9531 113179.1953 82185.88281 83434.33594 140683.8906 66658.30469 86701.09375 81001.35938 176497.2656 221200.5781 62816.83203 171032.8438 146269.9844 204243.1875 307323.5313 Himbacine 15800000 13800000 25600000 43200000 27600000 17200000 11600000 8343066.5 16500000 20100000 24700000 9122329 17600000 25300000 18100000 35300000 19000000 21600000 18900000 Precocene 2 245088.2031 134798.7969 211710.5469 162415.4688 175893.8125 600618.3125 563499.0625 544442.0625 222803.9531 210715.8594 196980.2188 574179.25 237991.1875 212254.7813 146741.7188 209352.875 176448.7031 193397.7969 183799.3594 ubiquinol-1 354191.3438 143183.3594 272465.375 235389.7344 274892.8125 857901.875 828030.375 778208.1875 292051.9688 297512 302735.0938 822243.0625 320633.0313 274314.2188 179974.2969 308800.7813 241115.7969 276864.9688 286098.8125 4a-formyl-4ß-methyl-5a-cholesta-8-en-3ß-ol 3246739 1328235.125 3345049.5 5643271 4429992 548926.3125 442682.0625 231880.3906 11100000 14900000 19600000 699525.9375 6914331 3615244.75 1315784 5769982 4265192.5 1966097.5 2029994 4_4-dimethyl-14a-hydroxymethyl-5a-cholesta-8-en-3ß-ol 40901.09375 45192.98828 92235.38281 82277.28125 52536.87109 20684.21484 22712.35156 24084.9707 15693.83203 0 23223.13086 6663.408691 159570.9219 77388.90625 20215.30273 69371.5625 64758.00391 39090.25391 31705.57617 4-Heptyloxybenzoic acid 127320.9453 42991.875 0 73932.125 88396.125 500627.4688 499820.5313 381705.4063 47702.54297 60031.98047 301123.9375 391749.5938 0 0 56169.47266 0 0 57259.09375 132483.3594 Deoxygomisin A 666601.25 974418.4375 1031650.688 810203.375 925069.8125 7540236 7980569 6508782 1751985.625 2665522 1526906.875 7502565 865985.75 1067712.125 1292891.25 1165436 1105398.125 862888.875 784577.75 9_12-Hexadecadienoylcarnitine 954133.5625 687399.4375 1750685.625 2146192.25 1518359.375 894236.8125 484093.2813 512742.3438 805792.25 1815048.375 2945809.75 1034437.75 1655758.5 860204.3125 779763.4375 1876080.625 1866755.125 552027.5625 1347596.625 2_3-Dihydroxycyclopentaneundecanoic acid 287544.125 414740.0938 351478.25 327226.75 410015.875 590038.375 851900.5 495595.2188 385170.7813 1039728.188 326926.5313 365994.125 312249.0938 495014.5938 296362.9063 361322.1563 475773.4063 386709.4063 440681.4688 3-Methoxy-5_10-seco-5_19-cycloandrosta-1(10)_2_4-trien-17-one 24947.71289 25653.79883 35844.14453 66781.89063 56555.66406 203657.9219 315661.8438 114599.8125 32893.61719 57843.48047 33908.81641 108864.7422 285534.0938 102017.4844 76397.92188 173196.6563 174591.625 147675.7031 50094.42578 TG(20:2/18:3/20:2)(D5) 486781.5313 339522.7188 311578.4688 431697.0313 303113.625 137741.9375 56765.18359 72933.8125 217577.2656 549653.875 739774.8125 53315.48828 328007.9063 304726.1563 282165.6563 343949.125 304090.0313 215975.5625 320540.4375 alpha-Curcumene 220092.875 16818.61914 323334.9375 238998.3594 275167.6875 60294.11719 78760.07813 45287.74609 25857.04102 19390.98633 202845.2969 63896.85547 203002.3594 273011.375 34310.92969 397762.5938 175205.625 56545.37891 105237.4844 1_2-dioctanoyl-3-methyl-1_2_3-butanetriol 330890.8438 424948.375 478753.6563 418747.6563 319362.5625 776791.3125 688625 658865.125 466516.0938 451287.5 342544.125 647289.5 552610.6875 475542.875 315743.8125 374892.375 416743.9688 582347.8125 670163.5 beta-Tocotrienol 301111.5313 105227.7422 81312.97656 83330.13281 63145.46484 50297.80078 51244.69922 49073.18359 49057.12891 40182.91016 223375.4219 141617.6094 105197.5625 83084.9375 57554.68359 98149.23438 94872.8125 38831.91797 53423.86328 Oleic acid methyl ester 390434.0938 144359.5156 683728.6875 444705.5625 488720.7813 386172.5938 426806.7188 333477.1875 307586.5625 332075.9375 392761.7188 338824.8438 600477.25 561594.125 145132.125 807245.625 411317.25 202015.4063 328305.5 5alpha_17alpha-Pregn-2-en-20-yn-17-ol acetate 0 0 0 0 0 0 0 0 262222.25 432976.125 246387.0469 0 0 0 0 0 0 0 0 Methyl acetyl ricinoleate 4345427.5 1745204.75 6366686 3514263.75 2351667.75 1960699.375 1746041.625 1702969.25 8298630 15000000 17200000 10500000 5713117 1924358.625 2178732 3409701.75 4281245 1086320.625 2769386.25 DG(1_3-19:0)(D5) 174652.7969 214275.4375 222951.0313 383087.5938 318113.1875 0 0 0 103610.9844 171297.6406 160974.1875 0 190934.0469 219193.0625 213837.9219 202089.6875 215054.5 119116.9922 198142.5625 trans-Hexadec-2-enoylcarnitine 332417.9688 204941.6406 719499 593771.3125 412428.8438 249732.2656 243129.2188 152048.8281 361198.8438 1026647.25 1011780.625 370705.5625 484713.5625 306486.7813 248826.1406 689001.375 513734.875 197361.75 426509.25 myristic amide 171432.3438 231875.4219 102086.4531 129550.3281 213135.4375 360917.7813 362144.8125 368827.0938 360332.75 371206.0313 325802.4063 385360.6563 168194.7031 210519.8594 184341.3281 129651.1094 171105.125 523451.125 183484.0156 DG(1_3-20:2)(D5) 1074147.5 1215905.5 1373461.75 1962183.375 1754357.75 28059.47852 0 12151.05469 717383.4375 1094171.375 977178.5 18844.33984 961180.1875 1260205.875 1386964.875 1405914.375 1259897.125 901047.25 1379172.625 DG(1_3-20:4)(D5) 852254.6875 1124878.25 887680.5 1202754.875 1011822.313 31686.96484 24824.86523 24461.11719 737889.125 1118089.375 797159.5625 35188.75391 842541.875 881628.75 1073325.75 923728.0625 1008579.188 774781 1048467.125 Cinegalline 173638.9688 145982.7344 148371.8125 126525.7188 137127.6406 767168.5 609997.25 555843.8125 183078.5313 230053.7969 204766.0156 618477.9375 152403.5313 150527.5625 151433.1719 153076.9688 143994.1719 174111.9375 102102.0391 Falcarindiol 190085.1875 53903.41406 352332.1875 193905.8281 311902.8125 68409.11719 79133.71094 67485.75 67054.47656 58736.24219 193016.6406 76362.71094 187262.8438 212570.5156 59779.46875 406004.6875 177610.8281 94617.53906 137362.2188 Zwittergent 3-14 58678.98828 79163.29688 85890.30469 69828.78125 45145.53125 15385.55371 27943.3457 12349.95117 19284.14258 13819.16504 39295.09766 46581.73047 106000.2344 63629.98047 34103.46094 69245.9375 104603.0469 46265.92969 59406.60547 3_ 5-Tetradecadiencarnitine 166931.2031 143198.7813 80768.72656 130303.8594 139391.0781 202897.9219 240567.7344 219683.9375 202776.7969 184547.875 163803.6094 224891.1563 183174.25 113108.3594 139423.7813 142520.8125 139985.7031 129732.5703 155211.4531 Thymyl acetate 223088.2813 51369.34375 231468.75 230421.8281 293084.0938 74623.46875 91023.24219 71314.63281 57459.68359 66954.11719 167471.7031 69725.70313 169841.2344 174091 66296.9375 324534.875 163348.625 92551.07813 124960.1484 Latia luciferin 311587.4063 80848.83594 156916.0938 165737.625 123167.8281 96341.57031 131039.0078 85203.80469 309065.6875 165238.9219 331370.75 282674.8438 349701.5313 204933.2344 67814.8125 373393.0938 192761.1406 126699.8984 104521.5078 (9S_10S)-9_10-Dihydroxyoctadecanoate 796154.5 612673.875 719940.1875 617988.375 628177.125 948128.8125 1207269.625 909281.9375 716521.875 975272.625 839786 2187154.5 839797.375 730842.8125 443288.8125 670000.5625 516014.3125 622323.1875 856581.25 Khellol glucoside 110739.1484 68370.52344 138847.75 102305.4297 129556.8516 506859.7813 510179.1563 657785.5 141278.8125 192827.7031 115962.0313 105505.8125 127686.9609 134633.7969 74280.54688 131212.3438 112565.6875 76457.86719 84209.04688 4a-formyl-5a-cholesta-8-en-3ß-ol 53016.03906 25341.75586 78705.44531 98900.96094 163482.3906 24787.63867 10077.80762 13357.16113 21253.07227 16456.56445 63710.16406 10186.79785 299561.3125 56672.58984 22096.23633 59382.15234 76525.29688 54452.02734 95322.13281 anhydroretinol 175799.3594 223117.3906 275078.0625 352707.2813 366397.5625 23923.91992 31284.95117 27136.14844 0 38278.29688 62220.12891 0 150211.625 533636.4375 299660.2188 467095.5938 349229.875 297487.6875 241792.6094 3-Hydroxy-11Z-octadecenoylcarnitine 81637.25 96257.49219 113183.9297 164731.2031 124034.2344 173554.8594 149425.75 127263.9219 37235.32031 104635.6406 66845.625 63440.12891 226789.2344 141943.9844 135839.4375 187456.9844 237292.0781 123902.0313 27705.64063 Barringtogenol C 116050.6719 86499.72656 162732.4375 175391.7969 149858.3906 238899.5625 179888.5469 172824.9531 119219.6172 78883.67188 137223.4531 87788.29688 229937.6094 138820.2969 133072.0938 156829.0156 172239.6719 118994.7734 93740.38281 Geranylgeraniol 49098.67578 30357.19727 60008.42969 56252.55859 54340.37891 38061.09766 93327.26563 41823.14844 50419.83594 72494.34375 86175.32031 51755.72266 74467.03906 69520.46875 34252.22266 71093.54688 53402.38672 38299.08594 37901.29688 Sphinganine(d17:0)Ê 3471845.5 3604798.25 2774081.25 3400480.75 2963546.5 3221217 3183069.75 3602349.5 1535675.125 2656835 2328360.75 3063899.25 4075294.5 3586536 2942307 3032472 3409261.75 2096653.75 2469857 Hexadecenal 10600000 7874633 8981421 8065892.5 7696044 8274154.5 9008739 7948158.5 6186886.5 7217595 6739433.5 7861120.5 12600000 10600000 5890399.5 9169505 7795013 6408904.5 8747144 Isococculidine 35542.56641 26375.0625 73960.58594 35230.83984 58596.69531 171713.1563 248363.8281 166677.5938 134872.6719 172851.0625 165902.0156 186223.3281 30561.72461 56272.35547 34042.09375 49183.03125 39993.82031 15627.33398 14714.06836 3-Hydroxyhexdecanedioyl-CoA 228305.5313 285559.5 302880.5313 278541.5 311325.6875 277524.3438 235229.5625 268541.6875 230399.9063 255470.2969 285898.4063 235275.5313 340943.875 407970.5 268105.4375 263345.6875 264263.7813 311134.7188 294419.4688 N-(2-hydroxytridecanoyl)-4_8-sphingadienine 29293.13086 15962.54004 33902.25 40364.77344 35478.15234 12541.77539 19605.16211 14614.42773 0 13688.76367 18047.34375 14182.81152 47521.53516 32949.11328 14659.18457 41704.12891 32604.08594 19264.66016 19792.30664 Hentriacontane-14_16-dione 70547.36719 138192.8438 41304.14063 139339.8281 39944.38281 41353.28906 24045.53125 9611.638672 81811.3125 51864.62109 50473.02344 9338.316406 193820.9688 132867.9063 71385.32031 105216.1484 50223.82422 21246.18359 57769.91016 Myxalamid S 759035.125 610869.1875 1866095.25 2274171.5 1294504.375 695229.125 358792.0313 323730.6875 461393.25 1219251.875 1587341.875 506772.3438 1251002.875 964899.5625 782594.5 1677964.875 1645101 480854.9688 1020960.563 22alpha-Hydroxy-campest-4-en-3-one 508313.875 0 149584.1875 133275.6563 114017.1563 0 0 0 244735.7656 339926.25 773588.6875 279221.6875 161165.8281 40424.10156 0 110053.4688 113415.9453 205573.625 0 Capsidiol 221426.6563 34616.26172 373992.5625 235086.5313 334945.2813 62067.30078 76324.52344 46057.90234 32681.36914 43468.42969 203734 80242.42969 293922.9688 266930.1563 47248.76563 363869.2188 141542.0625 168466.3906 114236.3828 Aristolochene 123461.3438 8151.575684 100704.2656 144087.7344 172885.7656 19427.38672 22623.79883 19233.36914 15809.21191 13712.47949 72339.60156 19908.35547 120829.375 133073.4531 17419.35156 223393.8281 56948.83203 26433.2207 34796.60938 Veatchine 69496.66406 132387.0156 225907.5938 332190.375 234341.8438 85706.39844 69791.07813 43004.26953 60845.55078 68446.59375 114329.8359 48866.98438 107090.1719 200190.8594 173287.6406 312258.6875 148965.9688 189806.5781 172043.8906 3-Dehydro-2-deoxyecdysone 349308.25 0 0 0 0 0 0 0 156249.2344 49122.36719 194455.9531 191129.7656 0 0 0 0 0 8152.70459 0 1-4-beta-D-Glucan 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Cholesta-5_7-dien-3beta-ol 1120599 459840.8438 617925.25 909688.9375 646335.5625 56631.80859 72653.97656 43282.58203 821739.3125 667761.9375 892415.4375 74121.28906 617449.875 557533 419016.25 1005849.688 722717.3125 6523902 377628.0938 Ergosta-5_7_22_24(28)-tetraen-3beta-ol 314361.25 450184.375 835639.0625 1206374.5 695806.25 29633.76953 47167.83203 26912.94922 52796.21094 41061.29297 155591.0313 16882.15625 808422.9375 736056.1875 256252.7969 1233970.875 962033.9375 305345.5625 333631 4-8dimethylnonanoylcarnitine 115509.3047 178110.9531 210763.4063 165729.5156 114245.4453 197330.7344 189013.8594 149597.3125 302817.2188 175595.7656 130478.7422 128822.5078 279303.0625 173782.6875 114284.3516 176088.4688 205954.9688 196516.8594 96911.25781 3-Keto-4-methylzymosterol 61535.59375 158432.5938 313833.625 236563.2188 136631.7344 8040.291504 11728.2373 12707.12305 15119.27832 22183.04297 39176.06641 11604.33203 274197.5 155390.0313 52965.44531 172890.9219 190829.3906 72999.89844 124025.2031 3 beta_7 alpha-Dihydroxy-5-cholestenoate 196234.125 135978.9063 224480.4531 204968.1094 200311.7969 117271.4063 113471.4688 101819.2266 316691.4375 338336.0938 329344.9688 106991.0391 275943.0625 238515.4063 120061.0078 183813.6875 215325.9375 176884.6563 133562.125 Arachidonoyl Serotonin 53220.95313 116138.6484 0 70950.82813 57682.91797 54952.21875 20210.95703 12490.74023 0 68451.26563 1134026.125 35425.35938 0 0 28041.53711 64495.625 0 0 74511.48438 FA hydroxy(19:0)] nonadecanoic acid 807792.25 320668.875 1112493.75 688041.3125 922529 1270699.625 1199726.875 1112964.125 961805.625 1055649 1248769.625 1183094.625 1201461.75 751249.1875 296739.5313 1005223.75 605348.9375 397503.875 1209906 N-(11Z_14Z-eicosadienoyl)-ethanolamine 1129736.375 83713.52344 1876676.125 609542.9375 840732.1875 129432.5625 182571.4844 149524.9063 282092.875 187328.875 2097392.75 213876.7031 1095667.25 604175.875 78881.65625 1129698 550672.5625 126754.8359 391202.25 15-HETE-DA 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3_7_11_15-Tetramethyl-6_10_14-hexadecatrien-1-ol 1037998.188 952864.6875 1286440.125 1304746.375 1098705.5 925781.125 8547351 796393.0625 1168436.625 2253139.5 5033687 2607445 1304151.875 1834689.125 1629713 1900430.875 2034027.875 485614.2813 1160227.25 6Z_9Z-Heneicosadien-11R-ol 31951.03906 30973.5625 221482.9531 301398.625 174240.125 37469.25 43005.92969 32621.19336 54141.37109 59796.73438 45868.19141 46548.42578 120756.7109 64458.35156 31365.63477 69219.22656 36103.40234 115248.1406 40220.92969 6Z_9Z-Nonadecadien-3-one 47524.14844 26967.44531 45794.03906 58002.33594 47223.80078 59810.44531 81540.71094 60116.01172 23877.16992 41839.1875 65846.25781 71493.79688 46982.64063 43406.95703 47449.66406 51949.32813 52836.59766 13032.17578 19278.70703 12-[3]-ladderane-dodecanoic acid 6077566.5 530540.8125 10300000 6214639.5 9640167 1451141.875 1928455 1140405 797910.9375 572435.75 7879072 1609109.125 4620931.5 5678963 1032821.563 9960676 4634540.5 1447364.25 3453448.75 6Z_9Z-Eicosadien-11-ol 706171 280137.1875 1052708 1752056.75 990562.25 416557.5313 511423.0625 345381 490207.8438 598629.4375 671005.625 383168.5 877142.75 835205.9375 355363.7813 550951.625 535803.1875 1643956.875 283673.0625 14Z-Tricosene-10-one 77352.70313 73085.79688 177335.2031 385560 159021.9844 37682.51953 40295.60156 30883.04883 35644.13281 51149.77734 54117.48047 31836.53906 168389.1094 98561.73438 45245.37891 152340.6406 102145.3281 656223.25 49598.00781 2_6_8_12-Tetramethyl-2_4-tridecadien-1-ol 114003.5234 75176.48438 98729.09375 165830.7969 100541.4141 97916.82813 215326.9063 113178.2188 140126.2813 97627.28125 195742.8594 120243.7734 0 116446.1484 85386.11719 0 59898.78906 71525.48438 55757.75391 7Z-Octadecene 0 29680.53906 436443.6563 990897.6875 410450.9375 47906.82422 35966.07422 22081.58008 13767.9209 25858.31836 47382.57422 55693.60547 0 0 14930.19531 0 0 24404.57422 0 3_7_11_15_19-Pentamethyleicosa-2E_6E_10E_14E_18-pentaen-1-ol 186277 398846.5 425550.3438 287954.2188 184071.1406 43755.3125 90632.0625 42314.99609 0 0 0 0 931327.75 594450.25 123948.3047 662092.4375 702621.0625 283775.25 205232.5938 [FA hydroxy(15:0)] 3_12-dihydroxy-pentadecanoic acid 562147.6875 233336.9375 617859.3125 625305.125 462389.9063 234341.7656 307403.7188 242285.375 168291.4063 89273.79688 206331.3594 205714.9688 1443120.625 862889.625 189587.9688 1594296.625 970050.625 514114.6563 238369.2813 [FA hydroxy(18:1/2:0)] 8-hydroxy-13Z-octadecene-9_11-diynoic acid 70006.19531 112572.2813 242871.1563 497268.0625 75732.07031 98241.13281 75792.71094 79755.40625 235172.1563 104337.0313 45743.0625 59564.86719 0 98882.83594 92994.77344 62518.59766 412664.7188 59756.26172 72437.72656 FA hydroxy(18:1) 341862.375 207284.7969 256913.5625 268127.75 179435.3125 236891.0938 237022.0156 195293.2969 5312147.5 918883.125 681385.0625 730732.25 402187.3125 293628.3125 176835.0781 313223.8438 260164.4531 284202.0313 218231.3594 [FA hydroxy(3:2/20:4)] N-(3-hydroxy-propyl)-5Z_8Z_11Z_14Z-eicosatetraenoyl amine 3401277.5 349768.7188 9119256 5359636 11000000 1308428.125 1739447.625 1187969.625 417475.25 710639.375 4743157 957133.0625 6672614 7614210 949634.5 16300000 5752572.5 1580187.5 2758198.5 [FA (18:3)] octadecatrienal 741106.375 29316.31055 793413.3125 375148.25 442021.8125 98898.94531 175265.3438 118990.0156 179226.0156 126916.6406 989475.125 204069.625 347419.25 305316.8438 53054.48438 540068.125 279227.5313 67899.44531 190518.8438 26:6(8Z_11Z_14Z_17Z_20Z_23Z) 3178548 523488.3125 6501017.5 2887683.75 5503033.5 823307.625 1235990 646810.9375 735764.5 534307.8125 4734462 935002.8125 2418090 3116056.5 848212.9375 5697343.5 2099825.75 860966.75 2153527.5 7Z-Tricosen-11-one 77352.70313 73085.79688 147928.9844 196645.1563 92799.77344 37682.51953 40295.60156 30883.04883 46186.25391 35642.87109 55527.76563 32614.45898 168389.1094 98561.73438 45245.37891 152340.6406 102145.3281 65342.21875 49598.00781 Tricosene 100088.4453 54205.74609 274036.3438 459258.9688 182719.2969 52642.85156 45956.6875 31296.72461 52286.54688 28949.07031 71698.875 50532.3125 128884.3984 104921.3281 45289.02734 61847.53516 67369.89063 22982.8125 24860.8125 1-eicosanoyl-(1-cyano-2-methylprop-2-en-1-ol) 271356.2188 58435.84375 606754.6875 327876.625 401122.3125 239563.1406 309744.4375 167041.5 56997.39844 47187.91406 547909.625 215826.7344 151002.0781 289276.9063 98510.21875 426034.75 247588.2188 87436.88281 356267.0938 FA oxo(19:0) 536808.375 245662.1406 1449898.75 333355.5 669745.125 166673.5469 175590.4844 201185.0156 164787.3281 186648.3125 786859.9375 112635.1641 1234328 605618.875 136006.9063 608551.125 586961.5625 151574.0469 487268.4375 FA oxo(10:0) 187869.5313 24399.80273 124752.0156 70854.94531 85659.1875 25108.78125 33513.74219 30338.32617 26686.4043 41988.06641 130200.25 52997.26953 63751.57422 60687.42578 21347.44727 98059.79688 50801.46875 25653.15039 28883.63477 FA methyl(18:2) 141693.7188 22874.82227 131045.3438 58870.56641 81947.46094 113272.3359 101219.6484 126901.1797 30700000 12600000 6319961.5 117315.7656 86260.9375 80084.38281 16341.4873 77427.58594 46480.125 35406.40625 83267.25781 2S_3R-Didecanoyl-docosane-2_3-diol 88679.11719 42909.25 520129.8125 387954.7813 94852.99219 28191.74609 51540.13281 25434.89063 63378.66016 42639.92969 298390.25 301770.7813 526896.125 127626.7578 18431.85938 276042.375 252064.5625 105228.4219 232879.2031 [FA hydroxy_methoxy(18:0)] 12_13-dihydroxy-11-methoxy-9-octadecenoic acid 1523521.5 177582.7031 2069310.75 922837.125 1370777.625 265490.3125 408725.5313 323334.2188 233703.4688 137626.0156 1000179.188 248223.7969 869304.875 581224.5 233620.6406 1414288.25 516225.25 237315.7344 585476.875 [FA (24:0)] tetracosanal 0 0 120566.8906 151302.4844 62782.89063 9788.75 0 0 28892.85352 19494.99609 0 6737.024902 0 8900.155273 0 0 0 0 0 3_7_11-Trimethyl-6E_10-dodecadien-1-ol 68994.89844 73333.86719 69822.35938 52802.21875 63163.49219 64197.19922 93676.11719 72874.32031 90471.3125 95697.09375 81682.44531 87605.61719 62586.30859 83320.85156 54386.10547 42226.98047 73686.1875 222885.2188 48198.00391 [FA (18:2)] 9Z_11E-octadecadienoic acid 172290.375 34130.07813 235233.6094 66092.6875 113629.6406 66869.53906 63765.80469 59087.39453 58498.20313 53442.15625 243109.7188 69857.73438 115438.4531 72200.20313 44940.43359 84139.20313 110465.0859 29907.64453 70970.82813 8Z-Heptadecene 0 0 0 39554.82813 0 0 0 0 19315.48828 20280.91211 0 0 0 0 0 0 0 0 0 6Z_9Z-Heneicosadien-11S-ol 13396.02832 11765.38965 150485.2031 273296.0625 110270.6172 20183.9375 14977.33594 13093.50879 27755.20117 24863.5332 25911.18555 18026.61914 31748.09766 25426.81445 13716.61426 16721.16016 29249.28516 99847.64063 13544.11621 [FA trimethyl(13:0)] 4_8_12-trimethyl-tridecanoic acid 518896.3438 0 363599.375 115333.2813 391734.4688 146338.7656 334915.125 195322.3125 151329.125 131216.9375 472206.9688 293020.7188 134787.7344 117956.5547 34054.21875 395966.8125 97825.75781 79562.94531 265698.25 FA oxo(15:0) 1472853.375 688216.6875 3260258 1392588.5 1298448.75 1831461.875 1717469.625 1751613.25 567989.625 554388.1875 616126.5625 1231148.75 3435283.75 1179771.25 538373.1875 2415720.25 1659033 779798.625 1761321.625 [FA (25:0)] tricosane-1_2-diol 212902.4063 38012.51953 273800.3125 306124.0625 117193.5938 17708.07031 27961.28711 16135.38574 62909.86719 59384.99219 219303.4219 79420.32031 271692.1875 137333.5625 36868.38281 300628.0313 193843.9219 101231.3438 71046.67969 [FA hydroxy(18:1)] 9_10-dihydroxy-12Z-octadecenoic acid 283307.2188 147584.625 181481.7188 166736.9375 224787.5625 206025.7188 134425.9219 154122.5938 485402.2188 118012.0938 155326.9063 105949.5078 146085.0156 91761.17188 134721.9375 226130.5625 177136.0625 95635.875 93368.6875 [FA oxo(15:0)] 11-oxo-pentadecanoic acid 430397.0313 248319.3438 670415.5625 497582.75 428663.7188 69911.67969 50420.38672 44943.47656 32009.28125 27771.14258 31187.87109 27980.81445 1926167.875 551299 138548.1719 1197234 607853.75 249149.9844 194632.8281 12-OPDA 2006447.5 983411.1875 2294251 1034125.063 1586896.625 13200000 11900000 10400000 1040974.625 1179688.875 5901856.5 9755121 1114513.5 1439597.375 1031901.5 1020615.75 1079096.375 1047124.438 1844239.625 [FA methyl(18:0)] 9_10-methylene-9-octadecenoic acid 423447.8438 83422.25 1067421.375 368184.3125 402656.0313 152050.4531 168424.4688 145678.9688 263802.3125 113303.9063 189987.1875 100067.2031 799782.5625 396270.0625 85467.26563 620801.875 349156.8438 106369.9844 328695.625 [FA oxo(15:0)] 4-oxo-pentadecanoic acid 709651.4375 494493.7188 1226983.5 943554.5625 791690.5625 59088.13281 65418.60547 46082.58984 31102.83203 31366.84766 40871.63672 27980.81445 2638863 1010151.563 190615.4531 1634232 816654 249149.9844 314629.5938 1-(O-alpha-D-glucopyranosyl)-(3R_29S_31R)-dotriacontanetriol 296167.4375 79978.33594 231727.8125 317071.0313 214195.3906 43651.41016 43264.19531 26881.76172 25990.42383 203198.5156 148314.8125 23635.00195 510863.8125 305323.4688 73867.01563 556737.5625 288772.9375 602420.1875 28367.93359 24:3(15Z_18Z_21Z) 91969.76563 20134.95703 139948.9688 114116.1172 139148.5 45369.38281 53095.70313 32066.62305 23682.29883 21678.42969 108384.5391 34816.98828 81341.89063 118215.875 43439.69141 192342.9219 92933.27344 38148.19141 60277.92578 [FA hydroxy(21:0)] 14-hydroxy-heneicosanoic acid 513677.8125 33747.71094 215625.8281 217044.5 93947.04688 70027.4375 104462.5547 95011.875 89564.74219 83624.5 276897.9688 122419.1563 142817.4063 111991.4375 83616.51563 563649.9375 237876.9219 123691.9609 106879.4297 N-propyl-16_16-dimethyl-5Z_8Z_11Z_14Z-docosatetraenoyl amine 93930.54688 79611.42188 192812.9844 161789.6094 78390.25781 148714.25 90179.17969 101721.0625 231131.6875 65580.97656 124958.6641 90931.63281 260974.0313 218342.1563 65562.96094 87751.32813 135543.5781 112500.4531 495823.5625 FA methyl(16:1) 479975.7813 96740.36719 389602.125 264530.875 314697.9375 748029.625 930543.5 707929.625 581940.125 400713.7813 667235.3125 861407 469166.75 287919.2813 105807.1172 357569.5938 296107.125 227900.6719 280206.875 10Z-Tricosene 431266.125 177335.7344 643748 489619.9375 192139.4688 235431.5 153742.5156 134707 721217.9375 185767.1875 197658.3594 175899.9844 652272.625 519229.2188 143513.4063 197390.3125 300487.0625 158037.8906 178626.375 3_5_7-Trimethyl-2E_4E_6E_8E-decatetraene 200522.6875 34011.54297 308084.0625 271276.25 316482.5313 65915.71875 94166.96094 47947.33594 44277.4375 45929.70703 237277.6875 58961.95703 205954.3594 312929.5313 54751.25 363602.4063 200315.4375 61497.47266 147113.3906 [FA hydroxy(23:0)] 2-hydroxy-tricosanoic acid 403144.5 58991.57031 619142.375 479618.3125 360254.25 227676.6094 303297.5313 214811.1719 64672.875 20130.74609 93724.05469 57973.24219 825940.125 453463.5938 54593.42969 635112.125 305295.375 54595.51563 192256.1719 [FA (13:2)] 3E_5E-tridecadienoic acid 347311.7813 225991.9063 414364.4063 246825.9531 405235.4688 239681.3125 148518.7656 278641.4688 345060.2813 378988.4688 146708.9844 188998.3906 393760.9063 371594.1875 312521.0313 371934.3438 358418.5313 1245273.5 373642.1563 FA hydroxy(20:1) 262772.5313 538177.5625 183619.9375 425877.9375 149504.6094 256033.25 195734.875 133279.7188 577253.8125 657572.875 952276.5 138141.2969 307780.7813 327535.4688 315882.7813 314010.6875 177118 143329.0781 466551 FA methyl (8:1) 75087.25781 30488.95508 97277.07813 142842.3125 67205.54688 36224.55859 63669.88672 45769.82422 49443.35938 61439.74219 156887.25 35948.34766 148682.25 116422.9375 29798.78906 232623.9531 120161.875 24940.31055 38845.32031 [FA methyl(21:0/2:0)] 15-methylheneicosane-1_2-diol 904809.9375 207413.0156 1508987.625 1383210.375 461089.5313 95976.50781 116809.0234 71865.42969 378659.9375 336966.75 1160677 436687.8438 1645335.25 623515.1875 116347.2734 1311385.625 914303.6875 437284.4375 447218.9063 Pentacosene 2178649.25 863234.8125 2849762 2498206.25 1039625.813 1159588.125 777800.25 608737.1875 3365646.25 836925.75 1038060.313 885786.125 3212030 2596292 692085.0625 1053046.625 1455458.375 678642.125 890722.125 FA hydroxy(12:1) 43311.39453 35969.02344 78085.92969 258933.8125 52222.44141 54646 38078.82813 64252.05469 146992.5313 53592.45703 62192.75391 35103.80469 0 50672.43359 37284.46484 0 265893.3125 36322.95703 49586.36719 [FA methyl(18:2)] methyl 12_13-epoxy-9_15-octadecadienoate 113705.6328 130938.9922 120798.4141 60348.375 76241.3125 127352.8125 133021.0313 80045.76563 257264.2656 241563.5938 172637.375 99971.75 142891.5625 109683.5391 113622.0625 172645.1563 96708.72656 50124.5 80723.88281 FA oxo(20:2) 62121.69922 32861.39453 143320.8438 45674.91406 65257.60547 51549.99219 57627.03906 40417.41016 37073.59375 26385.76953 95482.46875 55009.11719 90038.21094 45039.85547 39027.30469 96091.02344 52983.25391 30951.92773 33141.73828 6-[5]-ladderane-1-hexanol 128505.3906 44599.875 149882.2656 81382.75 65111.08984 60172.05469 44826.96094 55297.37891 641390.375 358864.4688 568768.375 157189.2031 170214.6719 45434.73047 41352.72266 129105.2109 107005.0547 30573.13867 55226.21094 FA (14:1) nonanol 217204.1875 198996.9375 114290.1094 178302.8594 67980.21094 24593.95508 321463.625 316419.4063 131830.1719 185838.0781 180721.9844 291758.9375 232408.1563 204233.2969 129962.9297 122902.2031 86563 199743.2031 281923.8438 9_12_15-Octadecatrien-1-ol 150774.6094 41625.35547 355859 250601.625 210733.4688 67806.44531 79468.90625 61393.23828 90875.8125 47484.66797 185454.375 45510.56641 245289.25 180790.9844 38788 327153.0625 172568.4844 48874.12109 129464.0313 FA (14:1)nonanoic acid 209288.0781 49068.62109 231816.9063 157753.9375 161831.1563 61335.87109 78687.74219 58915.52344 66748.89063 67713.3125 244390.1094 86480.5625 140313.1719 145868.3594 39001.08203 204277.3125 116648.1172 58293.26953 89676.40625 Heneicosadienone 41287.0625 21626.53516 42191.28516 36093.25 43311.58203 23146.60742 31299.17578 28875.61719 29880.93945 53439.3125 45440.03125 25774.47266 35721.16797 46976.67188 27961.32617 37596.32031 39140.66797 19544.9375 24958.55273 [FA hydroxy_ethyl(20:4/20:4)] N-(1_1-dimethy-2-hydroxy-ethyl)-5Z_8Z_11Z_14Z-eicosatetraenoyl amine 137658.5469 59916.83984 375496.125 309066.0313 519033.7813 111277.6016 149349.125 101438.6953 69781.42969 55873.58203 229677.7188 81549.4375 206738.125 438897.4063 119007.8984 624900.5625 372473.6563 159452.3438 186803.375 [FA hydroxy(20:4)] eicosatetraenoyl amine 645267.125 415669.6563 737532.5625 853273.0625 791875.25 373002.125 351375.1875 264682.5313 684085.75 977443.75 1097400.5 405147.3438 479032.6875 680426.9375 445297.8438 1039546.188 635229.9375 768390.9375 634264.6875 N-(3-(15-methyl-hexadecanoyloxy)-13-methyl-tetradecanoyl)-L-serine 353522.4063 66172.14063 147785.1719 125838.9219 86160.41406 25703.44531 18495.98633 13133.8623 1173363.625 1175538.875 1492379.75 89319.22656 298587.5 134707.4844 22862.46094 219842.4219 125647.5938 64193.75781 75300.5625 N-morpholine-5Z_8Z_11Z_14Z-eicosatetraenoyl amine 2799102.25 796291.4375 4869356 3762823.25 4576236 1827969.5 2375875.25 1118103.75 559736.5 820055.75 3136229.5 1790914.125 3167187 4684231.5 1621577.25 5736792 2635601.75 1275358.625 2733472.75 [FA methyl(18:2)] methyl 9_10-epoxy-12_15-octadecadienoate 360043 312691.5 386533.1563 284481.375 340928.4375 10200000 8364688 9408903 3573028.25 3055393.5 3281035.75 8140882.5 326569.5 290916.0625 295984.6563 315433.5313 374121.5313 50197.33984 45711.27734 4_8-Dimethyl-1_3E_7-nonatriene 143768.0938 13555.87402 205332.6406 147216.625 212790.4531 26740.0625 45122.28516 17441.41992 11677.0293 12173.38379 160598.125 24339.39844 156638.5469 160099.9844 18436.75586 243938.2188 101623.4453 25388.93555 78294.07813 FA hydroxy(20:3) 86232.02344 84169.27344 103764.1797 84469.04688 88915.85156 138369.2813 114712.9375 100973.7578 62239.71484 80898.24219 119597.5469 106750.5547 493231.7813 338410.6875 217141.125 398456.1563 333468.7813 68049.39844 65501.44531 Mycolipanolic acid (C27) 4121156.25 469425.4375 2867298.5 4531512 868661.3125 194715.2188 171941.625 143169.7031 271305.25 306606.3125 508534.875 276577.6563 1900952.25 1504846.5 409999.3125 2115649.75 1001542.313 738979.5 543130.25 [FA (16:2)] N-hexadecyl-ethanolamine 4393166.5 4154971.5 7715307 8601287 6216448.5 4945380.5 4241458.5 2622890.25 7261142.5 2248421 6239178.5 2563784.75 8759600 5348404 4245708.5 8941207 8432419 5306040 2917031.75 FA methyl(17:3) 2665663.75 672151.6875 847202.75 1028385 682177.8125 682347.375 751802.75 429543.875 8590630 2364120.5 3851763.5 4512830 1641216.875 1396254.5 568388.125 1898173.75 990696.3125 506142.8125 564968.75 Octadecadienal 3050086.25 3205066.25 9671005 5505132.5 3899987.25 2856684.75 2987868.25 2448854.5 3058843 2420438 3926541.25 2178258 10200000 3441634.25 3463046 6780811.5 7278736.5 2160276 3375442.75 [FA oxo(22:0)] 10-oxo-docosanoic acid 283034.5938 252777.5469 401223.4688 484438.8125 249647.5781 192528.1875 145460.4375 115729.9609 253216.5156 217401.5156 560230.625 92774.05469 490524.2188 545126.0625 181923.5156 538338.625 226390.3594 86164.9375 316110.6563 [FA hydroxy(20:0)] 11_12-dihydroxy-eicosanoic acid 2574227.5 1422625.375 1999915.875 1889620.75 1788100.75 1507549.25 1399021.625 1240793.125 1265485.25 1659030.25 2094900.625 1591936.625 2702157.25 2227468.75 1066056.75 2015684.5 1635563.125 1205601.125 1667446.625 FA trihydroxy(18:1) 1363386.375 1432895.5 1541660.5 1733153.875 1131455.75 315374.2813 430464.125 514638.5 3250485.25 837503.4375 1859572 810245.4375 1080251.625 1146292.875 1338691.75 1611453.5 997443.75 1088322.75 634456.625 N-(8Z_11Z_14Z-eicosatrienoyl)-ethanolamine 1189728 994334.9375 3080656 2829555.25 2575008.25 1905822.5 2164271 1409329.375 522073.1563 518336.3125 2121515.75 1499147.25 1705406.75 3216292.25 1768220.5 3131679.75 2372764.25 1319599.875 3185748 3_7-Dimethyl-2E_6E-decadien-1_10-dioic acid 0 0 0 0 0 303335.3438 265217.8125 371085.1563 101006.8516 70479 92926.71094 252162.1094 0 0 0 0 0 0 0 [FA (18:4)] 6Z_9Z_12Z_15Z-octadecatetraenoic acid 438039.5938 184774.2031 256210.2031 243289.5156 165563.4844 247969.5469 274577.6875 168575.7656 1623477 520677 806275.625 661491.4375 481628.0313 386755.5313 182740.5469 604681.6875 298651.3438 211896.4531 149305.2813 8E-Heneicosene 245420.5156 96447.96094 266365.375 347915.625 100013.6797 151082.6875 86618.67188 109641.1953 321618.9375 98391.14844 124268.8984 122501.7344 387860.125 212878.9219 99390.99219 76368.03906 235255.2969 107856.2109 141750.5156 N_N-dimethyl-9S_11R_15S-trihydroxy-5Z_13E-prostadien-1-amide 135037.9219 180129.1406 0 69417.67969 76754.6875 296346.25 277615.1563 269781.7813 117375.7266 166966.5625 165769.6719 296461.3125 42500.73438 89420.3125 175312.9375 37954.12109 82810.52344 73678.07813 161502.9844 1-dimethylamino-9S_11R_15S-trihydroxy-5Z_13E-prostadiene 220344.1875 219611.4688 249160.0469 184359.75 197787.6406 216227.7031 197491.5156 198609.3594 573891.5625 238863 203116.0625 243408.375 238063.4688 184856.4531 198928.7969 220595.8438 199903.6719 202651.9063 198910.7969 N-(9Z_12Z-octadecadienoyl)-ethanolamine 1061708.75 551019.625 1236472.75 2123448.25 1292022.75 581619.5625 432972.1563 281676.875 1421695.25 939126.625 2056077.375 621104.6875 757747.0625 1141522.375 700970 1706736.25 813047.6875 881742.375 966940.25 [FA (18:2)] 3Z_13Z-octadecadien-1-ol 7658414.5 6279374 7237078.5 6640396 6203579 5282926.5 5457255 4916861 4537280.5 5372318 5296402.5 5862198.5 8604112 7757295 4760019 6827079 6219519.5 5717168 6378188.5 [FA (18:3)] 9_12_15-octadecatrienal 257921.1094 287801.0938 447698.375 312204.75 266271.3125 212151.2969 207054.5625 179431.3281 393228.625 302561.625 306918.6563 289260.625 483503.5 359691.5 227054.4219 343398.125 285755.4375 311056.75 191462.125 [FA hydroxy(18:0)] 9_10-dihydroxy-octadecanoic acid 932774.125 1152425.125 719940.1875 617988.375 628177.125 1852153.375 1207269.625 1315422.75 1161003.125 1737769.75 675801.8125 2187154.5 839797.375 730842.8125 649039.625 670000.5625 516014.3125 622323.1875 1194052.5 FA oxo(21:0) 134987.7813 60819.65234 194943.4844 135052.1563 121029.0547 102768.6953 127834.6641 93344.63281 156429.0781 184492.2656 206661.1719 121193.3047 166082.9219 121926.6172 61864.89844 184750.1563 125780.625 54685.60156 115725.9453 FA oxo(14:1) cyclopentanebutanoic acid 154596.0313 259819.9531 174598.8594 199007.4531 184169.0625 349081.625 358745.9063 337128.5625 22545.35742 45211.46484 85460.91406 104743.4922 627832.5 1111714.125 569683.3125 974078.0625 767651.125 481703.3438 198413.8438 FA amino(18:0) 190698.9375 241040.5156 159623.875 201517.5469 171182.4531 426555.3438 365792.6563 430468.5625 631032.75 557654.6875 427839.5 538492.3125 249890.0156 252087.1406 203656.3281 150683.0156 237167.625 329021.9063 230747.7031 FA oxo(17:0) 387379.0938 483275.75 293883.4688 487089.9063 342574.8438 456558.0938 445261.2813 251748.3594 608821.375 394809.5625 524423.875 292768.375 569796.3125 550051.125 378122.3438 641205.75 343177.9375 299377.0313 529735 [FA methyl(16:1)] 14-methyl-8-hexadecen-1-ol 1259040.75 1995642.125 938350.5 2019695.625 1054157.375 3860848.75 2735790.5 2599393.75 2417169.25 2633725.5 2774171.25 2608834.25 2328671.75 2242254.25 1550731.25 1787333.5 1303272.125 562205.6875 983460 6Z-Heneicosen-11-ol 72403.60938 28574.24805 89409.3125 70431.58594 85166.76563 157281.8594 179300.4531 129440.9609 257858.2813 282598.8438 409907.9688 178438.2031 36330.10547 51403.56641 30628.89258 47561.58203 46484.67578 9522.274414 10271.2793 [FA hydroxy(20:0)] dihydroxy-eicosanoic acid 11000000 17300000 12500000 14600000 10600000 17900000 13800000 12600000 11600000 12600000 13300000 12900000 11200000 12500000 13500000 13000000 11600000 10500000 12500000 [FA hydroxy(17:2)] 7-hydroxy-10E_16-heptadecadien-8-ynoic acid 25043.62891 19000.33008 15826.86328 16084.1084 11395.99121 252016.6875 213881.625 209343.0156 24085.75781 14002.91309 28188.35742 219236.5781 20685.72461 16836.6875 22144.61328 21811.69336 14112.44727 53693.09766 25468.19922 [FA (15:0)] 14-methy-pentadecanoic acid 83447.73438 65965.46094 104875.5859 103196.9375 84140.69531 53066.74609 61817.10547 57732.92578 61245.69922 67473.45313 66877.47656 45238.76953 106480.5078 80032.13281 40501.49609 70732.75 76728.30469 46640.98828 67267.85938 Methyl-hexadecenal 25978.05078 17208.03125 31255.63867 25660.54883 28341.81836 69485.91406 57283.21875 55964.59766 105775.1797 134992.5938 92989.05469 53039.85156 24774.00391 28227.51563 15376.2207 28427.48438 25376.25586 12762.99805 17230.0957 N-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-ethanolamine 71662.90625 38014.61719 112809.5859 64073.54297 116805.9453 73111.90625 92001.23438 37204.76953 0 28842.85742 94104.42188 54757.54297 74356.39063 120346.2422 38960.57813 59452.05859 39817.125 23129.92969 108210.9141 [GL (18:0)] 1-octadecanoyl-rac-glycerol 11200000 1112318.5 1207959.625 1269973.125 868278.625 1240264.25 1100555.875 1092344.25 891909.875 961315.75 1047137.5 1184438 978206.1875 1051040.875 1173272.875 1048901.125 1006071.875 895219.4375 994778.0625 Noladin Ether 528018.75 12436.5127 211666.8125 57764.01563 85312.64844 53167.04688 96608.22656 57849.85938 0 27971.70508 376164.875 111139.8438 752378.5625 560062.875 64920.25 747741.8125 377606 26823.55469 59685.14453 1-Dodecanoyl-sn-glycerol 3150487.75 1585734.125 7008680.5 2995808.75 2773037.25 3626897 3619949.25 3865935.75 1108919.125 1234631.5 1173467.125 2554068 7541279 2544954.5 1162694.875 5104567.5 3885820.25 1693336.375 3984834 TG(10:0/10:0/10:0)[iso] 170687.9844 96406.59375 615350.75 186419.5156 243892.6875 25193.98633 36925.94141 33614.01953 20665.9082 22753.65039 22588.85742 19337.60156 824519.875 329325.3438 48681.89844 412960.8125 280918.8438 56012.83984 137422.7188 DG(18:0e/2:0/0:0) 22100000 13500000 19600000 22500000 18000000 9231051 9164378 7356381.5 5869060 8673279 7689775.5 8699827 34100000 26500000 9685222 25200000 16100000 9727367 13400000 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 1165230 347118.5938 827176.875 766233.9375 634481.5 108837.3984 124291.6094 83652.42188 115490.6875 272416.2813 496278.0313 127721.2266 1803461.375 743633.125 170339.1094 1037907.25 753881.6875 161312.3281 127911.3125 MG(0:0/20:2(11Z_14Z)/0:0) 352981.125 89051.20313 416543.25 232686.0781 206387.2031 225516.25 167241.8438 138593.7031 144911.0938 217930.1406 54250.4375 152502.625 779444.75 267571.9375 102987.4219 639079.4375 170106.2813 112371.5391 175333.5938 MG(0:0/22:4(7Z_10Z_13Z_16Z)/0:0) 215338.6406 0 0 0 0 0 0 0 62968.26563 122783.4375 290769.625 233673.9531 0 0 0 0 0 27569.89648 0 MG(P-18:0e/0:0/0:0) 167393.3281 83901.75 173134.8438 126766.3906 172430.5469 1016081.125 970140.5 997249.1875 191572.7969 300636.5 377430.6563 900333.8125 162003.0625 166176.4219 109062.4766 173307.6563 144984.7813 45493.19141 44965.19141 MG(0:0/22:2(13Z_16Z)/0:0) 84715.96875 44885.42969 199871.5313 125464.4609 83161.60156 26386.51563 30741.65039 25560.76172 34919.92578 42370.24609 89723.92969 19890.23828 217783.1719 107612.7578 27017.47266 124222.5469 83305.64063 36016.62109 49855.51172 PC(16:0/9:0(CHO)) 3780904.25 1987381.625 2588225.75 3792162.5 2931108.75 742895.625 905949.25 781447.4375 987287.6875 1497759.625 1859355.75 1041167.625 3412050 3155929.75 1415423.625 4079010 2191546.25 2254155 200971.9063 [PS(10:0)] 1_2-didecanoyl-sn-glycero-3-phosphoserine 1334505.5 147410.7813 949188.6875 512193.8125 623891.625 107859.8672 176068.8125 139604.25 237992.3125 291167.625 1036386.875 346570 368893.25 437214.8438 174098.2656 871487.4375 292411.5938 163954.0625 106440.8047 [PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol) 220376.4063 56838.48047 699921.125 274955.0313 354420 71452.42188 114236.8594 74623.35938 43966.1875 39910.08203 201444.7969 59165.36328 498875.0625 310994.2188 69973.05469 550259.4375 265792.375 93725.32031 112904.3984 [PC(11:1/11:1)] 1-(10E-undecenoyl)-2-(10E-undecenoyl)-sn-glycero-3-phosphocholine 152438.2969 0 79942.64063 0 0 34667.39844 56315.02734 33248.60938 0 40308.73828 141661.9375 72276.07813 314442.6563 229722.6406 102462.4609 307659.6563 104356.375 17026.13477 22172.09766 PS(O-16:0/22:2(13Z_16Z)) 344225.375 515389.3125 418078 958572.8125 631704.125 186576.8438 332959.9063 300017.4063 150324.1563 199213.1094 168510.6094 90209.13281 2278630.5 983455.5625 342143.6563 910859.375 769562.8125 661268.875 147252.1719 [PC(18:3)] 7755538 5772137.5 37400000 15300000 20000000 6901725 8397960 7970366 2988132.75 3002945 8917587 4625497.5 33200000 18600000 4899971.5 29400000 16800000 8027675 7418917 [CPA(16:0)] 1-hexadecanoyl-sn-glycero-2_3-cyclic-phosphate 809435.4375 522074.2188 769097.4375 482546.7188 461531.2188 553534.875 483940.5938 601514.375 1699515.875 2628844.75 2337127 2328723.75 552787.4375 364023.8438 748492.5 460593.7813 814582.125 328226.4688 871873.9375 [PC(22:6)] 1-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 27400000 21300000 53700000 43400000 67200000 21500000 23700000 13600000 17100000 25700000 31400000 19600000 33400000 52800000 36700000 71500000 38200000 50600000 33800000 PS(O-18:0/20:5(5Z_8Z_11Z_14Z_17Z)) 51153.69922 84187.63281 226738.2188 205030.0938 154451.7031 60429.08984 78812.03125 58938.57031 135677.3281 84456.60156 64145 33917.48438 230622.9844 196827.9844 51867.17578 209912.8594 156795.9844 107912.4141 44387.04297 1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine 48297.80469 59581.65625 131154.2656 104929.0938 60611.64453 38609.11719 57355.35547 47865.59375 42517.08594 48850.09375 108283.6797 128800.9375 135558.7031 102137.9766 33496.97266 85119.77344 115996.9141 218242.5313 128827.25 3_5-Di-O-methyl-8-prenylafzelechin-4beta-ol 29200000 18000000 23800000 20800000 25300000 157000000 165000000 111000000 29400000 39400000 35900000 153000000 24500000 25000000 21200000 27400000 22500000 26600000 11900000 Rubraflavone D 529677.5 297939.25 394210.7188 336794.1875 309064.5625 2332713.75 1548533.25 1232986 1122500.375 1148537.25 974416.375 2248459.5 422683.4375 607099.375 513939.0313 370954.4375 398187.4688 325647.3438 374577.9375 20:2(5Z_9Z)(11Me_15Me_19Me) 12318.45898 9651.549805 16902.28125 14635.59766 7484.36377 10600.86133 13447.26855 14625.46875 13208.40234 11851.11719 20356.55859 13166.65723 12924.27637 10596.89453 7845.291016 16706.73438 14917.46777 14981.06738 5618.484375 [PR] Tretinoin/All-Trans Retinoic Acid 13593.14355 9638.753906 18523.35352 23393.70313 21250.24023 81480.17969 157989.1563 120273.8672 40677.02344 80657.99219 32818.28906 109561.0313 69650.10938 26210.0293 16453.51758 52532.60547 46322.19531 42596.71094 17490.97656 [PR] 13-cis-retinol 66653.46875 25310.99414 76671.05469 143775.8125 67927.6875 45381.82422 33394.48047 27418.79297 62602.16016 85480.53906 173585.1719 53109.01563 106991.7266 61173.66016 73514.92969 107618.6094 71154.60156 44514.08594 63606.68359 3-O-Sulfogalactosylceramide(d18 2097725.5 3856082.5 949893.875 1367639.625 884761.375 499441.5313 718373.5 553566.75 243057.4531 601220.375 609426.25 205338.9844 1064649.875 1320300.25 397830.1875 1894965.875 825659.5 328997.9688 618525.0625 [SP amino_dimethyl(18:0)] 2-amino-14_16-dimethyloctadecan-3-ol 0 8994.585938 212614.4219 255151.4844 99790.67188 13145.22754 0 0 37442.96484 20001.47852 0 8973.707031 0 0 0 0 0 0 6846.024902 [SP hydroxy_hydroxy_methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-ol 99241.3125 66486.23438 150478.7656 112281.8906 82981.24219 139812.1563 145267.9375 122555.75 218361.3594 117825.375 157383.7031 166912.5469 136631.1563 123425.0625 86195.32813 123035.4609 105832.2969 182381.5 102749.4453 [SP dimethyl_amino(18:0/2:0)] 2S-dimethylaminooctadecane-1_3R-diol 1158566.625 70514.3125 1081734.375 384303.4063 1127260.75 408220.6875 665390.3125 493100.3438 480746.4688 239871.6406 1587167.375 687981.25 581361.25 495862.125 169520.2813 786552.125 439651.5313 196793.0781 963884.375 [SP methyl(16:0)] 15-methyl-hexadecasphing-4E-enine 301990.8438 56986.26563 493329.6875 288015.0313 484469.25 108738.3359 117690.8828 96199.28906 140493.4375 97415.38281 460774.875 113010.0547 273146.5313 241704.1406 63307.35156 413339.25 318060.9375 74754.90625 175124.0313 [SP methyl(2:0)] 9-methyl-sphinga-4E_8E-dienine 185000000 14800000 189000000 119000000 125000000 36600000 52500000 36300000 54000000 43400000 215000000 59700000 152000000 103000000 18900000 143000000 101000000 22000000 50500000 [SP amino(18:0/2:0)] 2S-aminooctadecane-1_3R-diol 75981.39844 34082.21094 207747.9688 140023.5781 59954.51563 26602.10156 44074.91797 69696.24219 141576.2344 54751.70703 150406.3438 164386.0469 115191.0391 62106.05469 14182.90723 131876.1094 123654.3516 133430.5156 179241.1563 Dihydroceramide 899218.9375 240280.9219 2098649.25 794761.0625 921727.1875 348645.625 503620.4063 478912.4375 664287.8125 294405.0313 851913.4375 527460.3125 1691390.5 814563.1875 177092.4219 1408285.75 792968.875 194253.625 737408.75 [SP hydroxy_methyl_hydroxy_methyl(16:2)] azetidinol 602576.3125 1078884.625 1403892.625 756365.8125 776595.3125 612005.75 673568.1875 576260.375 551690.875 1154263.125 681537.0625 731220.5 1163981.125 983837.25 641713.875 675208.75 778431.8125 785993.75 580063.375 [SP (3:0)] sphinga-4E_8E_10E-trienine 6475144.5 4072517 6094423.5 7114642.5 4374941 3884009.75 3131765 2755483.75 16200000 7359850.5 13700000 9526078 6303176.5 5168752.5 3775529.5 6559335 5453580 4429703 3449287.25 [ST (3:0)] cholest-5Z_7Z_24-trien-3beta-ol 318138.875 318843.1875 641840.4375 632008.8125 449483.7188 44656.35938 52861.77734 54271.21875 90616.10938 113634.6328 250511.5313 28443.66992 585349.5625 405044.625 154608.8125 403580.5313 456078.6563 5641747.5 314472.5313 Minabeolide-2 0 0 21390.88672 42762.21094 25954.70898 33118.64063 21049.69531 18408.73633 37614.58984 50628.55469 37882.57031 24013.23242 0 0 16076.58789 0 0 0 0 [ST (2:0)] 5beta-Cholane-3alpha_24-diol 556708.625 0 740642.5625 266973.2188 703295.6875 139688.7656 218757.625 113727.7344 110116.8516 0 639170.625 170480.8906 155771.4375 492715.5313 110732.1875 700071.5 201917.0469 94475.20313 344903.0938 [ST (2:0)] androstan-3beta_17beta-diol 938989.5 59403.92578 388657.2188 186232.6719 231806.9375 80019.79688 95496.46875 76755.75781 27300000 13400000 22600000 299932.7813 437442.2813 243496.9688 52157.56641 495254.375 256249.0781 89883.26563 245073.8594 stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside 2759964.75 394674.875 725795 622827.75 565998.375 501031.4063 326676.6875 370003.9063 1226268.25 1341920 3339253.25 1027307.063 1249675.75 704479.4375 377469.2188 1262732 748444.5625 212650.7969 218686.1406 [ST (2:0)] 24-Nor-5beta-chol-22-ene-3alpha_6alpha-diol 2117641 6769695 1292176.375 8748438 939543.4375 63187.05469 73007.53906 55531.69531 2442142.25 973353.25 856681.8125 31378.57617 5028908 3424193.25 9831525 5294044.5 2660614.5 3045928.75 6682989 [ST hydroxy(3:2/3:0/3:0)] (5Z_7E)-(1R_2R_3R)-3-(hydroxy-propyl)-19-nor-9_10-seco-5_7-cholestadien-1_3_25-triol 93314.79688 22538.36523 51034.75 45995.375 55962.5625 32559.53125 25324.39453 19292.40039 851653.3125 2174643.5 983413.875 43013.52734 59561.48047 31216.49219 10826.36523 50902.73047 30979.35547 80060.36719 32549.46289 [ST hydrox] 3beta-hydroxypregn-5-ene-20-one 613855.4375 69255.21875 981527.625 565637.75 924636.875 257409.5 223458.2656 139373.1875 174423.7031 132699.4219 790385.4375 312114.5625 551556.9375 545376.625 102726.0938 1070014.5 504869.875 119585.3516 384283.9688 (25S)-5alpha-cholestan-3beta_6alpha_7beta_8beta_15alpha_16beta_26-heptol 330361.0938 203821.7031 284112.25 208741.5 254914.9531 1560714.75 1308672 1481049.25 454984.4375 541208.25 570884.5625 1340321 306680.5 245194.9219 220073.0469 308563.75 273649.0938 136720.9688 115627.0547 [ST hydroxy_methyl_ethyl(2:0)] (5Z_7E)-(1S_3R)-18-[m-(1-hydroxy-1-methylethyl)-benzyloxy]-23_24-dinor-9_10-seco-5_7_10(19)-cholatriene-1_3-diol 189311.0469 185013.8594 265091.4375 246399.5469 245861.3594 102716.8203 208232.5156 151640.9375 21073.32617 177262.4844 66422.88281 128283.9609 316302.3438 261001.4063 109270.3828 306396.5 204767.5938 83838.91406 171524.6875 [ST dimethyl_methy] 4alpha_14alpha-dimethyl-24-methylene-cholest-8-en-3beta-ol 45167.23438 89156.82813 267252.7813 99503.53906 78097.82031 18646.66992 19140.06836 28942.17578 77567.90625 40522.08594 27616.38477 11917.95703 183953.1406 124353.625 30163.81445 85341.57813 69919.5625 52288.42188 143177.9375 sarmentogenin 84216.67188 429609.5938 746121.0625 383071.1563 1172291.5 234136.7969 306458.5938 181058.6563 56994.47266 167632.9375 157042.9531 134488.8281 423521.125 543796.875 491011.5625 850451.0625 443886.0938 533901.125 327080.5938 5beta-Pregnane-3_20-dione 111758.625 83618.24219 98906.61719 285445.9375 136400.1719 106990.5313 82573.71875 79870.04688 1502181.375 1405006.875 745815 91942.46094 348678.875 210976.9063 74583.66406 197684.9063 193192.2813 141964.4375 99051.48438 12beta-hydroxy-24-norcholesta-1_4_22E-trien-3-one 58541.94141 226463.4063 117308.3359 249262.2188 105794.4766 11370.79297 13393.87109 5478.779785 77691.05469 59414.25 69694.1875 4419.033203 65213.96094 89441.3125 261010.7969 147252.5469 89146.1875 49059.68359 100706.5234 [ST] (5Z_7E)-9_10-seco-5_7_10(19)-cholestatriene 2981371 4449466 4452509.5 5542371.5 7820099 1052032.375 1103225.75 678949.5625 4100616.5 6995072.5 6019265.5 958769.875 2180405 5365129 6879763 7483887 5733416.5 7958479.5 5146068.5 Xeniasterol-b 80521.32031 67055.32031 64028.82422 73628.86719 79321.32813 79184.20313 46605.07031 64868.31641 103105.4688 100068.5625 71688.15625 72047.54688 147835.9688 81475.4375 62130.79297 114932.2734 57724.17578 36742.52344 38676.07031 [ST hydroxy_methyl_ethyl(2:0)] (5Z_7E)-(1S_3R)-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23_24-dinor-9_10-seco-5_7_10(19)-cholatriene-1_3-diol 88401.30469 106249.5078 70195.24219 80211.85938 79828.46094 65657.17188 112837.6953 91725.89844 66855.71094 96348.17188 69797.64063 77104.875 62100.10156 62886.45703 76705.83594 75784.94531 76617.42188 67797.23438 89674.29688 Jurubine 300640.1875 0 0 0 0 0 0 0 31371.5918 41322.78516 126865.5938 41121.22266 0 0 0 0 0 0 0 all-trans-13_14-Dihydroretinol 212222.2344 16937.52539 330008.4375 214812.0781 285196.875 55957.52734 62800.30859 39301.92188 32883.28906 21306.91016 186645.7344 42617.83594 198852.5156 218301.6094 29755.96094 412511.375 195476.9844 44487.14063 85388.39844 7_8-Dihydromethanopterin 0 0 0 0 0 0 0 0 0 0 0 22990.50391 0 0 0 0 0 0 0 N-(2-hydroxydocosanoyl)-sphinganine 18700000 8399308 14900000 22400000 12800000 954344.875 1269951.625 793059.5625 1007638.813 1233960.25 3379566.75 546711.25 32500000 24300000 4128058 26200000 15800000 4291083 3295290.5 N-(2-hydroxy-13Z-docosenoyl)-tetradecasphing-4-enine 118919.2109 396837.1875 668659.3125 578804.875 226988.9531 112230.6328 104455.9531 64584.33594 81367.88281 92446.51563 152460.3906 32352.96289 847285.5 356911.25 97508.8125 489640.6875 329068.0625 142178.5625 122866.4766 N-(2-hydroxyeicosanoyl)-sphinganine 1810232.125 1131450 1806784.875 2508496 1183295.25 165655.5 205421.0781 130229.5391 179459.0938 131679.9688 416129.2188 86771.22656 3093594.5 1924323.375 427912.1563 2326403.75 1626759.25 452280.1563 405586.3125 N-(9Z-octadecenoyl)-4E_6E-tetradecasphingadienine 55987.14453 35869.75781 70845.67969 101342.0469 73149.36719 21210.97461 20829.48047 9254.408203 170471.2656 247922.1719 353200.9375 25088.08594 94047.76563 68032.97656 40809.27344 99488.45313 90396.75781 55636.49219 42083.83203 N-(2-hydroxy-hexacosanoyl)-tetradecasphing-4-enine 232883.1094 84342.125 282359.625 288538 151687.5 38784.80078 33795.87891 23708.84766 76561.32031 0 134563.5781 30736.65234 355520.6563 199275.8125 59212.9375 253437.1563 152111.1719 46588.35547 81455.78906 N-(2-hydroxy-docosanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine 1302829 455696.5938 1157165.375 1588473.25 1374416.25 165064.2656 212598.0156 112487.9766 159018.25 418168.6563 669679.375 184388.3438 1878294.625 1501126.125 438290.7813 1952174.5 1171293.25 668060.625 212155.7813 N-(2-hydroxy-docosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine 335782.5 181215.4063 432964.0313 412468.5938 456755.7188 89931.38281 104104.6328 45158.14063 76563.39844 212671.2813 305077.25 129085.5859 306324.5313 457255.4063 224621.4219 798857.1875 352531.5313 187568.2031 135923.2813 N-(eicosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine 94701.34375 50960.75781 143308.3125 145942.6875 127395.5859 35824.42969 52545.25391 26276.30078 27540.2168 51821.64453 78926.55469 32764.53711 233719.9063 151505.9531 54562.35938 266589.8438 149193.6719 127098.2656 28742.19336 N-(15Z-tetracosenoyl)-tetradecasphing-4-enine-1-phosphoethanolamine 160602.3125 109504.2031 132949.9531 170810.7188 195273.0938 54118.75 62826.67188 31906.03906 32907.65625 100494.1719 153184.25 60708.40234 83623.44531 160694.4531 98094.13281 237830.3438 164035.5156 153489.8125 54268.56641 N-(nonadecanoyl)-4E_6E-tetradecasphingadienine-1-phosphoethanolamine 0 56553.83984 109310.3359 104418.1797 101200.4844 60051.82813 69174.45313 59423.51563 0 0 0 0 100679.3203 110324.1484 63067.52734 138335.8438 93327.10156 57275.15625 41716.60938 N-(2-hydroxy-eicosanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine 58952.28516 33834.91406 88448.14063 83826.53906 88522.51563 20885.98828 24293.29883 12870.6709 21248.0957 29847.96094 45101.24219 16906.76172 115833.0547 105930.5078 38396.96094 182994.1875 85411.50781 45601.43359 21499.78125 3-O-(6'-O-(13Z_16Z_19Z-docosatrienoyl)-beta-D-glucopyranosyl)-stigmast-5-en-3beta-ol 343435.25 90906.42969 103543.0234 111110.4922 55931.48047 0 0 0 1297999.125 2421549.25 2720017.5 0 133605.5938 98837.98438 39214.86719 114954.0938 74866.10938 47836.99609 70256 3-O-(beta-D-glucopyranosyl)-campest-5-en-3beta-ol 1790079.75 52004.24609 133824.9375 103082.2266 103342.0859 0 0 0 475127.0625 666273.6875 1741989.25 674183.8125 302188.4063 284966 0 206305.0938 171845.8125 0 0 3-O-(6'-O-docosanoyl-beta-D-glucopyranosyl)-stigmast-5-en-3beta-ol 5407402 2944814.5 2591783 2153672.5 1713043.25 159715.9531 55048.08203 45414.32813 13000000 17500000 13400000 44003.76172 4946494.5 1854972 1201959.875 3278635.75 2556883 1324814.875 1311769.125 3-O-(6'-O-docosanoyl-beta-D-glucopyranosyl)-stigmast-5_22E-dien-3beta-ol 316033.7188 366129.7813 462121.2813 315860.7813 437131.5313 124327.5469 37339.11719 41846.43359 468370.625 833911.625 1015928.75 44367.70313 287300.125 241390.4688 219017.5625 249244.3438 300141.6563 188436.0781 224482.5781 3-O-(6'-O-docosanoyl-beta-D-glucopyranosyl)-cholest-5-en-3beta-ol 3216716.75 1328082 1009202.688 971322.6875 752152.4375 76539.35156 32583.85352 23390.42578 7896707 18300000 12600000 34365.40625 2383934.75 1252948.25 470929.3438 1714386 1134541.5 461325.75 443405.7188 3-O-(6'-O-(13Z_16Z_19Z-docosatrienoyl)-beta-D-glucopyranosyl)-stigmast-5_22E-dien-3beta-ol 74691.5 0 0 0 0 0 0 0 45558.31641 93240.44531 332335.0938 0 0 0 29613.54102 0 0 24138.63086 21616.38086 3-O-(6'-O-(13Z_16Z-docosadienoyl)-beta-D-glucopyranosyl)-stigmast-5-en-3beta-ol 371304 169003.6719 193190.7813 173053.9844 167398.25 57568.13281 26582.09375 24906.44727 451068.7188 529901.9375 733689.8125 17287.81055 195021.1406 202021.7813 157746.1719 208193.8594 74888.89844 173695.7031 162593.2813 3-O-(6'-O-(13Z-docosenoyl)-beta-D-glucopyranosyl)-cholest-5-en-3beta-ol 201743.25 335441.3125 295745.625 345944.1875 230436.6406 84623.77344 32498.9707 58920.67188 275830.7188 480240.0313 250362.5781 0 259127.2656 137752.9531 116189.1875 126648.6016 155328.375 126172.7188 101383.5313 3-O-(6'-O-(11Z-eicosenoyl)-beta-D-glucopyranosyl)-cholest-5-en-3beta-ol 170167.4531 240075.7969 177555.9844 150379.9063 188630.1875 39803.88281 19072.27539 19177.53906 75000.25781 97811.53125 53938.91406 0 166808.7969 173622.8906 156955.125 214233.9063 190825.9844 156177.9688 193114.5 3-O-(6'-O-(13Z_16Z_19Z-docosatrienoyl)-beta-D-glucopyranosyl)-cholest-5-en-3beta-ol 61713.32813 74450.51563 47171.84766 69235.35156 30445.76758 0 0 0 84713.27344 75028.61719 130448.4922 11181.26953 0 29375.80469 57414.30078 44017.13281 63866.88672 30512.26953 53128.67578 3-O-(6'-O-(7Z-hexadecenoyl)-beta-D-glucopyranosyl)-cholest-5-en-3beta-ol 123738.7578 48510.98047 94158.64844 177031.2813 42762.95703 23705.54688 29811.7832 23318.70898 19968.41992 33949.72656 31267.64844 41303.80469 82066.38281 85504.11719 52022.96875 146056.5156 96904.85156 99626.22656 67631.5 11-cis-Retinol 302488.75 29683.78906 536991.5625 330576.6563 459757.1563 68898.82813 93927.39844 49364.75 40689.91797 22824.61328 394793.8125 69304.64063 220301.5625 306336.4688 61694.51953 479426.4688 205428.5313 85892.89844 182572.7188 14'-apo-beta-Carotenal 611457.9375 47301.82031 901231.375 687399.5 931878.3125 146756.4531 204062.8594 116497.5313 69745.96875 82732.20313 540595.5625 113281.0625 566379 692701.3125 109485.3359 1153259.625 434723.6875 120622.6719 300362.25 17alpha-Hydroxypregnenolone 460035.5 247334.625 252422.375 291378.0625 209624.7656 520925.1563 510759.6875 513067 584580.4375 498622.0938 973865 557193.125 326753.8125 333194.5 331542.5625 235815.9219 303447 284487.375 348433.7813 2-Hydroxynonadecanoic acid 339836 587303.6875 265466.4688 433588.875 297313.8125 961844.875 892359.8125 899083.125 4076971 2515999 1214521.125 826121.125 354037.25 537197.6875 523110.2813 196448.9688 360369.125 1081884.875 483225.3125 2-Methoxyhexadecanoic acid 93210.01563 24558.61719 129679.1094 62817.125 52469.57422 193924.5469 243460.7813 185914.6406 133125.3906 89178.5625 160865.9531 209600.7031 92049.25 59530.29297 13198.41504 67384.13281 85118.96875 38796.84766 66573.24219 3alpha-Hydroxy-5beta-pregnane-20-one 137000000 15900000 209000000 190000000 225000000 39700000 49100000 30100000 19300000 17300000 133000000 36300000 152000000 172000000 29200000 271000000 130000000 39800000 79800000 3-Dehydroteasterone 502008.5313 323735.6563 641369.4375 611468 677073.75 484787.1875 521325.0938 397094.4375 961533.625 962805.0625 874209.5625 521611.6875 544927.125 358131.4063 380865.8438 485112.3125 370906.375 668289.9375 417725.25 3-Ketosphingosine 18800000 7535340.5 95511.16406 14600000 10900000 7681944.5 6297221 5742038 33600000 21500000 35500000 22700000 13600000 9502129 7737793 13500000 11000000 9391815 6458729 3-tert-Butyl-5-methylcatechol 285411.6563 45897.65625 420051.5938 380379.1563 420064.9688 85129.84375 111321 90081.39844 60451.11719 51406.625 256751.1563 84233.57813 253584.0938 312777.5 61554.09375 610102.0625 248916.9688 110373.9922 207109.2656 4-Dodecylphenol 4650757.5 385544.625 4931758.5 2836502.25 3224119 880000.625 1298763.125 888702.5 1315394.625 1082402.625 5400835 1481213.75 3544607.75 2663109.5 517518.6875 3664893.75 2498847 524342.875 1265780.75 5-O-Methylembelin 199170.0469 83407.24219 199142.5469 120879.3203 195152.9063 404723.3125 592460.1875 586170.25 391993.75 281666.2188 391233.2188 406945.4375 151122.6875 159759.7656 37731.44922 150682.7188 163475.6406 232324.2031 389437.1563 6-[3]-Ladderane-1-hexanol 1541581.875 643305.125 2050670.25 1143988.75 788603.5625 797609.9375 923905 694648 3044027.5 5255180.5 5992813 3649310.5 1912335 877459.875 833121.0625 1141650.5 1620572.75 486125.125 1009640.625 alpha-Linolenoyl-EA 9168098 5104637 9562672 14100000 10800000 5211393 3702297 2564953 7685177 6256480.5 10200000 3475708.25 7679261.5 10700000 7026052.5 16300000 8470654 10300000 6726331 alpha-Linoleoylcholine 94547.69531 18892.31445 268672.9375 173796.6719 262946.9063 43660.36719 51279.53516 39226.46484 22900.7207 16055.48145 233690.0781 35454.09766 222625.3281 192459.0938 26387.13086 268697.125 153832.0469 44409.03906 107145.0859 alpha-Tocopherol 103570.1953 94379.32031 154440.5469 206128.9688 110439.9453 46799.67188 71461.80469 43557.89844 212302.0156 487089.875 248949.2969 59074.90625 173757.7031 196632.5156 53118.71094 202687.6563 173044.9688 75019.29688 45666.81641 alpha-Tocotrienol 290496.5938 40753.39844 38237.10547 35124.25 12750.0293 18738.83594 17077.86914 15048.21191 18148.75195 22790.11328 133687.375 93852.19531 20836.58984 20365.03906 23141.68555 44884.09766 14950.67871 0 8797.69043 Anacardic acid 60169.54297 63430.75391 58507.1875 54437.16797 81567.64063 80991.71094 77887.625 63415.18359 70345.69531 77384.95313 99776.28125 67873 0 97872.10938 62737.92188 67545.75 62770.19531 35979.64844 75910.875 Androsterone 39839.86719 8588.448242 33103.20703 19566.83398 39269.57813 10273.27832 12988.79102 25449.87109 6749176 2851146.75 1256451 8497.416992 24864.32422 35756.12109 25353.67969 61639.55469 24687.2832 0 32251.64453 Apoatropine 173080.6563 94580.28906 191715.1875 105271.6172 203564.3438 862381.1875 884845.0625 686877.3125 696631 765652.5 599020.5625 632634.5 143032.0156 170160.8281 92322.25 140147 139984.125 51027.89063 65009.48828 Arachidonoyl-EA 883548.0625 509726.4688 751335.25 697610.375 645760.5 428271.3438 404512.4375 327799.375 1117115.25 1509577.5 1954887.5 906245.3125 969372.9375 1137388.875 825066.625 1823086.5 1068313.625 2243794.5 726748.6875 Auricularine 189311.0469 70940.64844 137907.6406 84164 167276.125 323363.0938 390943.9688 367349.3125 70865.90625 177337.4844 172806.6719 340820.4375 131992.4531 132041.2344 80332.17969 136058.7813 111168.1875 83838.91406 52645.86719 Bakkenolide A 561543.375 80728.70313 898957.6875 652070 866336.5 166365.6719 201208.9844 167294.5156 106241.3359 110195.25 500938.375 182118.6875 530293.25 690849.25 114977.1172 1024301.25 523946.2188 161207.1094 316557.5313 Behenoylglycine 94808.16406 79284.57031 156404 213096.0469 188471.4375 38482.97656 62579.21094 24722.97852 35924.94531 26814.73633 44569.23828 19728.77734 154663.9531 159247.5781 69786.48438 241740.1406 101323.9063 122901.4844 51822.70703 beta-Estradiol 176565.8594 25381.60742 360254.625 190063.375 331375.9063 58738.64844 119008.4375 39661.82031 21364.3418 48268.82031 176959.75 53900.96484 209270.3594 241901.4375 44151.11719 379883.0625 118182.0703 42705.09375 98211.57813 bis(2-Ethylhexyl)phthalic acid 26700000 23200000 28400000 28300000 28000000 23600000 24400000 23800000 23800000 24800000 29300000 24700000 26700000 30700000 24100000 26900000 29700000 59100000 27500000 Buddledin A 96700.55469 114284.8047 97251.35938 114363.1875 97042.92969 140529.1875 136188.4844 136311.8594 98425.97656 105866.3359 122334.8359 154789.5938 92465.98438 93781.4375 99262.10156 81251.64063 111068.6172 87347.34375 113764.3438 Burseran 280590.7813 189453.875 257037.7969 217010.25 273845.9375 1738820.125 1757735.25 1501086.875 329691.9063 603902.3125 424820 1790247.875 256401.7031 255742.0938 222717.0156 290504.3125 223531.25 147574.6563 136190.8906 C17 Sphingosine 1014226.313 549643.875 684002 445744.0938 699858.8125 2341740.25 2048697.25 1968763.125 1386697.5 3080464.25 3080605.75 1908824.625 512379.5313 640280.0625 452340.75 436359.6563 303608.4063 217505.625 331716.75 Calcimycin 90880.65625 303858.0313 125711.4375 229529.4531 237553.875 322553.5625 294428.4688 269201.4063 126931.5469 131511.8594 123030.5781 151128.2656 125979.7031 287917.4688 264916.5 0 252102.6563 214118.375 241052.125 CAR 12:0 23679.48828 23218.78711 0 40829.00391 0 32504.77344 35987.52734 36586.71094 4645064 1840663 870725.75 30073.62109 0 0 19635.62891 0 24005.78906 42941.8125 48065.23438 CAR 14:0 21500000 8694674 28100000 16300000 11000000 9396196 8187140 8208047.5 41800000 75000000 83800000 51300000 26600000 8962467 10700000 16700000 21500000 5706490 13600000 CAR 14:1 596746.4375 728248.0625 656076.1875 386983.8438 616704.25 16700000 13300000 16000000 4935709.5 4968384.5 4166344.75 14200000 2479829 845640.375 755779.5 1601147.375 1781785.25 485715.1563 1102276.875 CAR 16:0 890510.625 913196.4375 930066.375 1538943.25 1157975.875 1078937.125 963772.5 966563.625 355148.625 832116.625 671115.875 553807.75 2268857.25 1493460.25 702613.25 1750842.375 1657918.875 1983870.5 468353.4375 CAR 16:0;OH 99691.30469 99346.03906 165338.9688 109143.8672 106732.3516 67408.14844 63181.54297 43787.34375 40703.24609 51967.71094 58738.40234 54248.34375 544647.9375 138291.7969 56000.28906 168086.0938 133926.4688 66504.92969 129960.8906 CAR 16:1 338381 183706.7813 390126.5313 365499.9063 339572.6875 457021.3438 419193.625 407462.7188 146108.9063 303970.1563 436752.3438 256882.6406 550033.4375 338201.375 231754.7813 531085.8125 640826.6875 255044.5938 116558.6953 CAR 16:1;OH 545759.375 380871.125 556180.4375 377267.4688 511766.7188 10300000 9111180 9773511 2820198.75 2895779.5 2530035.25 8901527 436335.125 503526.0313 411885.25 362007.6875 405001.9375 104739.5859 46905.10156 CAR 17:0 125852.4141 106682.6875 163164.0469 0 0 122941.6016 124845.7266 109601.8438 345748.1875 534813.8125 403340.5938 401611.125 116634.2578 0 132122.7813 0 128165.6797 73067.4375 133532.0938 CAR 18:0 1003433.438 951652.4375 1852196.875 2804317 2194359 661291.9375 826266.25 727510.0625 140509.8438 284905.625 381647.5 206556.75 4264610.5 2593268 689413.75 3617685.5 2632347.25 3088112.75 395538.9688 CAR 18:1 1619493.5 1554337.625 2233612.25 2444000.5 1980308.5 2796649.25 2615413 2528341.5 653227.875 1272088.625 1710047.5 1095133.625 3660049.5 1940159.5 1498804.5 2581027 3130159.25 1905350.5 859062.625 CAR 18:2 19696.78516 13399.6084 54760.46094 53754.04688 35253.55078 18620.15234 7638.330078 15378.0127 32479.62109 54318.70703 102852.3203 29875.82227 44654.39453 12438.20898 15165.86914 58284.77344 34330.06641 0 32786.76172 CAR 20:0 105529.5938 89070.33594 188762 305609.9063 231356.0313 59782.47656 92186.74219 55317.63672 50294.90625 60806.83594 58068.01563 45744.16016 331649.8125 212728.2031 98339.85938 354136.1563 226122.3594 101988.5469 56706.67188 Centarol 199529.8438 31676.40039 277564.1563 160498.25 159336.3438 52748.33984 74724.46094 54487.46094 53916.97656 71787.46094 197731.9219 81609.70313 145704.3906 167885.5313 30709.90039 235035.9375 144296.4219 70332.66406 85862.4375 Cer 31:0;O2 562125.25 228530.8594 555373.9375 316424 538965.625 247736.6563 287078.125 198031.3906 174670.1875 471160.5938 884469.5 247018.4063 450476.9063 490292.5 202521.4531 318770.0938 337357.9063 100333.8906 116177.2266 Cer 33:0;O2 17600000 6731272 15400000 8252361 14900000 5163018 6124720.5 4085068.25 4333534 12200000 23100000 5584668.5 9416608 12500000 6077076.5 8705236 7886508.5 2163511.75 3864860 Cerotic acid 119723.7734 66753.73438 167772.7188 163551.2813 137242.0313 73359.10938 52750.92188 46448.9375 109710.6563 58052.79297 87425.90625 38283.02734 94232.39063 182926.6719 42079.22656 105689.5938 74887.64844 37395.90625 81221.95313 cis-Vaccenic acid 410039.5 765215.5625 937787.1875 776405.3125 361986.1563 1585714.5 1175190.25 1423491.75 674056.625 355112.9375 345574.5 667501.75 720184.8125 779697.5625 484865.8125 442578.6875 385596.875 1058340.5 1222495.75 Coniferyl alcohol 0 0 0 0 0 328992 220882.8438 225537.7813 27638.06445 0 104145.9609 263125.375 0 0 0 0 0 0 39606.98438 Convallagenin A 136516.0781 0 0 0 0 0 0 0 91871.78125 58375.70313 167336.4844 203063.9063 0 0 0 0 0 6619.901855 0 Cyclopamine 116830.0703 583351.125 69267.48438 1202799.875 98245.45313 6680.303223 0 0 230465.1719 183836.5313 152882.3281 3949.005371 155235.5469 243219.2344 1015667.438 548619.125 254328.7031 348907.6875 805733.1875 Decanamide 417308.6875 333521.5938 101129.9844 238354.1719 188254.9375 266017.9375 195449.0625 221016.6719 243381.625 174921.8906 100940.7734 213191.3594 215504.5156 212758.4219 229956.5625 222872.375 319335.7188 17572.0957 206390.9688 Dehydrophytosphingosine 911694.5625 1787906 2948708 2102157 1781404.875 1058981.625 1154870.875 242775.9688 1103082.875 2048905 1268105.875 892269.625 3167122.75 2259932.75 1236557.625 2065136 1964275.125 2295348.75 1336727.25 DG 18:0/24:1(15Z)/0:0* 234560.6875 106692.5469 213201.375 139073.7344 271300.4688 109442.5156 106393.5547 69511.71875 102098.7578 280070.4375 80371.02344 99515.44531 287808.9063 281579.3125 100321.875 311312.25 244539.5469 61125.32813 175444.7188 DG 24:0 472861.25 283995.1875 789581.75 598456.3125 513992.5938 27973.75977 31382.49609 16013.0459 14310.64941 0 8224.561523 3992.919189 1480329.375 653534.25 105012.7109 1154983 507289.625 152133.5313 177380.3438 DG 34:3 150610.3125 0 56415.10938 0 0 0 0 0 1126137.875 1183839.125 1009344.625 14709.88184 82698.66406 0 0 83765.96094 18102.38281 0 21104.30469 DG 36:2 223531.5156 269872 387774.6563 490471.4063 222602.5781 257676.3281 2363141.25 244487.0938 242591.3281 385088.625 1374839.375 783013.5 546940.3125 383896.0938 531396 545736.1875 842996.6875 94219.21875 339135.4688 DG 37:5 296188.7188 1655478.25 2886774.5 1848284.875 4438469.5 934132.125 1285313.625 790303.375 103495.0625 721961.8125 595556.3125 602798.6875 1834868.25 2292647 1725895 3639809.25 1886376.5 1705230.625 1145782 DG 39:8 0 221172.7656 230907.5 90406.28125 408758.5625 161022.6094 196313.1719 174833.875 0 68751.21875 40815.57813 103507.6016 0 118213.9688 269888.4688 229661.6406 176152.7188 313656.2813 207548.6875 DG 40:0 477075.5313 52035.41406 766895 764880.5 135823.8438 34380.09766 53929.12109 33614.69531 38640.69922 64646.21484 314931.5625 196475.8438 699004.6875 237307.6094 31231.64063 756331.5 341454.6875 201633.5938 227995.6563 DG 42:9 312987.8125 346307.6875 288384.5625 269139.75 302973.1563 456777.1563 360445.9375 410098.5625 310012.6875 387855 400855.875 397730 281096 289544.75 371072.0938 243997.3594 306777.2813 424084.875 295649.1875 DG O-34:0 0 0 270818.4063 575741.75 226724.7656 0 0 0 0 0 0 0 0 0 0 0 0 0 0 D-Glucosyldihydrosphingosine 452504.8438 61869.57031 573798.25 345311.25 479349.6875 137981.6875 131543.3438 84814.82813 87481.74219 80039.92969 159999.3438 48827.60547 733356.4375 311644.8438 79566.69531 534542.75 314466.6563 83917.99219 565441.4375 Diethylhexyl adipate 598836.75 519121.25 668691.1875 591675.0625 645310.75 524901.8125 555038.75 496313.2813 531021.625 556343.9375 604617.125 477210.7813 635930.3125 563553.875 517862.8125 616932.5625 538644.9375 517341.0625 586662.75 Dimethisterone 651463.125 143416.7031 2568464.75 1349662.125 2536408.5 196170.6406 323171.4375 138499.7813 60380.60938 86820.32813 656615.25 150309.7031 785784.5 1455229.25 258246.6094 2759065.75 957586 321222.25 815105.8125 Docosanamide 722518.8125 287035.5313 1067938.625 1549174 910869 287236.2188 272070.375 241846.3438 338291.75 560501.0625 433919.0313 259288.3438 664500.6875 703443.8125 307370.1875 500664.6875 563605.75 6141253.5 425364.3125 Dodecadienoic acid 162203.0625 41955.54688 174799.125 146860.0781 177175.5938 51190.89063 83196.4375 50634.77344 76889.67188 53919.125 155443.4531 66889.64844 158548.2344 73854.94531 37606.19531 132235.5625 123800.9375 62810.11328 71871.11719 Dodecanamide 133103.7031 91942.60938 74116.07031 87542.49219 93911.64844 173826.6563 182273.1875 181126.4375 154568.4531 138469.9531 113656.875 205167.8438 97618.46875 92468.65625 96229.70313 101810.6641 97424.4375 165356.8281 69640.10156 Dodecenoic acid 92572.00781 143644.1875 80846.71094 107021.5703 117681.6641 151934.9219 240873.1875 183335.9844 120407.1641 306510.9063 90979.36719 77705.71094 99090.84375 115152.9219 157153.7656 69058 130030.4453 83373.09375 147304.7813 Erucicoyl-EA 20744.07422 4630.634766 29539.96289 55678.61328 14008.24707 4532.621582 6001.17627 4129.755371 7272.141113 8235.405273 0 5948.165527 6765.692383 0 3930.261475 0 0 15727.22754 4886.32373 Fucoxanthin 954913.9375 614115.5 862635.375 838454.0625 541294.5 271425 439113.8438 359979.8125 279387.25 383470.5938 551072.3125 377470.5 1337571.25 736759.375 419698.6875 1097667.75 716533.0625 311853.0313 172086.2656 GlcCer 14:1;O2(4E)/20:0;O 1937584.375 770464.25 1561646.625 2028056.25 1504127.625 255932.2969 308234.875 164152.9531 98812.96875 185828.1875 380965.1563 146746.6406 3042354.75 1810058.125 524879.25 2128945 1468310.75 552084.3125 304223.5 GlcCer 15:1;O2/22:0 126652.4844 123216.2188 132334.8125 189826.4688 131313.9844 78623.0625 66464.39844 65550.51563 251798.3906 248658.9063 133950.8906 71632.08594 281703.3125 179149.1719 101217.4609 146327.875 139123.7969 108689.0938 106260.5859 GlcCer 18:0;O2/18:0 90853.03125 124591.5469 401874.5313 216731.125 147975.8906 79418.60938 81132.02344 67583.03125 69655.86719 56020.25391 126700.0469 52279.44531 415463.6563 124807.5469 146687.6719 368760.625 320473.7188 51417.91016 124286.625 Heneicosenoic acid 124739.5313 65029.03125 205659.2344 137202.0938 152651.1406 51968.69922 54012.10156 42645.34375 67224.35938 47025.67578 215822.125 55765.66797 119433.0703 120806.5391 44835.78516 180219.8906 127907.7734 59877.5 85296.98438 Heterodendrin 68292.32031 291561.1875 107636.4375 220580.4063 119146.3359 108846.4688 91329.79688 99941.17188 103855.8828 108252.9766 46464.69141 41645.86328 140586.0625 122429.8516 196501.875 187706.7344 161167.1563 289345.4063 115415.8516 Hexadecatrienoic acid 111676.5234 54494.87891 49294.61328 64690.23438 43674.66797 61112.39844 70058.28125 48798.45313 390796 140362.4844 198188.8438 221649.8906 94566.625 68857 51199.47266 102361.8359 61928.82813 93258.07813 44387.58594 Iridotrial 34130.23438 36330.18359 32221.21094 28518.17773 43087.74219 492553.75 406298.6563 440345.4375 170194.0781 209140.8594 174438.5469 421481.9688 0 19598.14063 28871.76758 0 25439.83984 43617.90625 35788.60547 Lacinilene C 7-methyl ether 215840.3906 189504.6406 321570.1563 262709.5 288053.6563 240662.125 213996.3594 176206.6563 189545.3438 205124.3125 294291.2188 198897.375 238567.8125 278111.125 171298.5781 318800.3125 285592.6875 458272.4375 214202.4844 Leupeptin 359425.3438 615159.3125 269420.7813 309992.25 295634.875 2421933.25 1698073.375 2399635.25 1028606.063 1077860.875 542783.3125 2530083.25 230970.1563 278170.6563 536386.375 187438.9063 290898.0625 411187.9688 758471.625 Lignoceric acid 133324.0313 77128.59375 265531.9063 251173.4844 153912.2813 113072.7344 54473.90625 45559.30859 142915.2813 68313.9375 113655.625 37375.69922 166407.9063 266768.6563 54175.66016 114919.7188 109967.9063 38569.19531 100129.2109 Linoleamide 731791.25 995483.6875 698711 875603.75 573340.3125 1210529.125 6116549 1306304.375 1547431.625 1582240.375 2396765.25 2624685.5 707815.375 897610.9375 1129094 255581.2188 1088561 491091.875 891669.6875 LPC 12:0 279844.125 284580.0313 1307413 477826.8438 589566 337365.5938 534000.9375 449778.6563 0 0 0 0 1565201.125 719189.625 176170.625 965046.6875 638581 386537.0313 261198.7656 LPC 14:0 1744060.25 1330091 6105421.5 2822121.25 3820281.25 1617917.625 2098239 2221180.75 490172.2813 690620.25 1765133.125 1372184.875 6310035.5 3967439.25 1368355.875 6368348 3428148 3171898 1571287.5 LPC 16:0 583000000 282000000 650000000 621000000 637000000 220000000 280000000 215000000 157000000 292000000 446000000 296000000 654000000 678000000 291000000 910000000 546000000 403000000 282000000 LPC 16:1(9Z)* 14500000 5374605.5 21900000 16800000 22000000 6191495 7810124.5 6556501.5 3828958 4912207.5 14900000 10700000 20100000 20900000 7446337 37100000 24000000 12300000 6136381.5 LPC 17:0 19100000 2300680.25 9741279 7532411 8366380.5 2124945.75 2749144.25 1806703.5 3043548 7350885 18200000 6519013.5 10500000 9543287 2805165.75 13700000 5898221.5 4999938.5 2504270.25 LPC 18:0 673000000 283000000 917000000 740000000 849000000 196000000 254000000 171000000 105000000 224000000 459000000 183000000 923000000 865000000 294000000 1070000000 650000000 374000000 269000000 LPC 18:1 285000000 226000000 710000000 514000000 609000000 255000000 309000000 258000000 70500000 79500000 244000000 139000000 673000000 566000000 254000000 735000000 532000000 338000000 273000000 LPC 20:0 10800000 1527003.625 9635345 5501037.5 6126495 881808.25 1209187.125 805098.5625 1426593.625 4773588 7900596 2952109.25 9527128 6181037.5 1617905.25 10100000 4524801.5 1541147.25 1169390.875 LPC 20:1 7340909 2484162.5 8575148 6595152 7748402.5 2286585 2944000.75 2270541.25 2166644.25 2711315.25 8734586 4734298.5 6055245.5 7130766 3987371 11700000 6561225.5 4265058.5 3651932.75 LPC 20:2 5522034.5 1315647.25 5929557 4910168.5 6819047.5 1347894.25 1617901 1149358.5 1354765.75 1558440.375 5316027.5 2256820.75 5062162 5951672 2170961.25 11100000 5388923.5 2945584.5 2149346.5 LPC 20:3 58600000 21800000 79000000 66700000 84800000 22800000 24200000 15900000 14500000 15800000 44800000 22200000 55800000 65100000 33900000 107000000 54700000 42700000 34300000 LPC 20:4 99800000 66800000 149000000 173000000 197000000 69800000 65500000 47400000 45000000 47500000 98300000 66100000 117000000 173000000 102000000 219000000 139000000 150000000 105000000 LPC 22:0 2921040.25 1205798.875 3166695.75 3372568.25 2890326.25 641995.5625 781473.9375 529503.25 400898.5938 1150868 1703088.25 729874.125 5229918 3398880.75 1075290.75 4683545.5 2564206.25 856781.0625 721931.8125 LPC 22:5 2210079.5 1203668.75 4071054.5 3883352.25 6018982.5 1612301.375 1902975.625 1333419.625 998210.875 2054192.875 3186355.75 1709559.5 3823389.25 5488383 2712076 8289104.5 4104809.75 3711112.75 2349132.5 LPC 24:0 1303167 842156.0625 1745545.5 2221081.25 1992738.25 329792.1563 400930.3438 224489.7031 297590.4375 908708.125 975583.125 384194.0938 2770659.5 2274222.75 873504.75 2971538 1574958.75 732451.1875 439304.2813 LPC 24:1(15Z)* 533568.75 212354.8125 540918.5625 521805.375 428244.1563 143173.75 154016.0625 130113.9063 133648.9375 287758.875 424042.7188 230254.6719 638306.8125 424887.4063 196488.0313 736735.5 376072.8438 218786.3906 155511.9375 LPC P-16:0 or LPC O-16:1 1183565.75 161903.3438 667234.6875 116601.7109 519424.9063 252167.1875 242484.8438 257731.9219 362021.9063 453727.5625 1294067.125 585726.1875 586010.8125 609320.25 304044.5313 901959.25 400165.4063 173043.9375 0 LPC P-18:1 or LPC O-18:2 1427629.875 712429.5 1650600.75 1393252.5 1931666.625 456001.8438 653207.875 484024.7188 426031.3125 639019.3125 1249077.25 524193.8438 3149357.25 1713711.375 751785.3125 2865436.5 1651618.625 1504271 537124.4375 LPE 15:0 160423.4063 149946 162840.0625 179424.6875 172760.7813 128680.5781 135327.6563 140464.375 123722.7891 163668.2031 161566.2344 134455.0938 215219.4688 195438.4219 144807.5156 235500.9844 211770.8594 121816.4219 149016.3438 LPE 16:1 321951.125 310753.3438 569909 556174.8125 499484.9063 141484.8906 226955.8281 170738.9688 489633.125 243674.6719 392808.7813 132969.6875 548612.625 494537.8438 489333.5938 734758.4375 548476.6875 517521.7813 270613.6563 LPE 18:0 2186284.25 491638.5625 1987963 1307662.5 1514290.875 661092.3125 751173 645021.5625 820018.6875 1572664.125 3186698.25 1673699.125 2056904.375 1530925.875 616069.5625 2803299.5 1339243.875 1513077.875 652931.25 LPE 20:2 233981.375 50725.93359 271439 162866.8594 187235.1406 57017.39063 63576.3125 59713.87891 110835.3516 91851.73438 320372.4063 117969.1719 218767.2969 148610.6406 44003.88281 233102.2813 148585.5156 78451.17188 55761.98047 LPE 22:0 15400000 665230.25 4192858.25 2890242 2340279.25 570664.8125 786869.5 547763.625 2626547.75 5369177.5 16300000 4332711 3767459.75 2700834 1131212.25 4869551.5 2029616.5 1089214.75 776337.375 LPE 22:1 774365.5 180123.9063 575426.3125 450537.5 531621.75 175584.1719 190785.8125 156329.3281 217507.7031 278815.75 1130844.5 447271.25 484316.6563 515187.4063 229599.3125 767820.3125 495308.625 281626.9375 216881.6875 LPE 22:4 120191.7578 78667.71094 243913.9844 206649.4375 149237.3438 64323.19141 72873.50781 39173.51172 51309.44922 58467.32813 130193.5234 57440.35938 250817.4219 162267.2813 71824.47656 268068.2188 167843.0313 131046.1016 82767.35938 LPE 24:0 415820.8125 59190.05859 211199.5313 362841.9063 181800.9531 0 70636.59375 0 79649.34375 278605.9063 437035.4375 197142.5938 330281.9063 310808.4375 56530.59766 359707.9375 138094.7813 83941.42969 0 Magnoshinin 2084151.625 1216757.375 1435262 1206210 1552391.5 7252056 7447761 5493568 1669712.5 2172349 2353359.75 7435296 1386295.875 1417462.375 1309910.75 1528377.75 1379005.5 1240275.125 4402334.5 Margaroyl-EA 15000000 2692392 30400000 18600000 20900000 5436015 6804120.5 5504230 7322631 2942320.5 17100000 3248105 24600000 15100000 3303103.5 31900000 14500000 2858861 10900000 Margaroylglycine 832640.3125 293994.3438 332688.5625 296890.7813 187949.9844 221413.3125 243901.6094 183098.0938 1039886.625 774134.8125 1113869.625 1585486.875 387523.6563 328502.5938 210323.9844 335411.8125 246232.6875 268686.625 173486.4531 Melibiose 170050.1094 13157.47461 232961.3438 176742.3594 234771.5781 52967.94141 68690.92969 22884.08594 13786.6416 23129.48633 165136.0625 42200.96875 151379.625 192235.5469 20450.23242 261827.0469 146666.9688 59776.6875 84211.19531 MG 0:0/16:0/0:0 780000000 628000000 690000000 704000000 645000000 649000000 699000000 628000000 485000000 592000000 586000000 655000000 963000000 791000000 482000000 709000000 636000000 534000000 701000000 MG 0:0/16:1(9Z)/0:0* 373491.0938 239719.875 855960.6875 529222.75 374670.5625 304377 264625.875 277478.75 4843487 1528194.625 1588079.5 475758.4375 536498.8125 333467.4375 244490.7188 756926 788635.6875 191807.0781 453335.125 MG 0:0/22:0/0:0* 4629473.5 2263645.75 2905781.75 2912298.25 2647008 1263938.125 1304263.375 878920.4375 1449394.75 1836123.875 2450719.75 1398012.25 6229362.5 3976867.25 1732286 4652137.5 3329268.25 3242548.25 2359315 MG 14:0 9423542 8218833.5 8089191.5 8557646 6468855.5 16300000 15000000 15000000 8547477 9977671 8055065.5 15200000 11800000 8980213 6260081 8672980 6908830 8284496.5 14700000 MG 16:1(9Z)/0:0/0:0* 133374.0938 149543.375 101816.1563 127482.0469 56454.54688 103993.5938 108824.3359 54851.14844 174860.9375 60860.29688 88583.20313 140305.0938 192389.8281 158631.8125 104920.7188 214451.4688 107998.4609 204160.9531 71307.33594 MG 18:0/0:0/0:0* 731000000 576000000 653000000 629000000 621000000 517000000 542000000 456000000 430000000 509000000 518000000 530000000 831000000 728000000 462000000 692000000 610000000 507000000 633000000 MG 20:4 947253.8125 147238.125 351931.375 370175.75 276491.625 237905.2813 77405.55469 118807.1953 161372.7813 355537.4688 613335.0625 221302.7813 412847.9063 181823.2656 137536 314218.3438 453285.2188 115379.8984 272453.2188 MG 22:0/0:0/0:0* 723110.875 426095.4375 448214.4063 474554.8438 528278.25 432491.9063 411507.7813 547940 417915.5625 339051.9375 373881.5 463311.625 440325.25 601552.0625 441519.4688 361214.7813 472072.3438 342026.8125 613563.1875 MG O-16:0 32100000 1227790 14100000 13000000 2110488.75 1813886.5 2032716.125 1535614.75 2419366 2606252 6886956 4221601.5 14700000 6362359.5 1499569.875 18600000 5167600 2865151.75 2946083.75 MG O-18:0 50700000 3139506.25 26600000 33600000 4741617 2852578 3096587.5 1947092 3360277.5 4131491.25 10100000 4818541 25300000 12200000 3803783.25 41000000 10900000 9024125 6713190.5 Militarinone A 716482.8125 493193.3438 637996.25 611053.4375 665246.5 3373046 3278359.75 2609691.5 733515.0625 981878.25 944716 3245766.75 648407.0625 674228.4375 569740 690553.625 628587.5 731217.6875 334222.5938 ML 236C 287791.0938 102833.2422 240669.9688 180571.625 227597.7813 717334.5625 673689.25 737800.0625 178264.5625 278371.0938 278372.0938 730269.25 278362.1875 246147.7344 153896.2188 248951.0625 206175.9531 228727.1875 236242 Nebrosteroid M 49122.35547 102890.7109 338144.9688 288859.5625 120355.9063 62518.15625 73356.52344 73554.82031 67865.23438 102250.9531 151061.1563 41480.52734 262902.125 133654.7969 50586.19922 218929.125 157781.2188 103369.2422 146433.9063 N-Oleoyl glycine 71259.40625 81915.53906 66567.80469 72654.1875 49842.90234 730123.8125 554523.5625 833565.25 790656.5 517839.8438 423714.9375 657048.0625 63511.78906 63789.57422 47040.33203 34455.41016 75197.75 47873.08594 34871.96875 N-Oleoyl threonine 440095.4375 215183 259264.4688 213858.6094 131583.8594 816221.4375 776144.9375 776583.1875 310247.5 389463.3438 762132.375 983935 272411.3125 129637.0234 248961.9844 137289.3125 292578.9375 127997.1797 352052.9375 Nonadecylic acid 4707941 546315.1875 6275050 6451015 5646735 1456670 2434473 1360315.125 1219970.625 565277.3125 3840103.75 1685194.375 8861032 4530085.5 553922.6875 6665871.5 4073255 939360.9375 2736862.5 N-Palmitoyl threonine 25165.95117 29897.48633 0 0 0 19489.61719 24240.45898 23316.24609 6434435 3144672 1485176.5 34205.55859 0 0 13705.87598 0 18513.76758 41551.18359 27427.89844 N-Stearoyl glycine 124620.7969 43494.83984 40797.12109 43968.91797 66033.85938 53074.41797 38413.21484 37507.91797 1481714.25 992282.875 1948205.75 71983.84375 65805.25781 54872.10938 45748.66797 74609.32813 57121.71484 76233.71094 46566.27734 N-Undecanoylglycine 274172.625 126604.7891 264161.6875 138094.0156 168192.5313 100984.1094 138792 177926.3281 121495.8125 225392.375 139126.2656 83917.9375 163910.7188 308068.4375 239804.0469 155789.5781 249721.3281 840188.4375 206722.8906 Oblongolide 354232.1875 44868.97266 565667.75 502338.7813 592887.3125 105843.2109 138203.6563 79947.52344 69890.64063 55409.55078 379840.25 104621.4297 404573.1875 502343.5313 88919.54688 905142.875 338299.3438 106025.7969 228271.5938 Octadecatrienoic acid 2665663.75 882974.75 847202.75 1028385 682177.8125 745052.1875 951241.75 445852.5 11300000 2725386.5 3039609.75 4232980.5 1748821.25 1416639.125 758508.875 1988872.375 1084279.125 1507361.75 751486.0625 Oleamide 4433811.5 4762598.5 3979617.25 6695759 3779980.75 5914255 49600000 5945647 6520382.5 8816723 27500000 19400000 5058696 7308007 7994147 6169292 9198356 2800864.75 5144065 Oleoyl-EA 1620553.25 710124.5625 1572124 1269884.125 948455.25 1351087.75 1532139.25 1263317 1204041.625 1376780.625 2120528.25 1820817.875 1257088.375 1351397.75 829182.75 1208729.875 1304233.75 603128.4375 1326347.125 PA 17:0/0:0* 160541.5313 178903.8125 363092.4063 487762.5 277122.2188 290953.6875 127622.8359 132276.5 179178.9063 436675.9063 435861.9688 177990.125 230542.7031 156272.5 298380.5 418693.9063 437083.25 186841.9688 379211.8438 PA 22:0/0:0* 159647.4375 209632.7656 237735.7188 218193.7188 264141.0313 68130.88281 52086.31641 43134.81641 0 52140.98828 11664.98047 29699.28125 364345.9375 232590.1563 119362.2266 310759.9375 231571.2813 83838.91406 228789.25 PA 39:0 311995.75 288188.75 293813.875 277418.625 271769.3438 361222.5625 325677 260432.5781 249244.875 275729.4688 334619.375 342229.8438 381680.5625 279968.2813 288708.75 327288.7188 286693.5625 276942.2813 265027.3438 PA 40:3 106486.2734 1116319.875 1541665.25 2545626.25 2466010.25 676717 606923.9375 297952.6563 115781.9219 182441.9063 294547.9375 128696.6953 1531493.375 1532765.25 461691.9375 2440278.75 1179178.625 924965.75 523042.0938 PA P-37:0 or PA O-37:1 0 0 21574.23438 16994.16797 0 0 0 0 137393.0625 71175.67188 93392.07813 30586.60742 36838.8125 0 0 22755.00977 0 284448.3125 0 Palmitamide 890159.75 931626.1875 1182331.5 1465784.625 968190.75 986120.6875 5471403.5 866442.5 1269739 1417899.75 2891997 2087954.5 1361750.375 1550287.25 1724651.5 1307310.5 1575863.875 12700000 1088512 Palmitoleamide 93445.79688 79307.88281 79754.41406 107672.0391 73653.36719 80949.10156 421628.5938 84147.07813 55259.35547 183684.7188 181573.2969 288434.5313 92773.82031 92601.04688 104911.9688 94804.61719 166539.2813 71599.9375 92155.35938 PC 18:1 1165084.875 524927.375 1594467.875 1165586 1752184.375 569861.375 831459.125 641534.8125 544121.4375 757701.6875 1491902.75 755527.625 1407348.625 1378862.625 794135.5 2478138.75 1420067.5 1047422.625 554312.4375 PC 18:2 647000000 239000000 806000000 541000000 593000000 280000000 319000000 250000000 321000000 360000000 694000000 371000000 629000000 521000000 254000000 694000000 535000000 335000000 287000000 PC 22:1 610121.0625 260764.625 783745.125 567317.625 504902.875 176978.6406 270516.875 223334.7813 212176.7969 358809.5938 617481.8125 411148 681925.75 519660.75 254654.8438 684546.3125 445763.6875 283259.7188 301694.0313 PC 24:0 205135.6563 872678.375 861341.125 1119097.125 658664.1875 823640.4375 813757.5625 759611.1875 14252.51953 11737.07617 0 0 3971090.75 1143739.625 272990.1563 1126761 1308695.5 1049703.75 263146.6563 PC 26:0 837508.125 998043.8125 878526.875 827428.5 899784.125 407091.75 492100.1563 410016.3438 421521.0313 583202.5 657353.375 314077.2188 896910.1875 956077.5625 731761.0625 682523.1875 809208.3125 348196.5313 790578.75 PC 28:0 7281797.5 10900000 23000000 21400000 12100000 3439179 5807082 3829260.5 35800.03125 52836.50781 132271.6094 62298.11719 65900000 22200000 3544622.75 22200000 16900000 4643173.5 3166742 PC 30:0 10700000 11600000 21900000 22900000 17500000 4090780.75 5354263 3849549 973594.875 1798560.875 3259375.75 1743804.25 54800000 26700000 5620637 27000000 17400000 11700000 5657961 PC 30:1 1910971.375 3509379.75 6353641 5968568.5 3445903.75 1574545 2631336 2159085.25 83484.625 117078.1953 247217.4844 136226.9063 19400000 5743368.5 1575167 7163101 6199931.5 2185229.75 1156318.75 PC 30:2 492237.5625 543333.8125 1043318.063 872461.625 575556.9375 312736.1875 523964.8438 486364.1875 23476.78125 15094.30859 35798.69141 19909.80664 2666874 929423.9375 247393.5156 1288655 1093343.375 340611.625 234442.7188 PC 30:3 52174.97656 66935.49219 131209.8438 170856.125 72240.46094 46844.23047 99284.07031 75033.39844 0 0 0 0 430917.9375 160020.8281 26749.58008 113463.9609 129134.8672 28495.2168 29340.54883 PC 32:2 7114785 10400000 18500000 15800000 13600000 4647134 7221483 6495522.5 2243170 3445189.5 5935993.5 3609500.5 41500000 18700000 5307693 21900000 17400000 7829853 4365798 PC 32:3 328490.5625 566173.5 1348485.125 1059840.25 767622.3125 236407.4531 403954.25 410540.9063 74883.32813 83505.84375 170608.75 72707.89844 3631078.25 1063038.75 232471.0938 1336406.875 1024593.375 365125.2188 260870.4375 PC 32:4 46631.16016 137794.625 209085.0156 221390.0781 158247.8906 61435.27344 67726 62498.67578 0 8580.18457 22093.4375 6337.153809 369314.2813 269814.875 79533.44531 529226.125 281104.5625 131644.5781 64469.25391 PC 34:3 110000000 134000000 232000000 271000000 185000000 50900000 64500000 44700000 23600000 42500000 69900000 32000000 394000000 251000000 70900000 305000000 231000000 81200000 52800000 PC 34:4 2547845.75 4914785 8096014.5 9454873 8030613 2485823 2681810.75 1913252.125 718950.75 1388070.125 2266279 1114193.75 9826541 9644258 4011697.25 11400000 8258939.5 4889173 2884769.25 PC 36:6 1079013.25 1918093.25 1489241.125 3946979.25 3948797.5 1286368.75 1120081.375 623391.5625 255075.9531 464201.4063 738767.75 771159.3125 3707374.75 4538230 2197766 5834962 3598871.25 2301090.75 1257530.25 PC 40:9 406499.4688 845380.125 1028227.188 1356186.625 1426538.25 383231 555863.5625 309027.0313 112023.8047 256845.5781 442051.4063 301603.4688 1300562.875 1466156.875 802862.8125 2068189.125 2090118.5 770205.9375 445002.25 PC 42:10 3986141.75 1739795.25 5721864.5 3258367 3264956.75 197278.0469 249777.1719 128914.9141 303303.4688 632066.75 1242990.875 318052.4688 1945441.875 4120783.75 338632.75 1147987.375 1806145.625 312107.4688 525572.8125 PC 42:11 85022.10156 193565.4375 215968.7344 269911.4063 261176.6406 81845.58594 115841.8125 58841.39063 0 60074.99609 84951.65625 35623.17188 327306.6875 278165.375 165750.2813 447392.5313 413229 160728.4375 105825.7969 PC 44:11 965621.375 266858.625 589812.4375 673885 503559.5 1312137.125 740421.625 447247.6563 152955.3594 335588.5313 655875.375 118019.5469 1075588.625 567592.875 193581.5625 760433.125 589226.6875 200704.7969 127867.2891 PC O-20:0 719533.5 399449.4375 933914.3125 925644.125 770798.0625 246329.8906 288951.6563 236037.6563 217546.2813 288856.75 650879.5625 283052.625 1309187.125 1034881.125 264153.0313 1188439 860077.625 366098.0938 310212.5625 PC O-24:0 176638.8125 78695.72656 263504.4688 199037.6875 171110.8125 27717.67969 35714.59375 8599.15918 36806.875 59919.38672 101805.1406 27908.625 286191 257810.4375 60655.28906 261533.7969 148883.0156 98944.85156 57262.73438 PC O-36:0 0 0 0 109094.2422 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PC P-22:3 or PC O-22:4 507958.6563 256515.9063 643004.75 818281.9375 600917.25 119951.4844 155844.6563 96559.96094 89924.76563 118026.3438 163439.1094 89262.32813 1300944.5 828720.625 191170.125 1079748.125 425068.1563 197244.8594 164173.8438 PE 28:0 110149.8906 86198.40625 182638.9531 173507.4063 94808.71094 27237.55664 35574.86328 24301.73633 0 0 0 0 440394.0625 154682.1094 27620.17188 144008.625 142875.7656 30710.05664 33632.89063 PE 29:0 496063.0313 1342162.375 2377705 2809751.25 1633083.25 700994.1875 920050.5 774644.9375 0 7461.547852 0 0 9107552 2819698.25 392790.75 2797647.5 2289245.5 594760.625 360287.8438 PE 30:2 96751.72656 103293.9766 204537.875 130652.7266 133991.2188 44232.41406 51944.71094 26255.18945 0 0 0 0 270892.9688 176125.6563 48306.95313 243702.5781 209834.75 77654.77344 38377.87109 PE 32:0 174519.2031 95378.84375 235852.375 281192.6563 147134.125 39628.01172 55064.55469 39968.28906 24809.23242 39601.22266 77815.38281 31769.74219 656014.8125 226794.7813 52060.42188 300076.5 189425.3281 152640.3438 40656.73828 PE 34:1 7855190.5 6810903 6673488 7339585.5 6796922 3497861 3586007.25 3308933.25 2698956.5 4296775.5 4970659 3071439.25 8820292 8182649.5 5767923 6982359 6328884.5 3094561.25 4529216.5 PE 36:2 22300000 6167792 14400000 14700000 10700000 3866235.25 4488150.5 3153077.75 6106613 14600000 19600000 7016152.5 21300000 13200000 4345679 17900000 12200000 4671331 3560605.75 PE 36:3 2573089.5 3121397.75 5401427.5 6462389.5 4528913.5 1206438.125 1580249.75 1154534 568678.3125 1009493.063 1714314.375 757042.5 9239610 6349890.5 1744454.25 7601523.5 5466595.5 1995451.875 1376857.875 PE O-16:0/13:0 44109.375 31879.92969 55393.3125 82141.95313 69707.5 10845.18164 9514.285156 4376.419434 10384.8291 37110.875 30263.26172 18650.72266 86069.36719 96433.27344 34996.69922 119543.5859 62435.84766 48307.43359 18543.50195 PE O-28:0 129162.5938 45010.08594 73562.90625 92147.625 72354.00781 10069.08203 9393.200195 0 21618.73828 56545.28906 85276.21875 30341.66016 86219.61719 103846.7109 41518.04297 137954.7813 62465.76953 38742.6875 19918.3457 PE P-16:0/13:0 or PE O-16:1/13:0 54975.36719 29611.66406 60924.71484 64719.54297 69298.70313 12514.36426 16209.73828 9461.810547 17593.21484 47359.40625 53490.53125 19364.52148 79949.60938 71820.67188 28610.72266 83597.59375 47974.24609 27877.39648 17410.48633 Penaresidin A 179155.9375 81393.08594 187097.5781 155748.1406 139606.4219 92333.67969 106936.3359 73064.17188 127565.9688 195410.8125 164099 107652.1719 206459.75 160765.9219 73250.82031 216388.8594 191248.8438 107801.7734 115965.5625 Pentadecanal 1636400 1877398.25 1524266.625 2152397 1769206.5 6829831 4790617 4893037.5 4051121 4401314 4724987 4632073.5 2125457 2290125.5 1697704.625 2517756 1666967.875 1199836.375 1590514.25 Pentadecanoyl-EA 2624730.75 2803374.25 2419854.25 2683590.75 2709585.5 2437399.25 2444767.5 2654076 2070886.375 3557102.25 3711198.5 2443226.5 2693954.25 2651893.5 2285629.75 2656710 2817124 1874771.875 2125680.25 PG 31:0 1100044.25 671514.3125 929424.1875 1005088.75 970911.6875 338000.8125 379340.875 363718.9063 318342 502595.7813 568257.125 320383 1443999 1079354.5 511582.3438 984330.4375 767471.5625 302989.5938 494536.6875 PG 33:4 158782.125 121662.9688 131503.5156 142893.4531 126083.6016 63856.46484 72907.78906 65882.57813 46717.83594 75649.15625 101050.2578 55442.56641 160974.4375 143395.0469 92491.88281 139085.125 130853.8359 57485.88672 73507.47656 PG 36:1 259369.6094 379912.7188 840159.25 569335 424472.9688 293442.6563 560194.75 645596.5 0 0 23267.97461 43883.23438 2854488 676239.5625 135208.6406 773151.9375 739117.9375 383950.5938 130605.8516 PG O-32:0 369213.0625 364179.6875 521722.3438 891835.9375 634504.5625 457055.2813 264630.6563 226381.1719 511563.125 600746.625 902263.1875 319000.8125 316905.8125 576463.5625 503751.1875 670335.75 490616.9375 246434.4688 416424.5313 Phenylpyruvic acid 144625.625 57748.19531 116028.5156 80697.75 97369.0625 341499.9375 309614.1875 330302.25 119895.0234 126732.5859 117206.4453 334177.3438 130359.5469 104433.5625 71348.89063 120878.1797 87227.75781 113189.9453 110774.75 Phytosphingosine 328096.5313 632848.1875 704317.875 712397.6875 276159.9063 1205908.625 977216.6875 1149730.25 580967.1875 239583.0938 246301.0469 581018.1875 499789.2813 370778.5313 528583.625 374612.125 242134.4688 800474.375 1037064.563 PI 36:0 27100000 7196561.5 18600000 18500000 13300000 2067801.875 3023995.75 1708895.625 2473950.75 5790895.5 10600000 2724016.75 37100000 16300000 3592940.5 21700000 15500000 3886240 2793134.5 PI 37:4 1279651.875 137777.9688 410937.5938 592261.4375 378670.9688 41773.79297 47550.99219 24805.28906 111960.6094 306418.5 599940.1875 101222.5 696567.5 484764.7188 125416.9688 811456.5 283947.5313 117945.9141 71005.4375 PI 38:7 895193.25 808173.1875 829230.25 971518.9375 1040204.375 247718.0938 257542.5156 140253.9219 229030.7656 617381.75 880617.75 296190.625 710549.125 1010738 748069.125 1016121.125 1003086 559356.375 491676.875 PI 39:4 922290.4375 227974.8906 227687.7188 267669.4688 249601.7813 78391.64063 72695.92188 45624.16797 138789.7656 110740.2656 821470.375 121365.2109 229693.8594 326072.9375 225375.7031 360532.8438 171125.1875 146027.0938 124864.5938 PI 40:8 129663.2109 136059.1875 95849.55469 132483.5938 163230.3594 74566.54688 87830.50781 78546.49219 59686.40234 100132.1641 203333.0938 110010.0938 86311.53906 141146.3594 171750.4844 162076.4375 158037.7031 141807.5938 100367.5703 PI 40:9 69674.375 148319.1875 165988.5938 163351.1563 183323.5313 37291.66016 52415.09375 31459.60547 27516.64063 56450.06641 102581.5313 51960.5 139099.8594 176432 112876.7969 181508.2031 144837.5469 110790.0703 73943.84375 PI 42:6 0 0 0 0 0 54876.92188 45685.97266 78771.625 0 0 0 61620.41406 0 0 0 0 0 0 72369.65625 Pleuromutilin 0 0 0 0 0 51614.99609 50784.35938 49136.60156 19647.51172 17436.21484 31042.81641 62133.73047 0 0 0 0 0 0 0 Pregnanediol 33000000 1838724.5 49700000 31400000 44000000 5378446 7946929 3870098.25 3258036 2646097.5 28400000 5830472.5 28000000 28400000 3655279 58600000 19300000 5218219.5 12600000 Pristanal 91126.28906 39329.625 106276.4688 51745.29297 92427.9375 401443.3125 403405.0938 342167.0938 127060.4531 445465.3125 621689.3125 406986.9375 71605.23438 89892.92188 39523.92188 69327.21094 72187.67188 20658.26758 20042.94531 Prosafrinine 128011.0625 103756.5469 129851.7109 113516.6797 130993.1172 167874.875 130020.8984 142141.7813 124662.3594 155476.6719 103401.5156 145266.1719 115417.9297 131109.4063 114614.3125 108657.1719 115822.7969 87468.69531 96645.33594 PS 30:0 102358.2891 167554.4063 147783.8594 241632 185211.9219 49876.53906 29617.72461 43149.16406 27498.07031 22683.24023 24922.15234 27297.61914 401002.5625 124440.7578 91152.05469 181019.0781 133974.1094 145698.9063 25726.92969 PS 32:1 721093.25 168378 345674.4063 474001.875 336508.2813 79936.96094 98106.77344 89227.46094 76246.82813 88024.13281 278862.5625 106210.8047 593812.25 298485.2813 133552.8125 585675.8125 347352.5 465794.7813 66454.03125 PS 34:0 2121615.75 890763.5625 2025512.5 2444547.75 1228602.5 303781.625 386568.7813 269312.125 150044.2188 412333.9063 1144963.75 249964.9531 5260301 2252458.75 327321.0313 2255505.5 2102994.5 454420.9375 395544.375 PS 36:0 2751448.5 977565 2304133.25 2534204.25 1672841.375 444918.6563 541274 477455.9375 165692.0625 346111.5625 875344.1875 252106.2656 6613093 2294529 307692.8438 2203205.25 2380197.75 517670.9688 265096.5 PS 38:0 101197.5391 183224.9219 246091.9844 170004.8594 146108.0469 104907.2734 221972.1563 221567.2188 147834.5938 102499.5703 92309.17969 48917.5 1040099.5 271386.4063 71768.60938 297074.2813 235122.3125 197191.3594 64714.98828 PS 38:1 67094.04688 122093.6953 0 162727.0469 0 229311.3125 279986.2813 319636.1563 64592.83203 88733.39844 157218.125 180674.2344 0 0 129543.8984 0 0 107735.3203 246956.5313 PS 38:2 104549.9141 140429.7031 182337.0313 238374.5938 212018.3594 123593.8516 139227.2656 130440.5703 3765737.5 1038586.938 168016.6719 66202.60156 594857.625 226652.0938 55086.65234 266150.125 239705.2813 261087.0625 41683.71484 PS 40:2 179067.6094 234111.1094 214778.5313 324821.5313 90237.96875 536325.4375 534844.875 547530.6875 57236.57422 78446.21875 185407.7656 194735.7344 108844.7578 234199.3438 238585.7344 84310.70313 83592.36719 325136.5938 461059.5625 PS 40:3 116903.0078 93982.21094 0 86874.38281 138256.9219 145095.6563 149306.625 174919.2188 42484.96094 28299.34375 127537.125 120294.8984 77139.61719 0 94404.25781 0 58454.73047 117486.3203 92591.94531 PS 40:4 500780.8125 205976.8906 683592.125 526979.75 491699.4063 204183.7031 216905.3125 143729.4219 340532.4688 316612.6563 596830.6875 425306.625 625752.375 481209.7188 162185.2188 532538.1875 401438.4063 247589.3594 163602.9844 PS 40:5 295857.3125 88944.0625 184924.5781 163337.6094 134464.625 82517.60156 131920.5156 57281.09375 451911.1875 257923.8281 583828.1875 419532.25 263287.8125 233435.5625 93393.85938 310281.2188 191724.0156 112057.2344 100945.5547 PS O-16:0/22:1(11Z)* 826879.1875 4130845.75 8185456.5 6466488 5484090.5 1186479.75 1777097.5 1348018.125 54899.99219 67951.1875 108886.2266 22518.08008 21600000 6972502.5 1290974.25 7075385.5 5962557 1877419.375 1070864.25 PS O-18:0 202051.5 263985.9375 145456.2656 450583.0313 254207.1719 189798.5313 146273.2969 175028.5156 143012.75 289965.3438 97999.57031 211538.3438 607787.75 450992 227533.8594 522722.1875 433908.1563 425526 66329.96875 PS O-20:0/0:0* 631143.25 1097244.5 344810.5 1372291.875 698960.75 432267.1875 463070.4375 322487.3438 357932.5313 612388.5 118520.5 383948.1875 1971839.5 1334956 809860.75 1208098.875 1479545.25 830752.25 144784.5625 PS O-34:0 58348.20703 84873.01563 86856.24219 178733.5 104415.0859 23009.7832 21188.16797 20440.60352 0 26664.8125 17265.38672 20160.30859 279737.375 175130.6563 45144.4375 188171.3125 123639.2813 93663.22656 37544.59375 PS P-28:0 or PS O-28:1 505403.5938 367402.2813 345505.6563 587297.8125 516668.625 151120.0781 136653.625 120391.0078 171407.4063 167124.9688 293124.4688 108691.7109 710728.0625 451594.7188 257139.1094 629149.0625 291080.75 551211.25 80571.1875 PS P-29:0 or PS O-29:1 5742460 3189741.5 5008411 6318698.5 5014423.5 1252654.375 1344226.75 1379975.25 1167066.875 1027492.188 2286556 985559.5625 7744970.5 4746054 1936010.5 6260953 3870861.75 1805920.625 687557.8125 PS P-31:1 or PS O-31:2 777973.6875 502640.25 709174.875 766838.6875 473535.2813 169991.2813 194497.9688 194123.7813 229478.0625 285359.5 265511.875 209809.0938 1024661.938 693334.6875 299123.125 830035.9375 466356.0313 155750.5156 94872.875 PS P-32:1 or PS O-32:2 748969.9375 121587.7422 346897.375 276908.8438 303486 66845.53125 51205.80469 56737.35547 75250.73438 118318.7813 188249.8281 52435.79688 565785.375 253367.375 80893.78906 375509 333963.9063 64999.62109 48490.82813 PS P-33:0 or PS O-33:1 199171.2188 238679.1406 468214.875 489254.6563 259823.0938 56803.94922 93997.80469 83568.05469 0 0 0 0 1529572.5 461499.6875 57641.42188 507905.4063 419602.9688 77558.125 59133.34375 PS P-35:0 or PS O-35:1 397239.4375 434124.25 786783.0625 1000543.188 591620.9375 149765.0469 224044.7344 207764.5781 0 0 0 0 2816945 944242.8125 112421.2422 1003669.438 841132.625 182721.4375 108231.3281 PS P-35:1 or PS O-35:2 126251.1406 106487.5469 163361.9063 197126.4844 91346.59375 83388.70313 103979.1875 119376.7188 13513.97461 27636.83984 23466.88672 10975.62695 750428.8125 177888.9375 26104.46094 202486.4219 179681.9063 28485.23828 26748.2168 PS P-36:0 or PS O-36:1 2786881.5 6364679.5 14100000 9986760 7539523 1961140 3149335.25 2647139.25 94121.88281 93033.28906 227963.1563 96570.6875 42500000 11000000 1641129.375 12300000 8857598 4086783 1787324 PS P-36:1 or PS O-36:2 668531.5 364613 521236.5 701360.75 332554.6563 329527.0938 388374.1563 317860.7813 4068955.5 2764181.75 614132.3125 668067.4375 1423568.125 563488.75 133123.4688 692279.625 478420.8438 2380762 131941.5156 PS P-36:2 or PS O-36:3 174568.7031 98749.60938 170471.1719 197878.4063 116563.8125 103135.4609 132625.2656 101584.6953 892230 764775.75 190162.5313 147541.5625 552037.625 187208.8281 32930.46094 199795.2344 156866.25 1692583 49189.74219 PS P-38:1 or PS O-38:2 826566.25 901988.5625 2294730 1388311.375 1337371.75 373183.5 495789.2813 490812.2188 3640151.5 1405327 737705.125 213191.3438 5345726 1876065.5 310767.5 1537480.375 1447840.375 1635880 300674.5938 PS P-39:0 or PS O-39:1 188970.2656 0 253785.7344 203160.2813 196313.5625 184353.7969 178649.4688 144249.7031 0 77243.91406 271337.125 201878.4844 188353.1563 186449.2969 32022.95117 227017.2188 127589.9141 0 0 PS P-40:3 or PS O-40:4 225723.6406 316665.1563 295783.125 687582.625 426051.0625 91051.34375 86648.28906 73719.86719 357320.9375 281634.4375 216295.875 95343.63281 670377 643965.375 219039.1875 632326.25 497414.4688 186198.9063 98104.52344 PS P-42:5 or PS O-42:6 181172.6875 198293.8281 556519.375 1089718.5 535111.3125 70871.69531 74954.95313 52428.21875 68729.19531 69365.89844 74890.28125 16905.45703 1025011.063 751610.5 83322.79688 813444.125 497390.0313 129295.2422 55204.41406 R-Dysidazirine 51057.12109 19838.83398 281002.9375 128694.8672 152782.3281 41831.83594 34545.39063 46431.0625 23790.7793 39405.89063 127944.8281 28954.14453 114654.0391 102898.0391 25318.93359 164631.2031 105472.5313 22707.98047 76904.46875 Retinal 78889.57031 8811.981445 140551.6563 71678.32031 104457.2031 25630.20898 35041.01953 23063.73828 48194.22266 31293.75391 113218.2109 15007.1123 69453.3125 77166.71094 11141.84473 134138.7813 63173.90625 17445.99219 42493.64453 Retinol 3270218.5 357436.1875 4870124.5 4467155.5 5067425.5 879824.25 1072160.5 666437.9375 437395.5 454047.2188 3033485.75 809741.625 3574537.75 3810591.75 636924.5625 6466177.5 3079272.5 876355.5625 1780126.875 Rishitin 127482.3438 30037.04492 192551.8281 200519.1875 224142.1563 47993.72266 45964.01172 41555.77734 42667.3125 21348.0332 73597.92188 28695.08203 182637.5625 170211.4688 48239.21094 236065.3281 113686.2734 45964.04297 80728.14063 SM 18:0;O2/16:0 11700000 3140136.5 7698413.5 9233752 7411468.5 1486998.375 2118133.5 866949.0625 975818.1875 1781153.125 3719006.5 1443703.875 11900000 8155699 2451158 11500000 6915066 6951693 1601673.125 SM 18:1;O2/12:0 184424.0781 1133006.75 2120171 2223674.25 1913241.5 676114.8125 786918.25 556853.5 18061.88281 43024.88672 70541.17969 46508.25 3196808.25 2244077.5 811470.625 2977189 1882552.125 1079265.25 650834.4375 SM 18:1;O2/16:0 150202.625 122382.6641 196447.875 218220.4063 319653.5313 39276.83594 40583.53125 26703.82031 36807.375 127880.0703 142521.0313 41926.30859 253638.1094 256334.7656 96106.97656 413628.375 175350.9531 178298.8281 62600.70703 SM 32:1;O2 13300000 5550822 12100000 19000000 13400000 2671084.75 3808824.5 1623824.875 1532458.125 3445119.5 7926706.5 1804592.875 18100000 18600000 5918023.5 26900000 16400000 8000915.5 2518269.25 SM 32:2;O2 35136.78125 69571.58594 103799.4453 92178.73438 97655.75781 45126.03906 51309.57031 43372.47266 0 25107.93555 38311.27734 27763.33203 83270.84375 95503.10938 73680.51563 166797.8281 80260.55469 101993.9922 46912.84766 SM 33:1;O2 27200000 3872955.25 11800000 22100000 12500000 1423536 2211275.75 875368.75 2518069.75 6692405 15200000 2585582.5 22800000 17300000 4775844 33300000 15200000 6712025 1586282.375 SM 33:2;O2 115057.7969 24623.44141 60459.04688 69006.125 58323.12891 14714.11914 19676.90625 13982.63379 51164.28516 47420.0625 89341.82031 39054.34766 76482.9375 79822.28125 33624.90234 134398.9375 61844.61719 93727.10156 26006.53906 SM 34:1;O2 203000000 84500000 195000000 258000000 216000000 36700000 46400000 22300000 22200000 53000000 94000000 32900000 287000000 243000000 78900000 333000000 193000000 115000000 40800000 SM 34:2;O2 7348009.5 4690102 12200000 11900000 13900000 2296630.5 2809643.75 1672654.75 1799527.25 5752968.5 6834512 2195539.25 12400000 13800000 6826526.5 21100000 10800000 7048046 3713313.75 Sphinganine 227146.125 98559.14844 496386.375 707613.6875 354242.4063 84309.82813 163124.1094 84862.6875 61773.37891 82958.42188 63037.36719 76843.89063 949414.4375 402303.625 187546.25 1005351.75 373409.1563 225807.2031 112150.5703 Spisulosine 0 0 27332.01953 19087.32617 0 7660.533203 0 0 11920.35938 8451.530273 0 0 0 0 0 0 0 0 11119.20801 Stearamide 3465139.75 2257605.5 4036752.75 5077886 2845716.25 2131462.75 4505465.5 1667145.75 2312538 2501759 4110903.5 2959151.75 4506055.5 3820368.5 2433018.25 3124682 2292744.75 5089161.5 1659735.5 Stigmatellin Y 914719.625 597480.125 1689886.125 2251111.25 1672194.5 9617776 8850970 4664416 1174437.125 1679001.5 1700798.375 8858191 1077758.625 957328.25 664032.125 621880.75 886918.625 102137.4844 33490.14453 Stylisterol B 381098.4063 323735.6563 440635.8125 410311.4688 498549.875 380997.7813 312751.9688 327862.625 200521.5781 962805.0625 168541.5156 189358.375 336729.1875 306474.5313 340432.9063 318163.5938 370906.375 416987.0938 214632 Tetrapentylammonium 18455.51953 17402.65234 151276.1875 385237.9688 153438.5 19241.73828 15907.16699 20355.10352 12799.68457 43710.23047 56124.29297 31938.78516 20252.76953 18324.23633 15655.08594 19038.86719 29824.72656 0 0 TG 39:0 132594.1719 47696.85938 531226.8125 314409.9688 110851.9063 49587.44531 45996.69922 68772.51563 106462.6094 60699.48047 109833.3594 142208.6406 444090.7813 123631.7031 20151.16992 160461.9688 158303.7344 72782.50781 197318.2344 TG 4:0/4:0/4:0 650608.875 378546.125 433299.5938 363853.8438 515341.125 6694107.5 5341727 6944615 1118677.5 1228013.125 1547220.5 5615173.5 479656.6875 475860.375 412959.0625 404824.4688 481300.5 167150.5938 293136.3125 Tomatidine 112097.1484 45862.55078 252065.1406 148203.2656 192202.9063 129731.8438 139926.875 86411.82031 66119.95313 44701.28125 273822.25 129912.2656 0 110194.6641 107321.6406 274059.5625 102627.5703 33313.83594 232329.0938 trans-2-Tetradecenoylcarnitine 1944735.625 728248.0625 2628492.5 1216100.25 1024281.313 1316556.875 1602672 2225178.5 1691542.5 2101120 4176914.5 3068292.25 2479829 845640.375 755779.5 1601147.375 1781785.25 485715.1563 1102276.875 Tremetone 25411.98828 47805.75781 33635.89453 26895.90234 34151.49219 55099.47656 67904.70313 54455.48047 42853.61719 49040.60156 47779.32031 61306.26172 33260.22266 69083.0625 41831.80859 29847.00586 23595.77539 33498.37891 40215.72266 Tributyl phosphate 957419.8125 859339.0625 2055112.25 860572.8125 1100671.125 1713651.625 1547666.25 876607.625 1479921.25 1881286.5 839469.6875 1446350.25 1892272 1539858.875 1527365.875 1846613.625 698456.9375 60200.58594 1165667.375 Tricosenoic acid 454780.6563 70602.50781 646150.6875 480318.9375 355945.4063 274422.0625 337164.5625 221774.3281 81454.24219 45695.19141 109002.7031 75347.73438 943297.875 500779.875 62168.58594 671500.1875 328824.1563 72009.8125 185947.0469 Tridecadienoic acid 347311.7813 130594.6875 387085.375 216309.2969 332765.4688 205255.125 151912.7969 310949.5313 217393.0156 305907.0313 240099.2344 137587 393760.9063 370256.125 259045.8125 305093.0625 360050.75 508459.6875 313782.1875 Tridecenoic acid 206833.8281 55585.96484 255161.5781 145100.3125 206676.5938 73319.4375 101206.5547 75095.55469 89026.70313 76052.10938 257322.75 96438.24219 179058.3438 165268.5156 59947.32813 210036 146936.2344 59721.26172 96137.30469 Tridemorph 76061.92969 51439.14063 1124976 1761779.875 876503.6875 82091.90625 92693.00781 70365.49219 93006.83594 95522.97656 120706.8594 80468.50781 80930.40625 70166.6875 50514.01953 69274.15625 67445.77344 130537.3906 31917.06445 Triphenyl phosphate 51165.21875 42998.94531 46698.60938 43954.31641 45828.81641 36290.83203 54013.49609 28809.66406 47332.53125 46995.90625 44151.18359 23802.39844 32734.01953 30028.83203 37943.27344 44266.26563 45437.74609 88659.1875 43250.50391 Tuberculostearic acid 1052015.25 946392.5625 786369.75 1034010.188 997864.3125 943921.125 1280416.375 984597.6875 576605.3125 847553 777992.9375 933746.0625 1036051.25 1525090.5 524874.0625 1352128.625 860207.625 758419.625 1040355.813 Undecanoylcholine 184850.5938 144269.4688 165601.4531 224215.9375 204446.9219 245604.0781 263044.0938 250145.1719 428627.3438 495457.7188 377925.3125 243838.0469 195004.4844 187396.7969 135307.8438 122794.4922 165048.5625 394653.6875 155858.4844 Uvaricin 0 0 0 0 0 0 0 0 11100000 10600000 4214460.5 0 21459.88086 15015.85547 0 0 0 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID Androstane-3_17-diol dipropionate 12.8820211 405.3004066 134572 C14624 di-n-Undecylamine 11.87435602 326.378128 0 TG(20:5/22:6/20:5)(D5) 22.67901605 1010.798812 0 1-O-Octadec-9-enyl glycerol 12.35632069 343.3203553 5282282 C13860 4a-carboxy-5a-cholesta-8-en-3ß-ol 13.73679261 431.35265 0 Antibiotic TA 10.67839947 624.4479458 9960754 C15756 5-(Heptadec-12-enyl)resorcinol 13.86809962 381.3476228 5281859 C10802 4a-carboxy-4ß-methyl-5a-cholesta-8-en-3ß-ol 13.8535104 445.3681319 0 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11_20-dione 14.09949534 386.3056041 248263 C15013 9-Hexadecenoylcholine 14.16826807 340.3213058 0 7_10_13_16-Docosatetraenoylethanolamine 14.46427722 376.3216044 5282273 C13829 2-Hydroxylauroylcarnitine 10.36908101 360.2745506 0 4a-hydroxymethyl-4ß-methyl-5a-cholesta-8_24-dien-3ß-ol 15.20439955 429.3727728 0 octyl 2-acetamido-2-deoxy-a-D-glucopyranoside 8.05913902 334.2227455 0 3-Hydroxy-5_ 8-tetradecadiencarnitine 10.4535189 384.2747403 0 TG(14:0/16:1/14:0)(D5) 22.7207482 771.7213918 0 5_6_7_8-Tetrahydro-2-naphthol 9.891596932 149.0959993 14305 C14309 5beta-Estrane-3alpha_17beta-diol 21.85932963 279.2318792 255697 C15201 3-Hydroxy-palmitic acid methyl ester 4.921061102 321.3112337 103553 C11849 CTAB 8.902241355 284.3311554 5974 C11275 2-heneicosanone 11.67444161 311.3307728 529805 0 sn-1_2-Di(2-propylpentanoyl)glycerol 10.91614579 379.3162727 0 docosanal 10.15848858 359.3994043 3017068 0 1_2-dioctanoyl-1_2_6-hexanetriol 9.662304438 421.3637258 0 (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1_2_3_4-tetrahydro-1- naphthol 4.505000728 294.2061444 162349 C04875 4-Hexyloxyphenol 12.38357892 195.1379457 29354 C14305 17-Propyl-5alpha-androst-2-en-17beta-ol 12.30087034 351.336158 247835 C14933 Himbacine 10.46482072 346.2741371 5281825 C10598 Precocene 2 5.070795605 221.1172789 12565 C09018 ubiquinol-1 5.082450347 253.1435115 0 4a-formyl-4ß-methyl-5a-cholesta-8-en-3ß-ol 14.50301667 429.37289 0 4_4-dimethyl-14a-hydroxymethyl-5a-cholesta-8-en-3ß-ol 14.17146505 479.4570884 0 4-Heptyloxybenzoic acid 6.995654563 237.1484119 85154 C14274 Deoxygomisin A 2.987822082 435.2489323 158103 C10555 9_12-Hexadecadienoylcarnitine 8.944743732 396.3109888 0 2_3-Dihydroxycyclopentaneundecanoic acid 6.86804483 321.2747161 243756 C14987 3-Methoxy-5_10-seco-5_19-cycloandrosta-1(10)_2_4-trien-17-one 3.443463765 299.2005211 11954105 C15114 TG(20:2/18:3/20:2)(D5) 23.29230373 972.874932 0 alpha-Curcumene 12.36405036 203.179434 442360 C09649 1_2-dioctanoyl-3-methyl-1_2_3-butanetriol 6.306839283 407.3479352 0 beta-Tocotrienol 13.38595079 445.3789115 5282348 C14154 Oleic acid methyl ester 10.48286813 297.2788015 5280590 C03425 5alpha_17alpha-Pregn-2-en-20-yn-17-ol acetate 8.979064715 341.2473593 159358 C15186 Methyl acetyl ricinoleate 9.03481746 355.2841743 5282107 C12280 DG(1_3-19:0)(D5) 21.95975923 692.6933679 0 trans-Hexadec-2-enoylcarnitine 9.533289998 398.3266706 53477817 0 myristic amide 7.543148125 228.2321826 69492 0 DG(1_3-20:2)(D5) 21.35294435 712.6616821 0 DG(1_3-20:4)(D5) 20.37322083 704.5989228 0 Cinegalline 2.570398325 431.217393 139031208 C10762 Falcarindiol 12.29993639 261.1848552 5281148 C08449 Zwittergent 3-14 13.28744447 398.340924 84705 C11216 3_ 5-Tetradecadiencarnitine 8.195036327 368.2797135 0 Thymyl acetate 12.39988851 193.1223304 68252 C09909 Latia luciferin 5.207113353 237.1849856 5280505 C02293 (9S_10S)-9_10-Dihydroxyoctadecanoate 8.310503303 351.3216543 12235230 C15988 Khellol glucoside 3.254844595 443.1659417 441966 C09011 4a-formyl-5a-cholesta-8-en-3ß-ol 13.76593485 415.3577562 0 anhydroretinol 9.46236019 269.2265572 5287678 0 3-Hydroxy-11Z-octadecenoylcarnitine 6.193880302 442.352032 0 Barringtogenol C 10.45334963 491.3719538 185465 C08931 Geranylgeraniol 10.18696746 325.3214717 5281365 C09094 Sphinganine(d17:0)Ê 6.16619075 288.2895508 0 Hexadecenal 9.312051505 239.2370107 C06123 Isococculidine 5.295990397 286.1802652 442300 C09546 3-Hydroxyhexdecanedioyl-CoA 23.5296111 1086.377292 0 N-(2-hydroxytridecanoyl)-4_8-sphingadienine 11.60089059 510.4521019 25246145 0 Hentriacontane-14_16-dione 14.88887418 499.5197959 441489 C08377 Myxalamid S 9.026989085 420.3108966 11953999 C12157 22alpha-Hydroxy-campest-4-en-3-one 10.73089824 415.3569669 23724588 C15796 Capsidiol 12.38211082 237.1849004 161937 C09627 Aristolochene 12.39071484 205.1950022 656496 C02004 Veatchine 9.75210914 344.2587718 440912 C06092 3-Dehydro-2-deoxyecdysone 5.327637737 447.3104217 15251159 C16497 1-4-beta-D-Glucan 19.05243973 537.1661282 53477911 C00760 Cholesta-5_7-dien-3beta-ol 14.17441185 385.3467725 439423 C01164 Ergosta-5_7_22_24(28)-tetraen-3beta-ol 14.37139491 395.3310263 23724485 C05440 4-8dimethylnonanoylcarnitine 5.746644072 330.2636343 53477801 0 3-Keto-4-methylzymosterol 15.10453423 397.3463183 23724597 C15816 3 beta_7 alpha-Dihydroxy-5-cholestenoate 14.3916841 433.3315038 3081084 C17335 Arachidonoyl Serotonin 15.75790458 463.3318826 10027372 0 FA hydroxy(19:0)] nonadecanoic acid 10.60310264 315.2892554 5282916 0 N-(11Z_14Z-eicosadienoyl)-ethanolamine 14.62321927 352.3210436 5283444 0 15-HETE-DA 12.20405764 456.3108105 53477517 0 3_7_11_15-Tetramethyl-6_10_14-hexadecatrien-1-ol 11.08244077 327.3368698 5365870 0 6Z_9Z-Heneicosadien-11R-ol 12.42357637 343.3686242 56935898 0 6Z_9Z-Nonadecadien-3-one 10.46474743 313.321557 13671273 0 12-[3]-ladderane-dodecanoic acid 15.60911507 395.3632348 42607295 0 6Z_9Z-Eicosadien-11-ol 12.22242038 329.3519732 56935897 0 14Z-Tricosene-10-one 14.67209181 371.3996519 15730840 0 2_6_8_12-Tetramethyl-2_4-tridecadien-1-ol 9.402700357 287.3054721 44256517 0 7Z-Octadecene 8.834070587 287.3419586 5352242 0 3_7_11_15_19-Pentamethyleicosa-2E_6E_10E_14E_18-pentaen-1-ol 13.34576616 393.3838229 6439529 0 [FA hydroxy(15:0)] 3_12-dihydroxy-pentadecanoic acid 4.6541597 275.2218481 5312756 0 [FA hydroxy(18:1/2:0)] 8-hydroxy-13Z-octadecene-9_11-diynoic acid 8.714409822 291.1952944 5312839 0 FA hydroxy(18:1) 5.84810184 295.2266487 5312856 0 [FA hydroxy(3:2/20:4)] N-(3-hydroxy-propyl)-5Z_8Z_11Z_14Z-eicosatetraenoyl amine 13.07414045 362.3054979 5283403 0 [FA (18:3)] octadecatrienal 15.73932403 263.2369264 5283384 0 26:6(8Z_11Z_14Z_17Z_20Z_23Z) 15.43693258 419.3631346 52921813 0 7Z-Tricosen-11-one 14.0993844 371.3997603 14680474 0 Tricosene 12.04124598 357.420327 13909773 0 1-eicosanoyl-(1-cyano-2-methylprop-2-en-1-ol) 15.57668444 392.3520777 24778484 0 FA oxo(19:0) 7.560501448 313.2735808 5312916 0 FA oxo(10:0) 10.41290141 187.1329475 5282982 0 FA methyl(18:2) 7.737783 309.2421552 5283019 0 2S_3R-Didecanoyl-docosane-2_3-diol 12.09908008 651.6268577 5388883 C13822 [FA hydroxy_methoxy(18:0)] 12_13-dihydroxy-11-methoxy-9-octadecenoic acid 11.25151175 379.316663 5283026 0 [FA (24:0)] tetracosanal 13.76442234 387.4309389 557529 0 3_7_11-Trimethyl-6E_10-dodecadien-1-ol 8.262582555 259.2743366 5280341 0 [FA (18:2)] 9Z_11E-octadecadienoic acid 15.73104112 281.2474943 5280644 C04056 8Z-Heptadecene 7.402533333 273.3263358 5352243 0 6Z_9Z-Heneicosadien-11S-ol 13.42176265 343.3685587 56935899 0 [FA trimethyl(13:0)] 4_8_12-trimethyl-tridecanoic acid 16.43587947 257.2474327 151503 0 FA oxo(15:0) 6.105433327 257.2110651 5282993 0 [FA (25:0)] tricosane-1_2-diol 14.57583022 391.4258592 42607324 0 [FA hydroxy(18:1)] 9_10-dihydroxy-12Z-octadecenoic acid 10.28382627 315.253152 9966640 C14828 [FA oxo(15:0)] 11-oxo-pentadecanoic acid 15.0683707 257.210903 5282994 0 12-OPDA 7.000683322 327.2640148 5280411 C01226 [FA methyl(18:0)] 9_10-methylene-9-octadecenoic acid 9.632008577 295.2633763 12921 C08366 [FA oxo(15:0)] 4-oxo-pentadecanoic acid 14.59630444 257.2110078 5282993 0 1-(O-alpha-D-glucopyranosyl)-(3R_29S_31R)-dotriacontanetriol 14.45107046 677.557696 42607351 0 24:3(15Z_18Z_21Z) 13.04238378 397.3787995 52921854 0 [FA hydroxy(21:0)] 14-hydroxy-heneicosanoic acid 10.83745045 343.3211932 5312777 0 N-propyl-16_16-dimethyl-5Z_8Z_11Z_14Z-docosatetraenoyl amine 15.52428847 402.3726498 5283428 0 FA methyl(16:1) 8.234877377 269.2474828 5312300 0 10Z-Tricosene 10.2642537 357.4204887 13909773 0 3_5_7-Trimethyl-2E_4E_6E_8E-decatetraene 12.36127586 177.1637909 14656044 0 [FA hydroxy(23:0)] 2-hydroxy-tricosanoic acid 13.22196635 371.3522531 152915 0 [FA (13:2)] 3E_5E-tridecadienoic acid 10.85977437 245.2224319 5312396 0 FA hydroxy(20:1) 8.140840737 361.3424281 5282951 0 FA methyl (8:1) 12.39344256 157.122365 5282652 0 [FA methyl(21:0/2:0)] 15-methylheneicosane-1_2-diol 13.90497629 377.4103346 42607323 0 Pentacosene 11.78225143 385.4517618 56936072 0 FA hydroxy(12:1) 8.653855497 179.0702371 9543619 0 [FA methyl(18:2)] methyl 12_13-epoxy-9_15-octadecadienoate 9.95848782 309.2421875 5283020 0 FA oxo(20:2) 11.74798964 323.2573117 5283013 0 6-[5]-ladderane-1-hexanol 7.970885542 261.2213058 11777410 0 FA (14:1) nonanol 7.688628507 211.2055773 5283290 0 9_12_15-Octadecatrien-1-ol 13.40080524 265.2526747 5367327 0 FA (14:1)nonanoic acid 12.39109956 225.1849412 5282854 0 Heneicosadienone 11.87371926 341.3529659 56936227 0 [FA hydroxy_ethyl(20:4/20:4)] N-(1_1-dimethy-2-hydroxy-ethyl)-5Z_8Z_11Z_14Z-eicosatetraenoyl amine 13.06063722 376.3218359 5283404 0 [FA hydroxy(20:4)] eicosatetraenoyl amine 9.697912982 320.2582838 5283414 0 N-(3-(15-methyl-hexadecanoyloxy)-13-methyl-tetradecanoyl)-L-serine 15.53633914 626.5358209 118701009 0 N-morpholine-5Z_8Z_11Z_14Z-eicosatetraenoyl amine 12.19934283 374.305539 5283433 0 [FA methyl(18:2)] methyl 9_10-epoxy-12_15-octadecadienoate 7.228226623 343.2953884 5283019 0 4_8-Dimethyl-1_3E_7-nonatriene 12.40439489 151.1481544 6427110 0 FA hydroxy(20:3) 10.31474517 323.2573257 5283145 0 Mycolipanolic acid (C27) 15.64464726 461.4677291 52921765 0 [FA (16:2)] N-hexadecyl-ethanolamine 11.28859929 300.2899006 4671 C16512 FA methyl(17:3) 5.71876666 279.2318235 5312305 0 Octadecadienal 9.792240375 265.2526752 5367327 0 [FA oxo(22:0)] 10-oxo-docosanoic acid 9.88120775 389.3742813 5312927 0 [FA hydroxy(20:0)] 11_12-dihydroxy-eicosanoic acid 10.06918303 345.3000875 5282932 0 FA trihydroxy(18:1) 9.640089292 365.3019832 5282962 0 N-(8Z_11Z_14Z-eicosatrienoyl)-ethanolamine 12.31276299 350.3052667 5282272 C13828 3_7-Dimethyl-2E_6E-decadien-1_10-dioic acid 6.95918836 227.1277121 14216440 0 [FA (18:4)] 6Z_9Z_12Z_15Z-octadecatetraenoic acid 5.447509653 277.2162255 5312508 C16300 8E-Heneicosene 8.701100418 329.3889957 22171964 0 N_N-dimethyl-9S_11R_15S-trihydroxy-5Z_13E-prostadien-1-amide 8.173999637 382.2952315 5283075 0 1-dimethylamino-9S_11R_15S-trihydroxy-5Z_13E-prostadiene 9.615665193 368.3162373 5283101 0 N-(9Z_12Z-octadecadienoyl)-ethanolamine 11.1798955 324.2896424 5283446 0 [FA (18:2)] 3Z_13Z-octadecadien-1-ol 10.86231484 267.268284 5283296 0 [FA (18:3)] 9_12_15-octadecatrienal 6.133308512 263.2368551 5283384 0 [FA hydroxy(18:0)] 9_10-dihydroxy-octadecanoic acid 7.947048137 351.3216023 0 FA oxo(21:0) 11.34372154 375.3581048 5312923 0 FA oxo(14:1) cyclopentanebutanoic acid 6.235223717 239.1639166 5716900 0 FA amino(18:0) 8.7135967 300.2897279 5312961 0 FA oxo(17:0) 5.530597793 319.2955081 5283004 0 [FA methyl(16:1)] 14-methyl-8-hexadecen-1-ol 5.97816335 289.3212435 5283286 0 6Z-Heneicosen-11-ol 6.199517105 345.3837159 13883615 0 [FA hydroxy(20:0)] dihydroxy-eicosanoic acid 9.283494828 379.3529558 5282932 0 [FA hydroxy(17:2)] 7-hydroxy-10E_16-heptadecadien-8-ynoic acid 5.285767777 313.2485785 5312811 0 [FA (15:0)] 14-methy-pentadecanoic acid 15.06601407 257.247583 36247 0 Methyl-hexadecenal 5.036885975 287.3056877 6073809 0 N-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-ethanolamine 12.18089615 372.2902093 5283451 0 [GL (18:0)] 1-octadecanoyl-rac-glycerol 9.498474822 393.3686325 24699 0 Noladin Ether 14.03038217 365.3050584 6483057 0 1-Dodecanoyl-sn-glycerol 5.937255938 275.2216725 656773 C13854 TG(10:0/10:0/10:0)[iso] 12.70519742 589.5151635 69310 0 DG(18:0e/2:0/0:0) 12.45882001 421.4000512 13341683 C03820 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 15.36962499 603.5339742 24778510 0 MG(0:0/20:2(11Z_14Z)/0:0) 11.8361315 383.3158455 53480964 0 MG(0:0/22:4(7Z_10Z_13Z_16Z)/0:0) 8.168848943 407.3156736 53480969 0 MG(P-18:0e/0:0/0:0) 5.771744995 377.373548 11824075 0 MG(0:0/22:2(13Z_16Z)/0:0) 11.34924011 411.3458663 53480968 0 PC(16:0/9:0(CHO)) 7.902850018 650.4393826 46907874 0 [PS(10:0)] 1_2-didecanoyl-sn-glycero-3-phosphoserine 5.118273735 568.3246096 52926188 0 [PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol) 6.184295858 599.3188979 0 [PC(11:1/11:1)] 1-(10E-undecenoyl)-2-(10E-undecenoyl)-sn-glycero-3-phosphocholine 8.052959282 590.3820051 53480940 0 PS(O-16:0/22:2(13Z_16Z)) 15.63208123 802.5946957 52925129 0 [PC(18:3)] 5.958626263 518.3242254 52926184 0 [CPA(16:0)] 1-hexadecanoyl-sn-glycero-2_3-cyclic-phosphate 8.909199168 393.24038 52924053 0 [PC(22:6)] 1-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 6.837201258 568.3396145 24779465 C04230 PS(O-18:0/20:5(5Z_8Z_11Z_14Z_17Z)) 11.40574239 796.5484648 11005824 0 1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine 12.11288124 727.58561 44575057 0 3_5-Di-O-methyl-8-prenylafzelechin-4beta-ol 2.537914457 421.2331257 44575059 0 Rubraflavone D 7.554687932 523.2804895 52928835 0 20:2(5Z_9Z)(11Me_15Me_19Me) 11.61288886 351.3254142 52929597 0 [PR] Tretinoin/All-Trans Retinoic Acid 3.997915158 301.2161821 52924957 C00777 [PR] 13-cis-retinol 8.996331372 287.2368219 44257167 0 3-O-Sulfogalactosylceramide(d18 14.83284912 808.5626488 52929812 C06125 [SP amino_dimethyl(18:0)] 2-amino-14_16-dimethyloctadecan-3-ol 10.04176425 314.3417307 440905 0 [SP hydroxy_hydroxy_methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-ol 5.45492704 288.2535331 122121 0 [SP dimethyl_amino(18:0/2:0)] 2S-dimethylaminooctadecane-1_3R-diol 16.4327315 330.3366034 42608370 0 [SP methyl(16:0)] 15-methyl-hexadecasphing-4E-enine 11.71377066 286.2743344 14757418 0 [SP methyl(2:0)] 9-methyl-sphinga-4E_8E-dienine 12.33827187 312.2895731 10566693 0 [SP amino(18:0/2:0)] 2S-aminooctadecane-1_3R-diol 9.764957388 302.3051266 6321364 0 Dihydroceramide 9.503371932 330.300595 42608345 C12126 [SP hydroxy_methyl_hydroxy_methyl(16:2)] azetidinol 6.10144816 330.3001158 16755624 0 [SP (3:0)] sphinga-4E_8E_10E-trienine 9.584400387 296.2584905 52931113 0 [ST (3:0)] cholest-5Z_7Z_24-trien-3beta-ol 13.60984994 383.3312071 9939941 C05107 Minabeolide-2 12.00672837 467.2792453 42608349 0 [ST (2:0)] 5beta-Cholane-3alpha_24-diol 16.47485943 397.3786958 5283557 0 [ST (2:0)] androstan-3beta_17beta-diol 7.972091472 293.247403 440558 C12525 stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside 11.388827 611.4997457 52931500 0 [ST (2:0)] 24-Nor-5beta-chol-22-ene-3alpha_6alpha-diol 15.93784116 381.3474112 5284063 0 [ST hydroxy(3:2/3:0/3:0)] (5Z_7E)-(1R_2R_3R)-3-(hydroxy-propyl)-19-nor-9_10-seco-5_7-cholestadien-1_3_25-triol 10.45056031 463.378675 219833 0 [ST hydrox] 3beta-hydroxypregn-5-ene-20-one 11.50832081 317.2474765 5879 C01953 (25S)-5alpha-cholestan-3beta_6alpha_7beta_8beta_15alpha_16beta_26-heptol 6.184248545 519.4004893 242332 0 [ST hydroxy_methyl_ethyl(2:0)] (5Z_7E)-(1S_3R)-18-[m-(1-hydroxy-1-methylethyl)-benzyloxy]-23_24-dinor-9_10-seco-5_7_10(19)-cholatriene-1_3-diol 14.43272616 495.3462626 9963157 0 [ST dimethyl_methy] 4alpha_14alpha-dimethyl-24-methylene-cholest-8-en-3beta-ol 12.55421331 477.4417182 C01943 sarmentogenin 14.095381 389.2688617 8955 0 5beta-Pregnane-3_20-dione 8.601899305 317.2476121 52931337 C05479 12beta-hydroxy-24-norcholesta-1_4_22E-trien-3-one 14.23770337 417.3478221 24779628 0 [ST] (5Z_7E)-9_10-seco-5_7_10(19)-cholestatriene 14.09010119 369.351695 65252 0 Xeniasterol-b 8.049351117 491.374151 16048638 0 [ST hydroxy_methyl_ethyl(2:0)] (5Z_7E)-(1S_3R)-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23_24-dinor-9_10-seco-5_7_10(19)-cholatriene-1_3-diol 11.3025682 499.3897823 52931379 0 Jurubine 10.02482136 596.4160424 92745 0 all-trans-13_14-Dihydroretinol 13.22645043 289.2525666 52931328 C15492 7_8-Dihydromethanopterin 20.62154988 775.2540498 21636156 C05927 N-(2-hydroxydocosanoyl)-sphinganine 20.97942962 640.6230592 9547583 0 N-(2-hydroxy-13Z-docosenoyl)-tetradecasphing-4-enine 19.87630902 580.5297693 52931419 0 N-(2-hydroxyeicosanoyl)-sphinganine 20.28441853 612.5918802 445354 0 N-(9Z-octadecenoyl)-4E_6E-tetradecasphingadienine 14.46807666 506.4572974 638015 0 N-(2-hydroxy-hexacosanoyl)-tetradecasphing-4-enine 20.70915143 638.6078154 135398722 0 N-(2-hydroxy-docosanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine 14.66131083 719.5703113 0 N-(2-hydroxy-docosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine 13.99522873 705.5546145 0 N-(eicosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine 13.25249789 661.5283518 0 N-(15Z-tetracosenoyl)-tetradecasphing-4-enine-1-phosphoethanolamine 15.36539709 715.5733566 0 N-(nonadecanoyl)-4E_6E-tetradecasphingadienine-1-phosphoethanolamine 11.70543936 645.4969066 0 N-(2-hydroxy-eicosanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine 13.33097751 691.538985 0 3-O-(6'-O-(13Z_16Z_19Z-docosatrienoyl)-beta-D-glucopyranosyl)-stigmast-5-en-3beta-ol 21.96159805 927.7782098 0 3-O-(beta-D-glucopyranosyl)-campest-5-en-3beta-ol 10.95618518 597.4834013 0 3-O-(6'-O-docosanoyl-beta-D-glucopyranosyl)-stigmast-5-en-3beta-ol 22.30331013 933.8235837 0 3-O-(6'-O-docosanoyl-beta-D-glucopyranosyl)-stigmast-5_22E-dien-3beta-ol 22.37881242 897.7540003 0 3-O-(6'-O-docosanoyl-beta-D-glucopyranosyl)-cholest-5-en-3beta-ol 22.15333727 905.7928207 0 3-O-(6'-O-(13Z_16Z_19Z-docosatrienoyl)-beta-D-glucopyranosyl)-stigmast-5_22E-dien-3beta-ol 21.8773331 891.7071248 0 3-O-(6'-O-(13Z_16Z-docosadienoyl)-beta-D-glucopyranosyl)-stigmast-5-en-3beta-ol 22.2628213 895.7385694 0 3-O-(6'-O-(13Z-docosenoyl)-beta-D-glucopyranosyl)-cholest-5-en-3beta-ol 22.2528157 869.722862 0 3-O-(6'-O-(11Z-eicosenoyl)-beta-D-glucopyranosyl)-cholest-5-en-3beta-ol 22.06776858 841.6914921 0 3-O-(6'-O-(13Z_16Z_19Z-docosatrienoyl)-beta-D-glucopyranosyl)-cholest-5-en-3beta-ol 21.85315047 865.6922641 0 3-O-(6'-O-(7Z-hexadecenoyl)-beta-D-glucopyranosyl)-cholest-5-en-3beta-ol 13.56849219 785.6271642 0 11-cis-Retinol 15.58874923 287.236884 52924956 C00899 14'-apo-beta-Carotenal 12.26852204 311.2368852 5280992 C06734 17alpha-Hydroxypregnenolone 8.178844458 333.2422327 9547684 C05138 2-Hydroxynonadecanoic acid 6.567604088 349.3423409 5282916 0 2-Methoxyhexadecanoic acid 8.249884813 287.2580451 656825 C13947 3alpha-Hydroxy-5beta-pregnane-20-one 12.36334968 353.3161168 52931131 C05480 3-Dehydroteasterone 15.37588478 447.3469088 23724584 C15792 3-Ketosphingosine 10.42867708 298.2741374 9839212 C06121 3-tert-Butyl-5-methylcatechol 12.40455374 181.1222907 66095 C03929 4-Dodecylphenol 12.31519039 263.237041 66030 C14245 5-O-Methylembelin 4.26540034 309.2060348 171489 C10373 6-[3]-Ladderane-1-hexanol 8.910034112 263.2369468 10244470 0 alpha-Linolenoyl-EA 10.50957673 322.274107 0 alpha-Linoleoylcholine 14.96675458 366.3368939 0 alpha-Tocopherol 11.40469225 431.3893114 14985 C02477 alpha-Tocotrienol 14.0150539 459.3949414 5282347 C14153 Anacardic acid 9.87429361 383.3273078 167551 C10759 Androsterone 7.919281445 291.231671 52931135 C00523 Apoatropine 5.299505398 272.1644898 64695 C10843 Arachidonoyl-EA 11.05368416 348.2895092 5281969 C11695 Auricularine 14.02786456 495.3477423 441990 C09043 Bakkenolide A 12.39748519 235.1694003 442173 C09350 Behenoylglycine 11.26847071 398.3628797 0 beta-Estradiol 12.22720739 273.1850526 440700 C00951 bis(2-Ethylhexyl)phthalic acid 12.36010082 391.2841386 8343 C03690 Buddledin A 8.186595922 277.1798321 5281514 C09623 Burseran 3.828537903 421.2333619 442832 C10547 C17 Sphingosine 5.192229253 286.2741426 52931147 0 Calcimycin 7.162000528 524.2751609 40486 C11309 CAR 12:0 7.988129953 344.2796733 168381 0 CAR 14:0 8.931267745 372.3107712 53477791 0 CAR 14:1 7.276998178 370.2950972 22833575 0 CAR 16:0 6.815940337 400.3421364 11953816 C02990 CAR 16:0;OH 10.4975418 416.3369729 0 CAR 16:1 5.836877012 398.3265279 0 CAR 16:1;OH 6.618833738 414.32151 0 CAR 17:0 8.894811882 414.3575632 53477803 0 CAR 18:0 8.341113688 428.3737088 6426855 0 CAR 18:1 7.42269998 426.3576547 0 CAR 18:2 10.25695728 424.3422209 6450015 0 CAR 20:0 9.889552273 456.4050388 53477833 0 Centarol 12.44547519 239.2005582 442349 C09632 Cer 31:0;O2 14.07312031 498.4883246 10913955 0 Cer 33:0;O2 15.83241117 526.5194027 52931137 0 Cerotic acid 13.14460775 431.4570757 10469 0 cis-Vaccenic acid 7.546856272 283.2631489 5282761 C08367 Coniferyl alcohol 7.01522398 181.085809 1549095 C00590 Convallagenin A 3.842292405 449.3259515 441880 C08890 Cyclopamine 15.07483721 412.3212211 442972 C10798 Decanamide 3.853287788 172.1696194 75347 0 Dehydrophytosphingosine 6.191218137 316.2850406 9904001 0 DG 18:0/24:1(15Z)/0:0* 12.54412096 741.7086305 53478056 0 DG 24:0 14.60833794 457.3886293 151838 0 DG 34:3 15.93168066 591.4986691 0 DG 36:2 9.777754212 655.598672 9543716 C00165 DG 37:5 14.08881403 663.5674603 53478020 0 DG 39:8 14.07619949 651.4985252 9543871 0 DG 40:0 12.01758994 681.6372515 9543782 C00165 DG 42:9 9.386562882 691.5298083 9543939 0 DG O-34:0 9.003904152 617.6188845 18603089 0 D-Glucosyldihydrosphingosine 9.746312957 464.3584669 440147 C03858 Diethylhexyl adipate 12.64217821 371.3159759 7641 C14240 Dimethisterone 11.46920832 375.3008889 6607 C07628 Docosanamide 13.99648259 340.3573845 76468 0 Dodecadienoic acid 12.43378267 197.1536713 5312382 0 Dodecanamide 5.644874482 200.2008705 14256 C13831 Dodecenoic acid 6.865559228 199.1691077 5282729 0 Erucicoyl-EA 13.33762617 382.3680758 6436482 0 Fucoxanthin 8.419894943 693.482212 C08596 GlcCer 14:1;O2(4E)/20:0;O 15.73721667 716.5681 446798 0 GlcCer 15:1;O2/22:0 20.58422965 742.6194062 0 GlcCer 18:0;O2/18:0 9.838309898 730.6196758 9925886 0 Heneicosenoic acid 14.88529708 311.2945122 5282767 0 Heterodendrin 1.175183379 262.1284029 181804 C08332 Hexadecatrienoic acid 4.688542203 251.2005529 5282809 0 Iridotrial 7.47322325 183.1015746 44258297 C06070 Lacinilene C 7-methyl ether 12.37290708 261.1485789 108125 C09695 Leupeptin 8.760039533 427.3025574 439527 C01591 Lignoceric acid 11.51611043 403.4259398 11197 C08320 Linoleamide 8.814564402 280.2634949 6435901 0 LPC 12:0 3.906088893 440.2771145 52926207 0 LPC 14:0 5.506225802 468.3084839 24779481 C04230 LPC 16:0 7.062460033 496.3398274 24779082 C04230 LPC 16:1(9Z)* 6.1246529 494.324039 53479327 C04230 LPC 17:0 7.847717922 510.3558733 52926105 C04230 LPC 18:0 8.608053747 524.3713649 52924051 C04230 LPC 18:1 7.629896297 522.3556471 52924055 0 LPC 20:0 10.15408333 552.4027073 52926213 C04230 LPC 20:1 9.044362082 550.3867291 9801940 C04230 LPC 20:2 8.160044555 548.3715375 24779463 C04230 LPC 20:3 7.409508718 546.3554596 C04230 LPC 20:4 6.833081055 544.3396523 10415542 C04230 LPC 22:0 11.61841789 580.434152 C04230 LPC 22:5 7.442415848 570.355776 52925474 C04230 LPC 24:0 13.23018794 608.4654409 24779416 C04230 LPC 24:1(15Z)* 11.77008204 606.4498429 21672239 C04230 LPC P-16:0 or LPC O-16:1 7.909537578 480.3445347 0 LPC P-18:1 or LPC O-18:2 9.341905925 510.3919068 24779398 C04317 LPE 15:0 6.082413725 440.2768831 86289653 0 LPE 16:1 6.043866297 452.2768524 24779504 0 LPE 18:0 6.272535413 482.3242498 52926233 0 LPE 20:2 6.019500797 506.3244538 24779461 0 LPE 22:0 9.384589972 538.3868226 52925144 0 LPE 22:1 8.392966232 536.3718569 0 LPE 22:4 8.30326435 530.3233945 52924057 0 LPE 24:0 10.92205637 566.4178981 53480946 0 Magnoshinin 2.767465908 449.2645004 442896 C10658 Margaroyl-EA 13.47969889 314.3052718 14455158 0 Margaroylglycine 5.692400003 328.2845098 0 Melibiose 12.31666891 201.1637918 0 MG 0:0/16:0/0:0 9.264257043 365.3371585 123409 0 MG 0:0/16:1(9Z)/0:0* 8.330318547 363.3216455 53480960 0 MG 0:0/22:0/0:0* 14.1837115 449.4314579 121658 0 MG 14:0 7.618145933 303.2529146 137938 0 MG 16:1(9Z)/0:0/0:0* 4.318041528 363.3216169 53480976 0 MG 18:0/0:0/0:0* 10.81762218 393.3685241 15560610 0 MG 20:4 9.08253332 379.2839707 5282280 C13856 MG 22:0/0:0/0:0* 10.93489332 449.4318578 53480989 0 MG O-16:0 10.2422189 351.3582018 72733 C13859 MG O-18:0 11.78568941 379.3894775 3681 C13858 Militarinone A 2.579152922 460.2692806 C12333 ML 236C 5.059751835 291.1954209 173650 C14043 Nebrosteroid M 11.5559162 447.384463 5757 0 N-Oleoyl glycine 7.662023338 340.2844265 6436908 0 N-Oleoyl threonine 7.967702975 384.3109551 52922063 0 Nonadecylic acid 14.93481106 333.3476596 12591 C16535 N-Palmitoyl threonine 8.022293255 358.2952778 14239842 0 N-Stearoyl glycine 8.062438162 342.3001597 95070 0 N-Undecanoylglycine 10.91666705 244.1907584 0 Oblongolide 12.41609226 221.1536453 176630 C09519 Octadecatrienoic acid 6.153245172 279.2317834 5282815 0 Oleamide 9.628473715 282.279038 5283387 0 Oleoyl-EA 12.28826961 326.3052239 5283454 0 PA 17:0/0:0* 8.983517965 425.265893 53480473 0 PA 22:0/0:0* 14.90238616 495.3453897 90658453 0 PA 39:0 10.91297371 747.5920584 24779539 0 PA 40:3 9.565423583 755.560324 0 PA P-37:0 or PA O-37:1 10.35371191 703.5647482 24778527 0 Palmitamide 8.975302532 256.2634649 69421 0 Palmitoleamide 8.000671873 254.2478558 56936054 0 PC 18:1 8.28704169 508.3767104 0 PC 18:2 6.697514445 520.3396713 5283515 0 PC 22:1 10.44525419 578.418272 24779476 0 PC 24:0 11.27784705 622.4442984 0 PC 26:0 14.21218333 650.4761152 460602 0 PC 28:0 14.06579325 678.507186 52926105 0 PC 30:0 15.47183037 706.5382523 24778639 0 PC 30:1 14.64026164 704.5229872 24778634 0 PC 30:2 13.84613243 702.5076454 52926097 0 PC 30:3 14.18507796 700.4894018 52925997 0 PC 32:2 15.23588532 730.538497 24778764 0 PC 32:3 14.45515628 728.5228335 0 PC 32:4 14.06128518 726.5068377 52922819 0 PC 34:3 15.8506482 756.5542169 24779405 0 PC 34:4 15.4434254 754.5385135 24779275 0 PC 36:6 15.48178963 778.5379681 52926182 0 PC 40:9 15.86219167 828.5535851 114944 0 PC 42:10 14.08229213 854.56865 52923327 0 PC 42:11 15.67521002 852.5544248 52925041 C00157 PC 44:11 14.61721754 880.5842745 90657370 0 PC O-20:0 10.8476325 538.4233479 52926129 0 PC O-24:0 14.0720946 594.4868613 497299 0 PC O-36:0 8.775948588 810.7055285 52925431 0 PC P-22:3 or PC O-22:4 12.43554085 566.4548916 129657 0 PE 28:0 14.34107881 636.4607847 52926069 0 PE 29:0 12.59405062 650.4760247 52922220 C00350 PE 30:2 14.06332321 660.4601179 0 PE 32:0 14.66967957 692.5231484 52926102 0 PE 34:1 15.4575029 718.5382789 44256607 0 PE 36:2 15.932957 744.5541669 53479625 C00350 PE 36:3 15.97846002 776.5917694 194725 0 PE O-16:0/13:0 14.97204709 636.4966792 52925150 0 PE O-28:0 14.08308635 622.4807294 0 PE P-16:0/13:0 or PE O-16:1/13:0 13.29932004 634.4808623 52926183 0 Penaresidin A 10.71329705 330.3004336 5281239 0 Pentadecanal 4.286973702 261.2900971 17697 C01948 Pentadecanoyl-EA 5.836052178 286.2740112 14455157 0 PG 31:0 13.29062292 724.5130347 0 PG 33:4 13.29418373 729.4682892 52925133 0 PG 36:1 11.68262099 811.6177978 24178114 0 PG O-32:0 10.48882386 709.5377211 53480667 0 Phenylpyruvic acid 5.063529278 165.0547226 997 C00166 Phytosphingosine 7.588486283 318.300187 444795 C12144 PI 36:0 15.35109202 880.5917434 52926302 0 PI 37:4 14.89230949 890.5765539 49837859 0 PI 38:7 14.17679298 881.5160018 52925448 0 PI 39:4 15.83898041 935.6341563 52926100 0 PI 40:8 14.75972921 907.5315076 52926174 0 PI 40:9 14.21000331 905.5148995 9546802 0 PI 42:6 15.80693277 939.5953484 154573377 0 Pleuromutilin 7.782442707 379.2485392 442076 C09169 Pregnanediol 13.10726938 355.332005 42608373 C05484 Pristanal 4.530373587 317.352642 14671060 0 Prosafrinine 4.153949998 318.3116855 9939965 0 PS 30:0 10.13845746 708.4816931 24779473 0 PS 32:1 9.765445455 734.4968247 24779468 0 PS 34:0 14.35437508 764.5445124 24778525 0 PS 36:0 15.83737581 792.5768305 9547096 0 PS 38:0 12.2176597 820.6056103 24779326 0 PS 38:1 7.311210565 818.5886344 52925309 0 PS 38:2 12.48750515 816.5761957 52925310 0 PS 40:2 7.583301332 844.6044705 52926104 0 PS 40:3 7.650226423 842.5885619 52926132 0 PS 40:4 6.331712443 840.5727237 2733532 0 PS 40:5 6.337996832 838.5568754 52925140 0 PS O-16:0/22:1(11Z)* 15.49636445 804.6107324 52922130 0 PS O-18:0 5.910663062 512.3352124 0 PS O-20:0/0:0* 7.44538653 540.3652297 52926101 0 PS O-34:0 15.24611356 750.5645999 0 PS P-28:0 or PS O-28:1 9.059613292 664.4552936 53480477 0 PS P-29:0 or PS O-29:1 9.48615792 678.4712153 24779393 0 PS P-31:1 or PS O-31:2 9.837097473 704.485976 10225211 0 PS P-32:1 or PS O-32:2 10.3538946 718.5023838 24778562 0 PS P-33:0 or PS O-33:1 14.24016844 734.5336102 91746197 0 PS P-35:0 or PS O-35:1 15.83324129 762.565249 52926301 0 PS P-35:1 or PS O-35:2 14.87188145 760.5492793 52926115 0 PS P-36:0 or PS O-36:1 13.99665873 776.5804771 0 PS P-36:1 or PS O-36:2 12.39365647 774.5650139 52924234 0 PS P-36:2 or PS O-36:3 12.53714408 772.5495254 52926118 0 PS P-38:1 or PS O-38:2 14.52070956 802.5964299 52927224 0 PS P-39:0 or PS O-39:1 6.359733317 852.6814633 9547085 0 PS P-40:3 or PS O-40:4 15.90748207 826.5962553 24779479 0 PS P-42:5 or PS O-42:6 14.6309596 850.5966145 52927289 0 R-Dysidazirine 10.53433702 308.2586077 0 Retinal 11.38577727 285.2212051 24779628 C00376 Retinol 12.3282182 287.2370204 440573 C00473 Rishitin 12.42502593 223.1692838 108064 C09715 SM 18:0;O2/16:0 15.96651998 705.5897079 52931133 0 SM 18:1;O2/12:0 12.58713331 647.5126158 0 SM 18:1;O2/16:0 13.8983679 717.5547054 52931114 0 SM 32:1;O2 13.97271492 675.5440867 42608371 0 SM 32:2;O2 13.07087217 673.5285535 42608370 0 SM 33:1;O2 14.64027412 689.5597766 10236627 0 SM 33:2;O2 14.10020915 687.5440978 52931143 0 SM 34:1;O2 15.38997254 703.5752552 3058739 0 SM 34:2;O2 14.43355375 701.5597759 91486 0 Sphinganine 12.5365207 302.3056984 42608375 C00836 Spisulosine 8.271456055 286.310493 5280382 0 Stearamide 10.56787998 284.2947544 31292 C13846 Stigmatellin Y 9.914007568 519.343089 5282078 C12150 Stylisterol B 15.73042958 447.3468309 5282352 C14158 Tetrapentylammonium 10.33382945 298.3467609 17249 C13815 TG 39:0 11.2698779 681.6008237 117811 0 TG 4:0/4:0/4:0 8.045859285 337.2337362 6050 C13870 Tomatidine 15.43503507 416.3520696 65576 C10826 trans-2-Tetradecenoylcarnitine 7.927067792 370.2952849 0 Tremetone 8.18527519 203.1065952 78673 C08992 Tributyl phosphate 5.730343707 267.1719651 31357 C14439 Tricosenoic acid 13.21072035 353.3412657 543855 0 Tridecadienoic acid 10.48788219 245.222507 5312396 0 Tridecenoic acid 12.3949545 213.1849166 5282735 0 Tridemorph 11.71199592 298.3106088 32518 C11285 Triphenyl phosphate 4.39606594 327.0778266 8289 C14235 Tuberculostearic acid 9.258290393 299.2945993 65037 0 Undecanoylcholine 8.425871492 272.2584345 0 Uvaricin 15.28888941 683.5576671 441645 C08572 METABOLITES_END #END