#METABOLOMICS WORKBENCH DovileAnderson_20210512_185445 DATATRACK_ID:2639 STUDY_ID:ST001795 ANALYSIS_ID:AN002916 PROJECT_ID:PR001139 VERSION 1 CREATED_ON May 20, 2021, 12:58 pm #PROJECT 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: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:PROJECT_TITLE Changes in mesenteric lymph lipid profile of mice upon high-fat diet with and PR:PROJECT_TITLE without Celecoxib PR:LAST_NAME Anderson 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 (part I) 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/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:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 26 ST:NUM_MALES 26 ST:PUBLICATIONS Manuscript NATMETAB-A20022406A Mesenteric lymphatic dysfunction promotes insulin ST:PUBLICATIONS resistance and represents a potential novel treatment target in obesity ST:STUDY_TYPE Untargeted lipidomics analysis ST:PHONE 8671141 #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 - Celecoxib_HFD_1 Treatment:Celecoxib_HFD RAW_FILE_NAME=Celecoxib_HFD_1 SUBJECT_SAMPLE_FACTORS - Celecoxib_HFD_2 Treatment:Celecoxib_HFD RAW_FILE_NAME=Celecoxib_HFD_2 SUBJECT_SAMPLE_FACTORS - Celecoxib_HFD_3 Treatment:Celecoxib_HFD RAW_FILE_NAME=Celecoxib_HFD_3 SUBJECT_SAMPLE_FACTORS - Celecoxib_HFD_4 Treatment:Celecoxib_HFD RAW_FILE_NAME=Celecoxib_HFD_4 SUBJECT_SAMPLE_FACTORS - Celecoxib_HFD_5 Treatment:Celecoxib_HFD RAW_FILE_NAME=Celecoxib_HFD_5 SUBJECT_SAMPLE_FACTORS - Celecoxib_HFD_6 Treatment:Celecoxib_HFD RAW_FILE_NAME=Celecoxib_HFD_6 SUBJECT_SAMPLE_FACTORS - Celecoxib_HFD_7 Treatment:Celecoxib_HFD RAW_FILE_NAME=Celecoxib_HFD_7 SUBJECT_SAMPLE_FACTORS - Celecoxib_HFD_8 Treatment:Celecoxib_HFD RAW_FILE_NAME=Celecoxib_HFD_8 SUBJECT_SAMPLE_FACTORS - Celecoxib_HFD_9 Treatment:Celecoxib_HFD RAW_FILE_NAME=Celecoxib_HFD_9 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 - CFD_5 Treatment:CFD RAW_FILE_NAME=CFD_5 SUBJECT_SAMPLE_FACTORS - CFD_6 Treatment:CFD RAW_FILE_NAME=CFD_6 SUBJECT_SAMPLE_FACTORS - CFD_7 Treatment:CFD RAW_FILE_NAME=CFD_7 SUBJECT_SAMPLE_FACTORS - CFD_8 Treatment:CFD RAW_FILE_NAME=CFD_8 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 SUBJECT_SAMPLE_FACTORS - HFD_8 Treatment:HFD RAW_FILE_NAME=HFD_8 SUBJECT_SAMPLE_FACTORS - HFD_9 Treatment:HFD RAW_FILE_NAME=HFD_9 #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 before the analysis. #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:DATA_FORMAT .RAW #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE 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 Celecoxib_HFD_1 Celecoxib_HFD_2 Celecoxib_HFD_3 Celecoxib_HFD_4 Celecoxib_HFD_5 Celecoxib_HFD_6 Celecoxib_HFD_7 Celecoxib_HFD_8 Celecoxib_HFD_9 CFD_1 CFD_2 CFD_3 CFD_4 CFD_5 CFD_6 CFD_7 CFD_8 HFD_1 HFD_2 HFD_3 HFD_4 HFD_5 HFD_6 HFD_7 HFD_8 HFD_9 Factors Treatment:Celecoxib_HFD Treatment:Celecoxib_HFD Treatment:Celecoxib_HFD Treatment:Celecoxib_HFD Treatment:Celecoxib_HFD Treatment:Celecoxib_HFD Treatment:Celecoxib_HFD Treatment:Celecoxib_HFD Treatment:Celecoxib_HFD Treatment:CFD Treatment:CFD Treatment:CFD Treatment:CFD Treatment:CFD Treatment:CFD Treatment:CFD Treatment:CFD Treatment:HFD Treatment:HFD Treatment:HFD Treatment:HFD Treatment:HFD Treatment:HFD Treatment:HFD Treatment:HFD Treatment:HFD Proscillaridin A 0 0 0 0 1218643.375 1605575.5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1648385.375 1906034.375 1698790 0 Decoside 4653.089355 0 0 0 576174.125 696415.375 0 0 0 0 0 0 0 0 0 0 0 0 0 3845.104492 0 0 650383.0625 722586.5 673433.5625 0 PG(17:0/14:1) 486418.2188 545108 242442.2813 655485.0625 538956.6875 165867.2031 190761.8281 129583.5234 506793.1875 0 0 0 4080.83667 0 8321.0625 0 8025.714844 469961.7188 520981.75 225472.75 497895.375 406356.625 366645.3438 105526.1953 458981.9375 162974.0938 CDP-DG(36:2) 145932.6406 79908.03906 102256.4844 127883.4297 50560.42578 12758.35059 83664.04688 20894.54688 160264.7813 0 0 0 0 0 0 0 0 94986.34375 95889.17188 44122.29688 98140.14844 99742.82813 48038.63672 17680.35938 126370.0156 18766.20703 4Z_7Z_10Z_13Z_16Z_19Z_22Z_25Z-octacosaoctaenoic acid 0 0 0 0 185898.3281 233234.5156 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 182447.3438 239515.7188 187526.8906 0 PE(30:1) 128629 64861.19922 69854.20313 139157.0469 73062.96094 20947.30664 41168.81641 23571.49023 137492.4219 0 0 0 0 0 0 0 0 118324.3984 77824.6875 41458.74219 67048.46875 91438.96094 70554.85156 10685.95605 90440.45313 17544.16016 PE(30:0) 77321.33594 72908.48438 88476.35938 166723.9844 112492.8516 33004.08203 44161.62109 25274.71094 73370.46875 0 0 0 0 0 0 0 0 97631.3125 83695.53906 36787.07031 82595.42969 85532.48438 56749.86328 20010.28125 94378.05469 19621.0918 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5'- diphosphate 115060.8203 74917.19531 85358.625 117697.8047 52828.42969 14589.71973 64205.83594 21949.85156 122412.4375 0 0 0 0 0 0 0 0 77392.82813 103465.4531 43146.60547 89392.96875 86248.80469 37436.39453 14232.08105 98562.42969 18278.11719 beta-Tocotrienol 8349.660156 9920.970703 4126.301758 4568.336426 524129.625 730722.8125 4702.053711 7762.132813 4293.887207 3139.876709 3916.42627 8206.066406 7586.541504 4635.294434 3914.270996 0 4646.092285 0 4053.786865 8486.724609 3246.994141 3689.412598 598523.125 864511.75 479623.375 4294.236816 PE(36:0) 19065.39453 30634.64648 26390.78711 30861.57227 115985.4922 39855.99219 23615.90625 12207.94141 20315.04492 0 0 0 3475.952881 0 3708.408203 0 0 37310.12891 63091.96094 22575.93359 53510.76953 34174.54688 42526.16797 8499.420898 29539.14063 31237.04297 [GL (18:0/20:4)] 1-(9Z-octadecenoyl)-2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-3-O-alpha-D-glucuronyl-sn-glycerol 66386.04688 125277.8203 0 0 34683.96484 56358.84375 23762.76758 62198.27344 60292.82031 0 0 0 0 0 0 0 19761.98633 42618.14453 53854.82031 143854.1094 31135.19727 0 31998.08789 71475.96875 0 72572.25 PS(33:0) 412973.2188 370898.5625 195802.2031 633240.625 236533.875 100934.7266 174283 120838.4297 462740.1875 17931.97461 9383.173828 8957.384766 18350.34375 16666.47852 16958.46289 8570.024414 22289.29492 422903.5625 389272 199577.0469 335447.1563 329789.375 259697.5781 96876.80469 365600.5 130602.6953 Dodecanoic acid 366974.75 501670.125 252226.9375 1778919.5 444267.0313 359194.125 400305.625 386756.9688 354809.875 23096.53711 18712.42773 18300.39844 35856.07422 25862.36914 47058.34375 22295.07422 45192.30078 301541.9688 445089.5938 432576.1875 470243.25 530460.75 465187.6875 614913.3125 943599.875 533315.25 PS(43:0) 58951.22266 104011.4922 30293.36133 78843.29688 56337.23438 48510.42969 43980.00391 39554.50781 63730.96875 6616.867676 0 0 10802.99023 7829.806152 11845.125 0 13907.79395 64023.17969 87656.77344 71928.17969 64545.875 56428.14844 53848.86719 25739.7207 92446.07813 50605.64844 N-(octadecanoyl)-1-beta-glucosyl-pentadecasphing-4-enine 170296.2656 140406.9688 123992.1484 548886.5625 302509.5938 183978.0313 150609.2969 144664.2188 169761.375 31395.30469 13183.76367 21558.63672 23208.35156 27407.50195 47046.23047 0 57979.59766 211668.6875 277230.9063 142832.7813 255995.2813 105188.8125 311127.3125 223448.875 278722.6875 216919.0313 PS(39:0) 37140192 40748332 29140198 40141176 31953610 33429542 32513330 30705428 39251456 4499128.5 4666833.5 4232853.5 7757139.5 5588123 7748437.5 2926719.5 10014973 36097540 39851288 38170032 38621904 38823192 38223336 26499618 42267628 35705668 PS(41:0) 540028.4375 489365.7813 262920.8125 705125.375 401894.375 399742.4375 291477.5625 311089.8125 559224.75 58770.62109 60841.39063 60935.57422 103115.6875 79053.54688 112992.3359 36897.26953 139537.2813 424239.5938 558468.8125 499324.75 519468.4063 403696 450699.5313 361914 579095.25 374827.75 PI(34:1) 4324564.5 4573234.5 1684108 5251332.5 2134372.25 1563566.125 1919651.125 1802745.25 4661336.5 415718.5625 473714.3438 339252.2813 806055.8125 564947.5 755530.25 317717.0625 886509 3495337 4258022 2969141.75 3331704 3140231.75 2677473.5 841771.25 4496000.5 2064969.875 PS(39:5) 331770.7188 241834.5469 88136.82813 195247.2813 146143.7813 160918.1719 99109.10938 145186.3281 351442.7188 33401.89844 17880.29492 26835.66406 37484.92969 36784.25 68070.30469 0 79892.35156 195726.5938 193311.0313 277502.0625 136129.5625 152688.8281 194449.6563 198779.875 243072.8281 170673.1875 PG(34:1) 1695040.125 1366374 1648970.25 1387135 1394043 716503.0625 932861.5 577550.875 1762578.25 196190.5625 257039.3281 188093.9844 304148.2188 292907.5625 160733.2188 201255.7344 286539.6563 1534311.25 1883620.875 980750.3125 1362978.5 1311274.5 1097473.5 252830.9531 1943692 490619.9375 PG(32:0) 85901.07813 126059.7109 149188.3906 153082.8906 219033.0625 49215.74609 78780.79688 25364.9043 85014.32813 12560.32227 15452.68359 10681.54785 16548.73828 18118.49609 19329.53516 14164.79492 17006.20703 100549.9688 94981.3125 58116.08203 110428.8438 101976.4063 72936.09375 22463.09961 108035.4375 42446.14453 PA(18:1(9Z)/0:0) 103266.3359 154690.0625 89864.73438 18791.625 98992.57813 92716.91406 153224.7344 116317.8672 98951.26563 15964.3623 24490.48633 24659.50195 36899.88672 38057.98047 47988.07422 28826.18164 67454.3125 81841.625 143617.1563 189347.2813 189319.2344 240617 97899.07031 203273.2188 174765.3125 197320.4531 FA hydroxy(18:0) 1558032 507460.8438 6719778 751672.5 1408745.625 1008966.5 6872575 2670346.5 1553425.375 185406.5469 1275124.5 239038.6875 1030878.688 1037374.813 338143.9688 745865.5 685154.6875 1496660.625 1712435.75 335908.2813 2013532 16026534 2778475.25 1278487.375 2368887 501170.8438 PI(36:1) 3428287.25 3451985.5 1703198.375 5021829.5 1661222.625 1094596 2070546.5 1308935.25 3550382.25 480386.875 539766.3125 437876.6875 682816.625 540649.8125 698065.6875 398565 642481.75 2922710.5 3498214 2542959.75 2021267.875 2792112.25 1684412.625 750295.25 2874358.5 1776240.5 N-(octadecanoyl)-1-beta-glucosyl-4E_6E-pentadecasphingadienine 436159.0938 295470.3125 236938.1094 1027575.188 543760.25 323498.4688 314682.75 377760.2188 492172.5 139185.6406 46415.40234 86683.28906 106653.8125 126245.4766 124929.4219 20330.37305 175120.0781 522318.125 538472.5 351470.25 466217.125 235625.4531 520018.4688 309191.0938 524345.1875 416038.1563 PG(36:1) 608972.625 371003.625 909096.5625 630311.875 404855.3438 201113.9844 456243.0313 221613.0313 611062.5625 98570.58594 115355.5078 94535.34375 129557.2734 117611.25 53992.98828 118296.75 92923.9375 550387.625 592405.875 268679.0625 399175.625 611518.8125 341055.5625 70914.10938 706919.75 133010.7188 PS(37:3) 513484.0938 503251.125 218786 378477.5625 394235.7188 355980.5313 213584.9688 271585.5625 531247.375 71369.14844 72799.21875 55167.42188 126295.2266 103588.3438 123018.7578 39304.35547 202277.9063 452854.25 448632.0938 458952.4375 347527.9688 322876.6875 422014.7813 257579.1406 485014.9375 325277.9688 LysoPE(20:5) 629519.375 690917.1875 246435.75 227799.8594 436894.5313 369222.4063 359456.6563 395247.125 623558.3125 108504.6875 113271.0469 123927.1875 143669.3906 147146.2656 93120.19531 91053.16406 183226.6094 397386.375 534896.5 471919.5313 529522.0625 441322.375 496666.1875 222315.6094 881664.3125 458309.9063 PI(40:7) 125084.6094 86424.03906 32033.94336 56229.10938 37415.69922 66116.21094 50421.89453 54732.33984 128686.6328 18218.0957 13578.23047 13171.59473 26230.18555 12770.15723 46961.66016 9800.642578 40244.63281 68563.0625 105873.8359 119359.6016 85085.25781 58880.88672 81259.79688 77964.75781 112499.6875 84357.375 PS(41:6) 1058846 1012908.813 282114.2188 436563.125 782050.1875 949877.625 431508.125 729539.5625 1096214 193997.625 138861.7969 137572.0625 262359.6875 198345.8125 377375.875 63184.51172 492882.2813 738991.1875 736545.1875 1574530.75 617933 487294.3125 882273.75 1314848.375 839780.3125 983754.875 [PA(20:4(5Z_8Z_11Z_14Z)/0:0)] 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphate 107651.1641 307235.4688 114158.0313 16942.08789 307848.6875 312367.2188 255154.8594 313898.9375 120813.2266 32442.66016 42458.39844 31596.19727 95134.15625 80967.89844 171974.7188 39723.02344 298529.3125 113797.5 252137.7656 340547.0938 468275.4688 481367.6875 311574.5313 638627.5625 345763.0938 505178 N-(2-hydroxytricosanoyl)-phytosphingosine 460118.4688 893127.4375 665155.8125 918841 961551.0625 663254.3125 623305.75 385961.8125 482754.625 119833.8672 211983.4375 151354.5469 252333.1875 301987.1563 169946.6875 178444.4219 231181.6875 638689.875 762887.1875 390268.0313 1045174.375 531778.8125 1152791.25 287646.9688 897188.0625 845274.6875 PS(35:0) 6332443.5 4875039 2460590.75 7064451.5 3273559.25 3029038 2595678 2560971 6334562.5 1078981.75 824177.625 1070976.25 1097125.75 1061172.625 1376129.75 327857.25 2647313.25 4296210 5426278 5008916 4254676 3384266.75 3428249.5 2314943 5049978 2876710 FA dimethyl(20:3) 70647.69531 86441.98438 49886.94531 98342.77344 71920.73438 83463.50781 87292.9375 64940.87891 72127.65625 16171.42773 24888.97266 16952.25 26082.73438 14045.30664 35466.55859 18988.18359 66562.08594 37603.76172 87738.57031 106017.4375 88841.0625 70201.27344 62463.75391 115149.2266 141569.0625 110693.8594 PS(37:0) 57218024 62510732 40266420 59087576 47609688 49603032 42461260 43346516 57323084 14241454 11420970 14232213 15782692 17019634 18553246 5959438 27163604 49145012 52188108 61095292 51580744 45935528 48778236 41654716 51635432 46140848 PS(39:4) 6845384.5 7450338.5 1828232.5 3225892.25 6225184.5 6161443.5 2568838.25 3577010.75 6767103.5 1696598.875 887467.0625 1278355.125 1588011 1747155.375 1721726.875 416323.1875 2919327.75 4688533 5221728 6593197.5 4634864 3123773 5301371.5 3723323 4983320.5 4940487.5 PS(41:3) 19233548 28930356 15042586 12202241 27301226 33347332 18614952 22683824 18806186 5979728 5938859 5486200 9170354 8770869 10819571 3139175.5 17078070 19964850 22257052 33149660 26295846 20098968 28002838 28800240 23186708 28927166 PS(41:2) 8371345 11574377 5349941.5 5740119.5 9771692 11341974 7967664.5 8918213 9115030 2552495.25 2216943.75 2196825.25 3835240 3974191.25 4012308.5 1195425.375 6743742.5 8540139 8650190 12657218 8989383 8129273.5 12632971 10248228 10489301 12284703 N-(2-hydroxypentacosanoyl)-phytosphingosine 293139.75 594454 479899.75 912895.625 890996.375 508431.2188 428871.75 245215.125 326571.75 142489.5781 178876.0469 139982.25 223311.3906 321580.7813 167927.3594 179746.3438 212880.8281 404619.6563 549933.0625 279465.4688 876629.125 304327.0938 959253.125 244267.0625 700103.9375 821356.6875 PS(O-41:0) 139734.3906 155741.6406 115915.2813 95681.41406 126829.4297 119394.4375 123851.9844 82950.99219 137144.4375 30623.10938 39625.28125 32591.53711 48795.07422 42316.55859 37271.65234 33706.25391 46253.06641 122142.2031 114578.4219 115844.875 107262.0781 139833.375 98513.85156 70504.38281 158819.7813 85309.07813 PI(32:1) 146977 105839.5938 55153.9375 169635.8438 48754.09766 43717.64844 65690.59375 56412.85547 177770.9219 36720.84375 34878.5625 30845.83008 45534.23438 27547.67969 47243.44141 17251.48438 44537.79688 103526.4297 153594.7344 87051.91406 115818.6328 98609.66406 78222.23438 33638.73047 160561.7969 51552.35547 PE(40:4) 117527.0391 167466.8438 212160.2031 433484.6875 151766.7969 156534.1563 137019.3594 135615.9375 135491.9375 76186.42969 63550.67969 71321.49219 65350.12109 102673.6016 72328.60938 73420.125 69811.98438 223356.4219 311153.0313 204808.3906 184755.4219 155869.1719 233703.6719 140077.875 212964.75 167810.3281 Octadecanoic acid 8127914 14022536 7295878.5 34471064 16777536 15421258 11569049 13234260 8300534 3375881.5 4421815.5 4348984 6613693 5002819.5 6082631.5 5192129.5 8947000 7855630.5 14600914 12802294 17062180 11435768 16997068 12601881 22999688 19259200 FA hydroxy(12:0) dodecanoic acid 85363.88281 106398.5156 104167.2891 108145.8984 67472.67188 71404.22656 140465.2969 80888.98438 78407.71094 29798.9707 44525.62891 24337.4375 45132.67578 27355.04102 42060.89844 34684.03516 51387.16016 65816.74219 139378.5625 71810.375 112780.8203 107795.0313 68349.22656 65537.92969 165038.4219 69565.42188 PS(40:0) 384871.3438 285321.0938 168728.2813 269826.5 193261.5313 212795.3906 190277.6563 201957.1563 396715.375 97146.80469 110053.1875 75329.25 193499.6719 115994.3984 168797.5469 76366.66406 267616.4063 297096.1875 535173.375 290599.125 444440.2188 387897.6875 395845.0313 153754.2344 447925.9375 221772.8281 PS(43:6) 2108342.5 1821715.875 1228538.375 976671.5 1472771 1879088.875 1381210.75 1650539 2137921.5 583126.5625 499644.2813 486711.4375 872154.5625 701838.125 1544625.75 238949.5 1286499 1284652.375 1584635.625 2481793.5 1369182.625 1511964.625 1683942.625 3378450.25 1899091.625 2076884.5 PS(37:2) 11535247 13364359 5433606 9965224 8540555 5785620 5241392.5 4495538 12325675 2817504.5 2377688.25 2502314.5 4463264 3560265 3849394.25 1356052.25 6772491 10215695 11957307 8557342 10028596 7711624 8703948 3419887.5 11037510 5342542.5 [PI(36:0) 133796.1094 238356.4688 40387.59375 16836.80078 53506.48438 74194.55469 65276.87109 95442.64063 121426.3203 40632.00391 21161.68945 26047.38086 26231.77734 21423.15234 30408.76172 13084.64063 46085.38281 107752.2578 88893.35156 71769.69531 53608.82813 53967.42188 70537.92969 34256.98047 91360.66406 47141.13672 16-feruloyloxypalmitate 256230.0781 146457.3281 143494.0156 186148.5469 733607.4375 407450.3125 201459.0625 275543.75 278414.6875 118151.7578 59139.46094 107584.9297 103855.2188 124229.2578 110164.5391 24921.49414 251056.9375 145788.5469 279725.9063 94688.07813 268770.875 267174.5 510598.5313 173988.375 439820.25 290146.9688 PE(40:5) 147704.4375 104930.2422 268640.5313 371786.2188 224238.75 218162.1719 113390.9219 106207.4531 150995.2031 33440.87891 67648.42188 167854.4375 110180.4453 36319.98438 119791.7969 93731.25 78614.03906 166549.0469 346892.6563 152113.1094 388495.3125 219116.375 191183.6875 49887.01953 345157.5938 83502.32031 FA (18:1) 67146864 76955512 56067320 239002384 62600424 67738976 83929672 88254792 71097496 14940649 21845844 20783622 46956220 25999458 58981404 28253566 76219744 53162232 89391512 74080392 83519864 92797648 71972312 80448840 143501328 90580808 PI(38:4) 28052070 32598662 12436147 20508700 21663204 27129298 17938472 20934898 27383190 9208404 7360115 7022966.5 13209503 12081358 17481102 4101612.5 20962592 19932296 22799844 33766188 26642142 20784876 26233186 28383576 30110686 30486472 FA (20:0) 278909.125 593523.5625 308318.4063 2079771.875 711234.375 633168.6875 524697.5625 469705.6563 283612.4063 156768.9844 248290.1406 204303.8438 336756.2813 271115.7188 401164.3125 223711.3438 469510.5938 298964.2188 728286.625 546334.5 689498.125 424961.3125 780489.8125 626351.5625 1100221.75 847411.5625 PS(35:1) 1781715.75 1124464 543768 1888576.625 585329.625 392107.9375 610977.25 522884.875 1807048.375 284472.6563 214444.9531 223975.9531 486286.4688 356660.1875 445419.8438 159608.8125 789177.0625 1111220.375 1115764 775285.375 795079.5625 968828.9375 776071.5 395999.1563 1208937.625 514326 PS(O-39:0) 223958.5313 178223.9688 100712.8516 119055.8594 101486.6406 169582.3438 163134.9844 168026.3438 220871.9844 60280.73438 69307.21094 71481.17188 89237.76563 112586.2422 96727.41406 56153.48047 102868.2422 138480.4688 169629.625 298040.4688 121974.8438 129345.6719 165503.5469 256592.5469 170637.5938 247726.1563 PS(21:0/0:0) 67755920 56182152 69632480 41600532 54457872 43602808 53066224 38072460 54910812 13121918 28157206 21636628 25735304 19959534 22431960 19014722 30917970 49159140 66197500 50163068 54610624 42212516 40298144 33119932 84736960 45881160 PS(39:3) 28504894 43346064 20580742 18371800 45100956 55633112 22669646 28941558 30669922 12630671 11641213 10848510 17262040 17777810 19071400 5942812.5 27574746 29780236 33250840 46396852 37961100 24675562 37363336 33486966 31073740 38791756 GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/20:0) 100454.2969 83685.75781 49351.5625 31158.69727 47113.91016 77410.92969 90385.5625 83024.63281 97604.45313 15594.71777 25668.45313 27039.16797 33671.67578 45666.51172 46868.03516 23525.70313 52064.92188 51461.11328 42977.41016 120099.8672 47075.09766 67503.39063 63852.19141 123069.4141 70469.85156 91383.76563 PS(41:4) 5078264 5917240.5 4252167 3279521.5 6321826.5 8144524 4691670 5033270 5310667.5 1907827.375 2211800.75 1754160.25 3273142 2379198.25 3794986.75 1131006.5 5088602 4840412 5291971.5 6739565.5 5855103 5242628.5 6282819.5 7455502 5634533 6315273 PI(38:3) 2834737.25 2908168.5 1153260.5 2198525.5 1732473.625 1955977.625 1726343.625 1738406.625 2811828.5 761157.5625 858975.3125 726472.6875 1193619.5 1191595 1629416.5 402708.9375 2242101.25 1988125.125 2080938.125 3405048.5 2101130.5 1778080.5 2246018.75 2253288.25 2881580.25 2621036.25 [FA oxo(14:0)] 3-oxo-tetradecanoic acid 459953.5938 458636.5 682789.0625 461157.4375 326105.0938 388294.6875 932781.5 441106.4375 457781.3125 117229.3516 326816.125 173867.5625 251191.1094 132953.875 264857.5 339021.5625 320248.4688 337776.3125 803211.5625 456488.4063 558160.5625 563343 269719.5313 363526.0938 962062.0625 244483.7813 PI(40:4) 76364.04688 94857.86719 53456.28516 109243.7578 33835.57031 57615.15625 65555.47656 70905.46875 70066.19531 43854.02344 33887.68359 23271.45703 37233.97656 31795.27148 64709.80859 21695.32813 59607.69922 74407.5 78915.44531 100727.8594 59473.76953 75004.98438 53946.37109 108371.1719 85091.98438 72011.47656 PS(38:0) 401052.5938 364947.0938 322791.0938 420603.75 276759.4063 317052.8438 293011 269508.875 433264.3438 148647.7344 160978.5938 152091.4844 196101.0313 170009.6719 228874.2969 99534.27344 251967.4063 363913.3438 429721.1875 406090.9063 344596.7813 340921.5 324261.9375 232062.7188 381459.625 295942 PS(41:1) 1507018 1570015 940123.1875 1413602.75 1007026.375 1406314 1091197.25 1034264.125 1621061.25 580102.875 576597.375 584249.3125 1115434.25 813654.25 1071652.75 241356.4844 720261.625 1247456.25 1298622.5 1802344.25 1299401.125 1327209.875 1398754.625 1325551.375 1617623.5 1280177.25 PI(38:5) 2250575.5 2124424.25 879317.75 1941943.875 987742.3125 1661665.25 1185033.5 1358999.375 2356342.5 744732 734824.125 542737.25 1259842.75 687854.125 2185718.25 373022.875 1953547.875 1379908.125 1956506 2361772 2171523.25 1532207.25 1992825.75 2312126 2715558.75 2230803.5 PG(36:2) 852812.5625 661459.375 949899.5 673975.25 735515.25 378622.5313 611968.5625 320634.5313 843811.1875 377614.625 371119.1563 365501.2188 442434.9688 398384.5938 175043.1563 349603.5 340102.5625 808921.3125 967147.875 534869.5625 843741.5625 733589.9375 595786.1875 162218.7188 1194834.625 248954.8125 PG(36:3) 147129.0313 98098.69531 156443.1563 106709.1797 93953.89063 52538.26563 100169.9688 46988.75391 159211.0781 15859.88867 61469.96094 65896.99219 76512.94531 66306.38281 45195.85156 53863.92969 74791.75781 139788.3906 166803.7813 78232.96875 125307.1563 120316.2578 95536.8125 32716.25586 179264.9375 41693.95313 PS(43:2) 105214.9766 81849.71094 43329.27344 87114.02344 42620.89453 61895.64453 63878.32813 67814.01563 106026.4609 32319.875 40161.6875 33775 50466.62109 47424.14063 55530.73438 18363.11914 64776.48047 74117.32031 76417.625 100938.9922 80470.08594 77795 59779.51953 72103.98438 113354.1953 73607.14063 PS(38:6) 19437.05664 12235.16992 29181.66602 249114.0781 14382.06934 21511.11914 25379.24609 21976.2793 18124.7207 14055.97266 7408.070313 14403.25781 10883.02051 20017.7793 35351.41797 12445.75098 17368.2832 43331.23047 43726.73828 32490.41797 23810.68164 16817.02148 29629.04688 47074.82813 10972.21191 30027.85547 PE(32:1) 73107.50781 46499.53125 75630.79688 118999.0938 52345.26953 37656.85938 47633.1875 31947.29492 100440.9141 27603.11914 26529.85938 30688.13086 25164.25781 34169.02344 35956.98828 26010.33398 22441.3125 69710.08594 73119.75781 47066.64453 49009.20313 49238.39063 67817.27344 23999.66406 71690.96094 29037.59961 Docosanoic acid 112125.7891 269647.5938 157375.4219 659730.5 361607.9063 311490.5938 193794.875 175027.1875 136377.7656 115749.2656 147789.0781 132232.4531 159310.5781 166847.4531 166427.6094 184166.4375 193997.1563 134168.3906 296586.125 249706.7969 255955.1406 173349.2656 362448.6563 401293.0625 400197.8438 353853.7813 PA(18:2(9Z_12Z)/0:0) 294742.3125 504059.9688 261278.2656 59123.375 363342.0313 371937.9688 492241.0625 514015.75 285290.25 154801.7813 156511.8281 177766.8906 402074.875 304294.4688 763931.3125 228795.0469 935204.1875 255955.9375 532477.75 438510.125 844679.1875 1137441 523348.375 820478.6875 1053909.25 804909.25 FA hydroxy(22:0) 47425.29688 139629.2344 65086.56641 270771.7188 197280.9531 88567.9375 127298.25 85319.80469 50309.875 25273.55273 34448.42578 36169.27734 111838.4844 86641.38281 111080.5313 76286.61719 56354.78516 54019.00391 100897.3203 73970.125 195136.4531 115452.625 184699.3906 80344.52344 154105.875 135837.5938 PS(39:2) 47266964 47142248 32231082 43875768 36722472 38270768 35003740 34431240 47480764 19284086 20402266 18305002 31075840 24772080 28555464 14078402 36001960 44002164 46669980 43131624 47721200 43582228 41315224 28270610 51851352 39152360 PI(34:3) 77803.78906 66677.21094 35829.26172 537740.625 37300.89844 21654.69531 49551.42969 32826.04297 89200.35938 36082.53125 34137.10547 36412.10938 45047.99219 34517.01953 38403.20703 15879.09863 43040.69141 71320.50781 84107.46094 57308.11328 64377.35938 64691.8125 50998.87109 21467.93359 100461.6797 33454.78516 PS(P-20:0/21:0) 170139.9375 164592.2656 149541.0938 105906.875 133290.1719 174839.4844 145978.1094 170790.9531 158838.6406 56546.08984 120343.6172 78789.75781 113003.3828 98118.82031 126650.3594 81675.75781 132277.75 121302.9766 153444.1406 270495.875 136850.0625 123992.375 138436.0781 241110.7031 152649.6875 210559.9688 PE(38:1) 153933.1719 112767.4453 96259.23438 178516.7656 153182.7969 87651.67969 75478.85156 48106.48438 153112.5781 39386.58984 75596.11719 53807.46875 60128.44922 69725.01563 58076.59375 40660.54688 51977.16406 121290.1719 121477.0078 80186.50781 105907.7969 109774.9297 108820.5859 40102.96875 124534.5703 46159.15625 Citrate 39404.94141 35636.02344 33924.95703 302170.875 33986.55469 51137.23047 39010.01172 27371.08008 48164.28125 23397.625 27352.69727 24597.96875 32340.625 25575.16797 39722.39844 28870.83984 54025.00781 28119.42578 49807.49609 45934.48438 42417.69531 69878.38281 37201.85547 63012.61328 108541.7109 41769.95313 PI(34:0) 52985.28125 49515.59375 32554.7832 114049.1641 60102.79688 34438.96875 35188.77344 39420.53125 64617.32422 29491.61719 19821.38281 27307.67969 25596.48438 46592.32813 62131.82422 18440.86719 42273.35938 41404.38672 67942.13281 60502.70313 66937.07031 34773.07031 57891.16406 52635.63281 68490.39063 56553.31641 2-heptaprenyl-3-methyl-6-methoxy-1_4-benzoquinol 178774.9844 183052.7813 209927.2969 622707.9375 409425.5313 397716.5 368696.5625 475758.5313 179712.4688 66051.75781 18956.58008 39011.17969 255636.8125 214073.7656 543982.4375 23972.76172 479959.0938 155354.4375 277626.4375 138644.2969 443080.4688 272837.4063 366687.7813 501322.875 303390.4688 605332.25 Docosahexaenoicacid 15696123 15353322 7903201 12571195 23590716 26766018 18919138 28430332 16196342 3683263.75 8647427 7399408.5 12414527 10118706 14709022 8911105 30319496 8261933.5 16176453 21144686 11871596 15117553 18231200 27556252 24999064 36196668 PE(P-42:6) 266314.5625 197095.8906 221549.6563 144503.3594 180489.6094 215863.2813 267435.75 189071.0156 270190.6875 92796.61719 150493.7031 132313.1875 150023.0156 162961.2969 191818.7188 103218.6484 172786.2813 161963.7188 200405.2969 289808.625 183147.4219 281697.2813 193099.0625 274332.4375 385509.7188 185398.8906 GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d34:1)) 83139.90625 158459.7188 67387.875 73666.4375 104744 147892.4531 108216.2813 96385.04688 85423.57031 30521.23828 70968.45313 44772.21484 74082.84375 46045.51953 105684.9063 40549.92969 126125.4922 50820.10547 98170.17188 206307.1875 90129.42188 80374.60156 75845.46875 137529.6406 113761.8125 130397.4531 PE(40:8) 29077.06445 22582.4375 30649.24805 250638.6406 42404.55078 43469.625 35747.18359 25936.60352 25379.10156 22246.19336 33187.01172 25046.21484 25086.33398 27636.30664 54878.26172 24900.53125 23881.39844 41985.24609 52647.54688 49038.21875 42361.12891 38328.01953 46093.90625 24163.50586 36897.01172 98792.76563 FA (14:1) tetradecenoic acid 54982.50391 62977.34375 61793.26563 63084.83594 45991.13672 65156.06641 87104.46094 62524.66797 58986.91406 19317.9082 39123.73828 26744.44141 51119.15234 23311.98633 58951.66797 42492.95703 51584.52734 41729.17969 77413.85156 58424.96875 54993.20313 71297.42969 51784.52344 45320.37109 108449.1406 54856 PE(34:0) 33667.58594 50029.76953 55577.65234 58311.9375 118103.7109 79992.32813 43561.51172 25359.09961 30546.17969 20554.64258 25563.82422 26147.14453 38638.69141 41193.34766 29103.25 19602.15234 20418.17969 48540.61328 55483.76953 35944.99219 48521.82031 48116.35547 44965.36328 20646.51172 30752.00586 59426 PS(36:0) 415801.7813 270428.9688 234182.8125 408168.9063 207419.7031 201719.4375 245289.5781 192130.4688 362004.75 160948.9688 169122.2031 160429.0313 166452.2969 136382.875 225764.9844 84558.16406 268364.6563 288809.9063 372746.5 336655.0313 237355.7813 288150.3125 198588.0313 158637.1875 298493.5625 207760.4219 [FA (26:0)] hexacosanoic acid 40531.48828 96425.14844 43301.79688 265071.6875 107997.8906 79866.39844 50095.84375 53449.58984 39208.22266 38333.25391 45807.35156 44907.98438 70253.85156 62359.23828 69434.00781 57531.85156 83886.82031 44591.69531 115922.4453 65855.10938 115630.3984 51687.66406 120979.7031 54600.16016 125242.8438 123733.1094 PS(38:3) 163429.7344 169745.9844 135752.3125 173712.5313 175334.25 193550.6719 117508.6719 120925.5234 163734.7188 67287.85156 70102.30469 57205.30078 122046.3516 132566.875 135167.8594 57340.19531 203208.2969 155014.9688 175149.9844 214588.8438 176519.0781 107977.4297 164956.2656 146811.5625 136339.9844 175854.5156 PS(39:1) 66185524 71158792 53890756 67377272 60057752 62781772 57354292 57020112 70738568 38866220 40116508 37483240 49617004 45391968 48273812 33744912 56880380 66861064 69059344 64552840 77701248 66378604 68133432 51418240 78561384 59606536 Hexadecanoic acid 5905410.5 9409585 5051058.5 18980288 8599955 7960201.5 7828665.5 8438407 6188654 2947118.5 4433126.5 3667161.25 7186134.5 5251082.5 7530014 5089470.5 10541364 4820252 7641971 6782677.5 8538030 7532402 10204558 8483543 13767256 11148290 PI(36:4) 3124126.75 3569667.5 1538040.25 2989031.75 3035820.25 3273222.5 1781121.5 2171255.75 3347685.5 1934301.75 1317905 1280124.125 2470308.25 2306983.75 2803491.5 694334.625 3507926.5 2507461 2657151 3304431.75 3783664.5 2524756.5 3328382 2214288.25 3537945.75 3510222 Ganglioside GD3 (d18:0/14:0) 96881.54688 166344.9375 90093.64844 69681.40625 106546.5547 160704.5938 116067.8828 124945.8984 117682.875 39426.14453 85335.9375 45759.74609 91321.26563 55472.5 132153.875 46232.71094 136011.75 60497.58984 93729.40625 214451.8594 117572.75 95876.75781 67043.03906 160973.3281 111054.2031 133539.2188 FA hydroxy(20:1) 56648 83263.79688 43748.27734 184219.1563 84539.60938 77316.32031 83690.53906 54442.46484 57831.32813 26713.26172 33391.88281 29449.8418 87020.89844 85130.1875 69025.53125 53708.36328 71647.48438 37588.80859 108223.9922 48125.54297 104214.2188 94537 115447.8516 68112.72656 123000.0703 60108.625 [ST hydroxy(4:0)] 1beta_3alpha_7alpha_12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid 190481.0938 107685.6094 230804.75 193513.2344 632858.375 443594.1563 223346 279805.9063 246445.0938 169207.4375 131169.2813 204523.9844 171913.75 193695.7813 153068.5938 55793.72656 419161.2813 133580.7813 178207.2969 103484.2969 236661.3125 285244.3125 499577.3125 224853.3438 516851.6563 290960.8125 1_2-di-S-octyl-1_2-dimercapto-3-propanol 194783.7813 209970.3281 190405.7656 483142.4688 118562.4922 69070.875 247392.9063 266336.7188 215808.7344 56774.75391 26360.86133 33981.11328 214412.375 132949.5 183784.0156 39654.57031 234399.9844 106916.3594 92060.4375 85811.14063 330716.0938 352590.1563 94673.17188 67882.3125 130654.0781 255702.5625 [PS(20:4)] 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine 49873.03125 44409.89453 40393.93359 239602.4531 46580.40625 56283.85156 28796.73242 31556.79492 49968.05078 19083.75 25642.6582 37645.64063 17388.97461 32312.4375 83466.17969 27403.47266 71406.45313 34563.61328 53176.47656 84800.19531 51107.0625 41828.67188 47988.03125 89577.05469 64457.47266 45844.81641 PS(36:4) 12893.28613 13229.2041 19454.48047 359647.0938 11661.00488 23415.44922 14997.78516 17900.99414 17476.72461 15804.57227 0 16504.08984 7917.780762 19523.09766 45976.24219 8841.991211 20935.41797 23380.81641 31241.78516 30138.30664 20420.25195 15557.25879 27159.79883 34339.12891 16408.3418 21876.93945 Cholesterolsulfate 30384206 24282768 18704022 21325718 23839796 25769656 18930504 18672268 30428828 9881211 16652845 15333230 20945082 15519500 12118797 20117828 33679344 21343750 35009304 24546276 32076542 24579720 24683120 9670352 43743740 18961498 PE(36:5) 149445.5938 85206.75781 98416.92188 228238.0938 95390.875 83650.1875 70043.91406 44830.42578 168752.9531 87685.78906 84461.23438 74248.24219 53336.75781 57425.59766 55194.94141 56723.27734 59720.22656 106563.7891 154189.5156 97429.14063 87338.46094 81620.78906 92432.36719 34437.99609 136041.9531 65682.54688 FA (20:4) 7135055.5 11778547 6913703 9835695 18570276 24131090 15199017 20473828 7326931 3305922 8675717 6281022.5 11772618 8643331 12680996 8154085.5 29321214 5737128.5 9834021 15891110 12061325 10563185 15990796 19125864 17228656 33103896 indole-3-acetyl-methionine 40821.67578 54349.39063 44460.97656 144080.7969 46887.71484 50287.30469 59282.46484 61943.69531 51229.19922 33590.07422 36560.14844 36415.47266 50399.60938 39327.91797 60462.78516 41948.31641 63436.76172 42022.5 52339.37109 54034.57422 59668.10938 64060.63281 57617.21484 59206.63672 104484.5234 74717.96875 FA oxo(18:0) 1428068.875 2648853.5 1179053.125 5646478.5 2559050 1155891.625 1810114.5 1430358.25 1460062.375 746112.375 646186.0625 854958.625 1874109.5 2123471.25 1302662.375 1584132.75 1777639.5 1319458.75 1754695.25 1507402.5 2507224.5 1871662.625 1978732.25 1498188 2718360.5 1934935.5 Tetracosanoic acid 90033.54688 241266.5156 112773.4766 799470.875 248901.5625 210868.8281 154825.9219 126338.1484 82162.40625 95402.38281 131247.5625 117053.0313 180272.0625 168744.6563 170382.6563 136262.1094 219074.0781 90627.4375 256657.7813 163736.6563 241416.2188 132008.7031 220645.625 166251.7031 318106.9375 304274.4688 PI(34:2) 41797.03906 45370.99609 33427.75391 534366.5 33277.40625 18151.9707 24234.60156 28838.51367 58423.58594 24266.21484 9720.09375 24453.14453 30356.3457 30566.00781 44144.84375 13283.34961 37033.95703 36283.81641 40377.94922 35923.97266 35070.46094 35169.75 35315.39844 14311.65234 64726.625 27251.94922 Avermectin B2b monosaccharide 70595.51563 79256.6875 68769.20313 111180.1328 82482.33594 68306.55469 87729.32031 83474.61719 73325.09375 56243.67969 42238.28906 52060.05859 60979.42188 52576.71484 70480.875 53569.58203 63004.10938 61591.41016 67958.64844 65418.40625 83232.74219 75729.875 76996.28125 75206.74219 81140.42969 91226.96875 Ganglioside GM3 (d18:0/16:0) 107757.3125 42900.03516 60034.15625 29539.03906 35870.46094 83239.03906 58528.42578 63311.14844 81479.57813 22931.95898 57571.80078 36016.65234 47169.15625 38907.06641 54977.47266 22192.23633 45499.45313 33450.15625 44273.26953 86539.02344 41887.88281 38032.48438 41635.28125 87312.21875 49088.92188 66940.66406 Aeruginopeptin 917S-C 135901.1563 136336.0625 149428.0156 120035.6406 172480.5781 204472.9688 152913.0938 172576.8281 134947.3594 119917.7109 111301.4688 105023.1484 158350.1875 137830.7813 161892.6875 71634.66406 163235.6563 140994.0469 141731.375 174369.4844 164418.5469 163880.3438 166008.8125 216605.875 155939.7969 196322.8125 Cyanidin 3-(6-acetylgalactoside) 389953.2188 360168.3125 241467.1563 67061.47656 352427.7188 408701.25 219248.2188 381382.3438 351187.9688 279068.0625 182327.3438 215797.3281 295498.5625 168855.5469 108483.1875 264894.0938 553748.6875 275664.5313 437029.8125 353721.8125 475292.0625 234642.6719 464516.125 123479 560130.75 127982.4766 PS(40:5) 104999.5703 78902.69531 65772.72656 243494.5938 49236.6875 58223.34375 65476.62109 76203.67969 109851.1563 63174.87891 34841.30469 38057.97266 62327.59375 85882.80469 97869.84375 36172.41016 86191.95313 93278.75 100077.4688 117101.7969 55876.72656 58267.16016 77269.04688 90270.40625 66505.5 66012.78125 FA hydroxy(18:2) 138001.2969 259402.8125 161455.8125 310349.625 244004.0313 125769.5781 181930.8594 159532.3125 163013.9063 52286.58203 161508.5469 110999.8906 201372.5469 178560.5156 129466.9844 174114.0938 335064.125 174558.1406 271644.625 153511.3594 361532.4375 182057.3438 197392.0938 111429.6094 285824.6875 185690.1875 PI(36:2) 7395922.5 7146730.5 3749497 10442678 4111784.75 3340699 4588842.5 3410891.5 7492700.5 3728097.75 4254637.5 3703754.25 6446215 4861799.5 6704840 2582637.75 7419059.5 6585123 7585835 4814227.5 7424230.5 6999996.5 5943155.5 2262339.5 10388726 4597305 [SP] Sphing-4-enine-1-phosphate 52851.74219 37174.33203 34730.22266 142104.9219 48410.30859 45981.34766 32526.33203 31242.5625 51754.30859 22431.26758 52384.73438 36330.02344 33568.98438 29897.56445 58351.78125 29220.77539 44987.10156 37192.67188 38447.60156 62530.91406 44358.55859 47106.66406 36169.71484 70469.75781 41590.55859 57962.6875 PS(P-18:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z)) 70111.21875 61125.69531 58667.16406 115019.6484 58406.96484 69540.625 92122.74219 65123.31641 69487.17188 45068.28906 60336.35938 48876.09375 63214.12109 58400.05469 77251.38281 46249.86328 74407.40625 53670.72266 70292.82813 87430.94531 70882.24219 66884.79688 62427.78516 80938.25 101763.75 74652.21094 LysoPE(22:5) 110027.3594 161407.5 134585.875 192689.6406 165909.625 159436.7031 164929.3125 124908.2891 109330.0547 136642.8125 117272.7656 175917.7344 148539.4219 164324.5313 130888.3672 90036.10938 150346.1094 92020.82813 156623.4531 175462.5781 267184.375 194452.4531 140453.9063 111119.0391 270116.8125 162274.5625 Melampodinin 77604.44531 100004.0234 75668.21094 101792.7344 82111.65625 83638.86719 74218.85938 71295.22656 78596.28906 58108.05078 52934.87891 64921.23828 64261.32031 77359.89063 68315.24219 63754.35547 70341.97656 81720.13281 68075.97656 73969.39844 100433.7422 73089.38281 69963.39063 94357.85156 75143.10938 88333.80469 PI(36:3) 1604581.5 1371324.625 639963.5 1566541 757457.875 816838.3125 881747.75 858411.5625 1637685.625 889531 887188.75 747818.75 1364070.625 1004086.5 1720729.625 450698.4375 1662828.25 1253666.75 1433296.125 1098956.25 1590781.125 1277581.75 1346519 604969.75 2157613.25 1110020.75 PE(O-42:4) 77786.58594 103508.1563 97491.20313 51348.71484 122271.9844 107275.9844 100620.2422 68691.83594 89577.50781 42400.10547 85424.42969 55881.78906 80000.92188 73760.375 77898.11719 62802.10547 90999.63281 74617.50781 71468.96094 94297.67188 81856.40625 108910.7266 85444.52344 56213.83594 132015.2656 64570.6875 PS(37:1) 83703648 99897536 63981564 83307848 91155360 94848200 72255792 75688856 95768048 70347696 60688920 64317172 80220072 82813224 69355720 50885792 91893304 81628760 88172600 87967760 99626512 79108200 89741704 67459952 91137568 84433584 FA (22:1) 188070.8125 201890.5781 143720.2969 704281.4375 237205.7031 289965.1875 249105.8594 209186.8125 191107.8594 83783.125 244175.7969 169844.4688 267753.1563 174855.8281 310399.875 163186.3438 396011.875 133261.0625 253587.0469 132024.8281 233583.6563 294614.6563 398279.3438 266541.9375 448613.3438 272032.2188 FA (20:1) 1212211.25 1234685.5 977090.0625 5530859.5 1574750 1978374.25 1693013.375 1479861.375 1301481 495865.9063 1701326.25 1147224 1555263.75 927881.1875 2304572.5 1051902 2447244 994894.8125 1848777.125 1200623.625 1470167.5 1760975.5 2048140.75 1784221.75 2695445.75 1723947.25 PI(P-33:1) 155748.875 186091.7188 157071.25 160039.6094 158247.7813 218400.125 166021.5625 165193.5469 150339.4688 89605.28125 204707.75 141315.8594 152249.8594 140773.0156 158165.9063 150984.9219 181259.2969 145457.7813 208467.2031 187299.5 192177.4063 162090.5 158305.625 170273.125 223147.8906 179328.2656 PS(36:3) 12619.13477 0 12022.87793 209601.125 4338.935059 9824.636719 8833.683594 11387.29395 11856.83301 10648.10059 0 10633.37793 0 15911.76074 24849.66211 13111.66895 11825.26172 13683.7666 17452.32617 13749.27539 7645.628418 10234.69238 15169.25879 13969.13672 11821.95801 9963.645508 [PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 83316.21094 47880.71875 58554.75 115011.2266 39834.39844 42923.4375 43733.70313 36286.25 80061.92188 28026.44141 30746.00391 42960.40234 33512.19922 38971.76953 52690.37891 36494.46875 50994.59375 44537.32813 59543.36328 41539.46094 40048.29297 42556.54297 39850.46094 42033.53906 58465.98438 41803.02344 FA (20:3) 769679.25 1081022.125 552704.25 1234001.375 1394605.25 1920502.125 1218578.625 1592470.375 785193.8125 402184.4375 804396.5 769569.3125 1219028.625 1129448.125 1405770.625 708783.1875 3493771.25 580615.8125 1386137 1359108.75 961780.1875 1012785.063 1296131.375 1784643.75 1944424 2599937 PG(34:0) 52541.24609 78553.08594 101777.6953 60543.40234 182819.8438 62412.85938 62537.03906 16910.27734 55116.38281 48770.83984 43799.15625 39767.75 84373.25 86540.33594 33232.79688 38622.62109 29244.05469 67268.34375 71453.51563 50637.53125 80588.94531 63635.57813 56575.63281 19635.97852 78490.71875 32893.85547 FA (16:3) 47079.98047 56552.23828 45139.10156 88522.73438 87704.78125 112592.3828 73613.63281 94124.85156 55074.05078 29651.87305 72912.76563 41715.96875 59208.89844 32227.82422 57532.85156 50739.32813 112509.8906 31455.60547 59546.36719 53621.625 57348.94531 60678.72266 79584.41406 83246.67188 90858.16406 69500.40625 PS(43:21) 75014.92969 88310.19531 42813.92188 94261.63281 52990.14844 45385.47266 44590.12891 38481.1875 65981.19531 57084.55078 52215.39844 45112.52734 79455.50781 51482.87109 82348.75 26837.62305 77257.52344 63420.42969 83035.08594 56010.51953 70556.25781 68704.50781 69615.17188 29725.96289 113667.4844 47784.59375 1-18:0-2-18:3-monogalactosyldiacylglycerol 30053.11328 47075.48828 17984.6582 39850.00391 49691.56641 56509.33594 42461.03125 49214.14844 34562.48047 11720.07031 20130.27344 21629.10547 34418.98438 30776.04492 57125.55859 23055.52734 123626.0078 20451.45703 32502.54102 47488.57031 46765.36328 38608.32031 41327.11719 39109.79688 73304 72197.32813 [FA (22:4)] 7Z_10Z_13Z_16Z-docosatetraenoic acid 277658.5313 404179.4688 264661.7813 279148.4063 532935.125 624714.75 401928.6563 497947.75 269658.8438 205379.7344 406561.5313 281313.5625 398381.5 263687.875 443530.5938 304985.25 762791.375 248483.5 357577.6563 371803.0625 431174.8125 363871.9688 459126.25 471323.25 664180.25 535005.75 FA (18:4) 89684.25781 54854.80469 36884.16797 133229.2969 40756.23047 45522.67578 54510.47266 100120.7578 77739.73438 39931.47656 53956.91016 51416.62109 68974.25 40788.34766 75014.85156 53319.46094 84596.86719 48437.19141 62372.01953 55148.63672 51228.26953 69250.88281 55787.28125 53153.5625 116597.2422 81468.24219 3-O-(6'-O-(11Z_14Z_17Z-eicosatrienoyl)-beta-D-glucopyranosyl)-campest-5-en-3beta-ol 50086.36328 56916.87109 17808.94336 182435.6719 32025.70703 58876.17578 33317.62891 31394.20703 47015.88672 33996.13672 47741.70703 50009.41406 30039.94727 53530.54688 59945.91406 30583.83594 41429.48047 26267.05078 50112.96094 79058.40625 35906.99609 32449.98438 37151.42969 68471.20313 42623.31641 67868.5625 Homophytanicacid 25283.5957 44981.3125 23789.36523 66503.27344 112202.8281 109058.375 38669.21875 35150.82031 34934.60938 36793.15234 57936.66406 52055.17188 65362.99219 61540.76172 63064.36719 46266.3125 126902.5781 32565.02539 68320.39063 39180.48438 47092.50391 37445.57813 103867.7656 103589.4531 135169.3125 61682.23438 MG(0:0/16:0/0:0) 148065.5781 140662.375 158979.9688 178555.7344 177547.375 149647.5313 162868.9063 139015.0156 138006.5625 128573.6641 141474.1875 147105.5313 142915.2344 147459.6094 134802.6406 156118.9844 148140.7656 154225.5 150443.7656 152284.1875 153152.5 147344.4219 162313.0156 161568.6094 154071.7031 175973.0625 PE(P-20:0/22:4(7Z_10Z_13Z_16Z)) 147991.0625 132179.125 117418.3906 73743.60156 136187.2656 92071.80469 139332 111179.625 159595.0781 65149.35547 111033.9766 98410.91406 90740.94531 105343.8516 76792.63281 80995.09375 107105.7188 118221.625 85365.19531 106608.7734 80126.21094 151060.4844 103959.8438 54601.85547 148572.7813 54224.70703 PS(38:5) 9755.428711 0 0 1586200 0 24777.52539 0 0 7688.231445 3822.010742 0 11092.99023 0 10533.05957 83961.61719 0 22407.36133 23990.5332 30298.95898 28131.68359 0 16607.42773 9147.648438 28078.79883 11176.83691 12141.2041 Thiocoraline 93749.0625 68079.91406 67842.4375 64979.42578 48804.91797 62410.83984 70259.96875 54454.66016 83713.67188 20016.36328 104505.2969 26960.6875 72199.00781 23134.87305 101323.0859 35341.75391 62060.28516 48152.44531 41050.14453 72791.47656 65053.72266 58721.57031 44852.49219 75527.85938 59315.52344 64723.75781 Bilirubin 75981.99219 48039.72656 66122.10938 0 55810.35547 70028.14063 66830.46875 57227.78516 65007.16016 30249.46484 108283.1641 60154.19922 57821.01563 33395.01172 77458.25 79329.85156 149267.8906 37372.24219 102808.8047 54865.71875 95544.5625 88040.01563 71694.51563 85956.45313 127901.7422 41948.73828 [PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 97539.32031 98230.4375 175935.7813 71351.08594 144783.1719 60615.58203 113165.2656 43734.71094 71838.58594 47374.83594 101073.6016 71469.16406 81588.1875 90522.53125 47198.70313 123435.4688 70185.96094 92427.73438 99570.20313 66774.85156 93688.42188 77852.67188 71732.41406 39518.23438 151285.8281 55169.32813 PS(19:0/0:0) 1849613.75 1268837.375 1402293.875 927283.5625 1406134.75 1121060.75 1053230.125 1020260.875 1408533.375 896952 1637879.125 1196337.75 1307614.25 1033967.5 1275245.125 820435.4375 1921111.5 1001163.5 1560834.375 1429683.875 1361594.375 838214.75 952073.125 1099638.75 2324692.25 1288445.125 3-O-(6'-O-(9Z_12Z_15Z-octadecatrienoyl)-beta-D-glucopyranosyl)-campest-5-en-3beta-ol 105600.7578 52579.75 30094.9668 137739.9375 36230.76172 63849.33984 55950.53516 62404.82422 97386.29688 52568.36719 53151.85547 76032.6875 50319.96484 109808.9453 71962.32031 36893.4375 57955.38281 48622.03516 52436.87109 95717.42969 45676.96484 40187.83203 58468.11719 100548.3906 62317.05469 79278.75 PS(O-16:0/21:0) 330265.0938 218600.4688 430303.625 350045.0625 161452.2344 238206.4219 367441.1563 276121.625 302315.75 216125.8906 313790.875 277126.0625 261206.5313 267832.9688 413061.2188 283921.2188 256209.4844 264738.6875 342696.1563 358800.75 226845.7813 257739.5156 199729.125 371611.7813 250153.9531 303766 PE(38:2) 240441.8125 119079.1172 184475.4219 388786.625 122115.9531 71352.86719 93559.89063 66694.60938 251035.5625 103812.2813 176578.375 117783.9219 187498.8281 142450.5156 75301.35938 164125.7031 195982.8281 211482.25 202589.3125 106654.9844 171311.1406 170361.3438 135742.125 34909.75781 221765.3281 53898.38672 Retinyl ester 739110.75 810304.5 334646.0313 748186.9375 796944 910816.375 879301.875 1160257.625 768394.625 456932.9063 517540.9688 688980.3125 915017.875 809624.875 1015534.75 540088.375 1638645.75 391416.4375 647524.0625 753395 488516.0938 607821.875 884060.8125 991872.75 1033519 1555282.25 Cer(t18:0/h24:0) 115408.2422 171472.25 133007.5625 190028.1094 218763.375 180052.875 142103.7813 87563.80469 112310.4297 130947.7578 194284.75 152579.0781 233953.0313 300293.4688 126197.0391 168680.0938 231400.2656 139583.25 240593.6094 122243.3984 262496.8438 117863.3125 247479.9844 80898.25781 181181.2969 266321.3438 FA hydroxy(20:4) 55478.05469 24113.00781 27820.54297 4019399.75 39695.01953 181430.3125 30632.0957 34589.32422 44668.30469 12689.10059 25658.05859 26263 30872.04102 24227.55273 93035.46875 28655.27344 221945.4063 41849.60547 36507.71094 43597.17578 26280.78516 48156.49219 38452.78516 109992.9141 83839.55469 60088.45313 FA hydroxy(18:1)] 97738.44531 276663.0313 135561.6094 436315.9688 300762.4063 117297.5313 177740.2656 89337.22656 98159.85938 61853.26172 77188.35938 67286.75781 399526.3438 381034.25 404304.6563 260239.7031 213115.6719 128813.4297 184417.2031 91499.75 458145.125 230918.0625 259796.2813 150971.1719 296417.1875 161855.8594 FA hydroxy(20:3) 7914.052734 6994.266113 7097.683594 303732.7813 17019.95117 16290.61719 6725.211914 5997.289551 10090.8877 4521.416504 6840.948242 5945.049316 14411.07715 9925.325195 17821.83398 9412.380859 34101.625 13218.96973 7146.53125 7924.4375 6703.613281 13122.11523 13941.37793 12935.21973 13279.13867 19980.56641 PS(40:3) 298529.4688 361853.75 179796.2344 142053.5313 368707.75 468992.4688 220260.3594 288086.6563 244918.3125 223023.375 242434.6563 200828.3906 408381 359817.125 501768.125 135905.8438 792560.5 240242.3281 322110.0313 422009.125 355761.8438 270678.125 381286.2813 363366.9063 270072.7813 370525.5625 FA(16:1) 1325071 1168079.375 1153128.375 2861905.75 1044477.5 1022076.75 1488274.25 1529986.625 1279685.5 769524 1051672.875 824536.625 1653812.5 683859.625 1698187.125 1432722.25 3145849.5 867136.75 1241588.5 1126236.125 1185626.375 1435015.75 985313.125 1200892.5 2189296.75 1341601.75 [PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 108408.25 64770.84766 211283.8594 61018.4375 108560.0859 40829.29688 76702.0625 42267.32031 70162.99219 39773.46875 112464.625 84125.35156 68760.55469 67377.26563 28484.34766 136153.5625 52518.02734 65751.35156 97580.36719 42894.74219 70268.44531 63476.54297 46000.03516 20024.80469 155825.7031 39101.40234 [FA (24:0)] 15Z-tetracosenoic acid 75663.14844 99258.29688 83426.84375 215388.0469 111077.2969 134434.3438 129952.8125 83716.04688 79780.05469 78853.83594 144950.3438 115552.9531 136445.0938 132281.1094 158333.4375 119816.875 186805.2031 79162.07031 145910.9688 71676.89063 106625.8594 122122.9453 135213.7969 86513.92188 187318.7344 104501 PC(21:0(CHO)) 426566.5313 400170.0313 472471.5625 198448.2813 465525.5625 455945.0938 339520.375 276823.4375 340623.375 250823.1406 572729.625 436278.5625 518881.7188 388738.9063 519422.625 338416.2813 526776.9375 271962.8125 403386.4063 446378.5938 359100.4688 242240.1719 273271.6875 383142.1875 587840.5625 413825 LysoPE(20:1) 159991.4219 148471.9688 158177.2031 140010.0625 142336.1094 97689.27344 133458.1563 102824.5156 156630.3594 84895.89063 254986.0469 138646.0156 169071.4844 135749.6094 136281.0625 180029.5156 133370.9063 114921.4844 122953.5547 116766.5313 129073.3281 138290.0156 116751.0234 111948.0547 201152.1719 117781.2266 FA (22:5) 517229.4688 468217.3125 220029.5938 546307.5 405721.5 501098.9688 537981.4375 730178.6875 543737.5625 429108.2188 580809.875 727260.8125 834302.6875 777482.3125 965028.0625 571975.875 1663336 304070.625 670172.3125 519472.9063 750865.75 726775.625 470635.9063 864570.5 868300.3125 960978.625 PS(18:0) 89234.05469 18301.67383 150392.6094 202020.7656 27735.56641 25670.08984 40969.69922 21018.96094 73183.96094 48542.62891 51066.26172 74814.66406 26919.2832 110673.6484 78552.375 104999.8906 62198.92969 54503.19141 91299.85938 63797.46875 23675.71484 32567.23633 43151.85938 55868.61719 72555.83594 74771.58594 FA (17:0) 100841.0938 111551.375 82148.29688 263670.125 141885.1875 164535.2813 108747.3359 156351.4531 102568.8594 101973.75 168945.6875 133065.5469 232850.0156 168050.875 182868.1094 158716.0781 363127.25 87563.1875 142607.3594 126333.7422 132461.8125 125590.1016 171398.1875 157654.0313 216828.6563 197018.5156 PS(42:2) 50022.16016 41395.41406 18230.4043 29754.06641 29473.35547 41069.44141 27178.49609 38888.72656 52704.875 41158.48438 39199.01172 33563.49609 77993.75781 70039.30469 68800.52344 30036.31836 138714.6719 34182.25781 52698.02344 55409.11328 49912.86719 37406.77344 59071.43359 45469.01172 50831.27344 51948.33984 [PI(20:4)] 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-myo-inositol) 1976055.875 1748398.75 1850053 634590.25 1868553.875 1704435.625 1589596.25 1503445.5 1383247.5 1241182.875 2502797.5 1794582.125 2095256.375 2089908.25 2138138.75 1589990.625 2659960.75 1245582.625 1524850.5 1763189.5 1494419.75 933943.3125 1202515.375 1728946.25 2071140 1889574.75 PE(P-20:0) 63686.10938 47545.57031 79586.84375 43805.58203 47245.77734 47312.00781 85843.77344 42770.82422 54213.03516 30383.83789 124986.7031 72051.80469 56771.17188 62158.86328 69799.67969 93147.10156 56795.41797 42858.82422 48080.63672 47119.37109 37048.1875 60512.67578 44012.90625 43199.40625 114637.0313 45997.99609 PS(38:2) 244738.6719 208070.3594 159268.0781 220626.5 191885.2031 175071.4219 153489.6563 143466.2031 269013.7188 215068.5313 266368.4688 178055.9063 329640.0938 243069.625 343440.1563 149787.7656 452709.125 201744.6875 282062.0313 188165.6094 227836.2344 203674.1719 206714.1563 123617.2188 242186.5625 172726.4531 PS(20:0/0:0) 217658.7344 157887.1094 208805.5313 139193.25 197421.8438 160020.7344 156003.3594 152573.0781 163591.2188 172392.0156 266508.8438 212068.4688 261890.1719 201839.6406 275889.3125 161949.5625 307462.3125 146875.1719 242257.3125 153660.9844 194821.6406 145673.2969 141974.0313 121871.3672 236863.875 175825.0469 (4Z_7Z_10Z_13Z_16Z_19Z)-Docosahexaenoic acid ethyl ester 180041.1875 134250.3125 69788.36719 179689.9688 89547.10938 99477.10156 127818.9375 158558.9063 179762.5625 68560.5 197579.7344 133180.1875 137559.6406 75192.44531 315073.4063 139759.4375 336106.8438 78070.3125 92756.07031 127943.9141 65992.92188 95882.02344 109372.0469 188761.4219 185981.6719 188680.375 CGS 7181 56530.70703 61468.44141 55068.01953 92333.83594 56789.85156 44908.42578 56893.62109 81555.77344 66308.28906 63294.37891 70651.64844 77637.76563 70989.07031 95400.82031 66437.53906 75977.47656 96347.59375 47659.69922 42699.47656 49511.17969 51863.60938 52652.78516 45258.57031 75384.28125 71108.14844 60402.3125 PI(37:4) 153709.4063 166102.25 71917.17188 125069.2422 132598.8438 139346.8906 79533.20313 95914.17969 158779.1875 173211.1875 120714.7422 127553.4531 238550.7969 195803.5313 325713.625 84961.04688 400565.1875 93703.21875 139068.4531 159839.4844 165599.125 121051.75 180192.7031 107204.3906 165787.6406 161567.1094 FA (23:1) 22142.59375 26224.60742 19553.19727 56354.46875 48082.13672 43547.41406 32261.41797 26895.0625 23131.03516 29666.15234 38338.05078 49532.01172 58230.98438 52402.46484 46887.46094 35934.07031 113068.3906 19582.33398 48973.46875 24619.50781 25625.49414 34241.51172 42704.39453 17583.79102 52854.46484 51779.01172 FA (19:1) 58007.70313 58819.70313 50065.48438 184924.3125 66107.38281 74271.96094 68871.91406 60171.66016 49669.77734 65135.81641 97498.98438 78760.15625 132211.5938 85029.10938 136245.2969 98224.00781 261795.4844 41111.73828 95503.22656 67812.57031 68870.3125 80611.05469 83622.58594 67486.01563 115428.9922 95338.41406 FA (18:3) 2509364 2598039.5 1692692 8500074 2108485.75 2041559.875 2652694 2933783.5 2571969 1926519.625 3076389.25 3002667 6296506.5 3253910 6928067 3636917.5 7812166 1906005.125 2856534.75 2379840.25 2617976.75 2994727 2416868.5 2790387.25 4898105.5 3133474 PC(21:0(COOH)) 100382.6875 82501.75781 101886.9453 79781.1875 86481.05469 80039.10156 76849.39063 54921.83203 61860.56641 93861.78906 131128.5469 116261.5 140115.2188 120505.2188 114704.5391 127981.0078 152283.8281 74323.60156 77653.38281 66420.23438 99499.48438 88638.28906 75159.53906 60146.92188 99805.64063 79309.69531 PS(36:1) 810863 506166 321174.75 625288.0625 403303.6563 320476.625 322075.4063 324331.0938 792887.1875 582834.0625 596527.0625 500960.75 1065103.75 835199.1875 865444.625 345115.7813 1335872.375 507892.9688 673145.3125 416996 577122.5625 546103.6875 498123.625 193438.9063 574606.8125 380443.0313 FA methyl(14:0) 31510.28711 33126.83984 23604.43945 21630.86719 38033.95313 45682.80859 37441.49219 43334.91406 33830.48828 31997.66406 43010.07031 40331.60156 82028.55469 55148.59375 64046.79688 50852.67188 107062.7813 23870.2793 44348.41797 35799.03516 34585.18359 39017.54297 41698.11328 17344.30469 51650.25 43661.84766 FA (20:2) 144660.2656 174625.375 99497.6875 253319.8438 152267.4375 194479.7969 175548.2188 192085.1875 146561.5625 129486.4063 229796.5156 237408.9063 334018.2813 218147.6406 373191.625 244802.3594 699634.75 96583.03906 133926.875 183965.4063 154450.5938 165753.1563 152409.4844 251073.25 262471.6875 233828.1719 PE(O-20:0/0:0) 155536.2188 109799.1641 211687.4063 64613.34766 165229.3281 136322.6094 169814.5625 110168.6172 131940.4531 89043 364681.0625 173068.2656 164839.5156 185519.5469 138247.6719 298748.4375 161651.9063 110842.9297 115040.8281 110139.3047 93884.07813 112936.4609 102536.5547 78870.27344 192113.9219 89987.47656 FA methyl(16:1) 125856.1563 139535.2656 128612.2734 315567.625 124460.1094 129480.8125 179546.4844 195947.125 133033.4219 141381.5 234223.4688 173336.5625 310294.2813 189213.1094 332173.25 252051.2344 575545.5 94406.10938 167789.3125 121187.1328 129897.3359 164801.9375 142465.6406 146752.5 242496.875 187748.6406 [PE(O-18:2)] 1-octadecyl-sn-glycero-3-phosphoethanolamine 283829.1875 171340.9063 278898.2813 134941.4844 256875.5781 174267.3594 221303.7188 146561.5156 232184.3438 113709.125 546358.3125 275895.1563 272334.25 289487.5313 172487.6094 463280.3438 233217.4375 154543.9375 154806.1406 156204.5625 158671.5625 179842.2188 145054.7656 112477.2578 242034.2344 169771.7188 [PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) 3422506.25 2248907.25 3891325.75 741165.125 2936153.75 2017731.625 2732118.5 1699330.625 2128588 1943409.5 5278973 3482598.5 3446417.25 3718592 3094816.75 3693432.75 3484504 2000537.625 2714786.5 1677707.375 2006512 1163203 1504636.25 1260989.75 3215108.25 1931643.25 FA (16:2) 60681.73438 63902.59766 79136.82031 101522.8125 56347.44141 53522.73438 100823.9766 77881.46875 77967.04688 51367.23047 92540.49219 88371.5625 144402.7031 84247.64063 186645.3594 91650.00781 306808.3438 50430.22656 77528.60156 62234.07813 71424.15625 87041.89844 47990.12109 69022.76563 104764.6719 69357.24219 Patellamide A 0 0 36163.33594 0 21092.29688 18223.92188 47234.57813 155810.125 0 0 0 0 161269.3125 96489.20313 118851.2969 24065.5 117779.9844 0 0 0 59497.03125 35850.5625 20702.9043 35133.26953 16790.84961 148635.5156 GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/22:0) 124603.6797 51566.75781 71610.25 97516.35156 25457.42578 60423.04688 112373.1406 96542.38281 111946.8516 101335.2109 165239.4531 161928.125 97583.34375 143807.1094 130764.7813 134143.0469 74292.71875 58848.83594 49527.62109 98519.66406 47091.04688 69441.22656 54384.1875 103979.2578 61725.53516 72564.92188 PS(42:3) 92493.63281 83476.59375 52166.74219 52689.26953 80670.46094 128165.9141 57432.01953 99330.875 97739.3125 125939.7656 138768.9375 100264.9922 290775.1563 196902.1875 286058.1563 76534.75 471242.9063 81165.89063 102106.0703 114265.6406 126675.4688 87215.61719 136562.7188 132992.0156 92190.98438 118326.5938 PS(44:5) 37652.22656 24151.30273 13499.25391 16111.54688 17390.01563 21415.50977 19512.67969 21010.19922 36321.35547 40209.26953 26324.63672 30198.85547 62909.89453 59673.51953 101214.7109 13557.71289 98615.58594 19882.74023 20330.22656 32569.72266 22395.25195 24286.31836 36241.80469 40698.36719 22453.83203 30155.29883 [SP amino_trihydroxy_hydroxy_methyl_oxo(20:0)] 2S-amino-3R_4R_5S-trihydroxy-2-(hydroxymethyl)-14-oxo-eicos-6E-enoic acid 92916.9375 34593.44141 61481.24219 238315.9844 132192.8594 60729.29688 66625.30469 65117.46094 89261.90625 143104.9688 153952.7031 206727.7813 152856.8906 183773.2031 164366.5313 87705.66406 169082.6094 37892.625 56711.51563 17886.23438 86201.21875 93852.44531 128297.7734 69866.96875 161966.1875 68817.76563 PE(17:0) 77071.42188 55483.57813 89605.32813 62970.64453 79547.39844 55946.40234 58027.13281 50588.05469 57207.83203 69311.47656 232430.2656 111330.375 120172.9141 109399.0469 89932.00781 151856.0469 119563.9531 62780.02734 73895.38281 54352.78125 69476.30469 59589.12891 61955.80469 44781.88672 88392.97656 53906.73438 PS(40:2) 130545.9688 125634.2109 82396.60156 99592.375 99413.98438 121488.2266 100195.2188 101813.8359 134829.875 196221.7344 179133.9531 146815.2188 335922.3125 227161.5938 342585.0625 124169.9453 459808.4688 98596.59375 133544.9063 142989.4531 133010.6094 115063.0156 126007.8125 111152.2344 142350.0156 135870.4688 Tritriacontane-16_18-dione 0 14788.50195 3433.222656 14124.71387 18352.31055 23328.54688 7756.20166 8903.443359 0 12273.69336 24124.59375 22606.84766 31059.84766 32721.24219 22280.36914 26336.40234 100466.9297 3341.970703 26556.00586 13449.4043 12822.22266 10232.70996 19354.31836 8732.889648 17461.82617 39811.00391 PS(P-39:0) 108941.1797 86383.375 131022.6406 112183.8203 81384.4375 83441.5 120310.9922 99903.10938 117940.7031 112420.4453 263220.3125 206947.0469 234012.0938 181255.4844 226309.2656 189861.7969 242013.7813 91839.55469 99880.80469 94497.125 91157.67969 123710.2266 79567.97656 111826.3359 129618.8594 96291.02344 PS(22:0/0:0) 52019.71875 41039.78125 55274.21875 32562.77148 44173.86328 38551.38672 50401.73047 33990.52344 47403.01953 58009.33203 131502.9219 100860.7266 110713 74430.3125 108698.7422 94473.94531 95662.5625 34188.44531 56875.00391 41065.80859 46998.62109 30662.26172 39714.79688 39500.40234 64953.79688 48229.33984 FA methyl(18:0) 30745.01953 48254.49609 28112.23242 67625.20313 48695.07031 74858.3125 39491.21484 43836.99219 13024.48828 60642.20313 99218.625 82321.07813 149827.5625 116260.7734 108081.3359 104640.8906 250606.8125 34287.67578 68193.5625 39254.16797 55719.69922 48234.69141 70816.30469 53616.77734 73996.44531 59112.49609 PG(36:4) 54405.95703 41504.66797 46061.97656 27319.75586 78655.625 47314.64453 28334.47656 26920.17578 50000.83984 91028.79688 80878.03906 70770.47656 165808.3906 132183.2344 57553.60156 81105.57031 156627.2344 45978.87891 55618.9375 43906.4375 68157.82031 35301.45313 58632.76172 17364.76563 72149.15625 29201.09961 FA hydroxy(18:1) 44230.20703 98040.98438 42415.82031 272596.25 83758.83594 53600.16016 48108.21875 24958.30273 47269.18359 46653.45313 58783.42578 68867.48438 218379.5938 167461.2031 219416.2813 146288.4375 108975.625 44618.51563 65281.10156 28420.39063 75801.25 49296.99219 77336.70313 54422.20703 54438.53516 58799.50781 PS(38:1) 1088489 830404.375 764198.5 1034442.688 722613.8125 786084.4375 890841.0625 819557.125 1133484.875 1940735.375 1857625.5 1718831 2921797.5 2547409 2891864.25 1523245.125 3347443.5 926130.9375 1112409.875 815567.625 1177160.375 1097117.75 1147819.125 643622.5 1319426.375 838809.875 [PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine 168481.4375 93073.4375 221179.3281 176529.5781 108022.8516 106389.2734 134355.625 113339.1875 131545.2969 119219.8516 513493.8125 306037.25 219584.7188 289226.125 261405.5625 486569.0938 263019.7188 101146.4688 158878.0625 119660.7344 110941.5625 94533.25 114722.6406 124218.625 184508.3281 117332.1563 TG(12:0/12:0/12:0) 339980.5938 304962.2188 295820.8438 1401235.375 126166.6641 154270.8125 519249.8125 558304.75 385117.4688 193152.1875 105701.5625 123619.2891 1532369 858908.5 1758691.375 187282.8125 1874254.625 113154.9297 205137.6406 179954.4063 529195.4375 667149.0625 163599 222592.0156 290871.2813 594908.1875 FA (18:2) 12269885 12903583 10279835 47667292 14923661 16786790 17940400 21362596 12474281 17973366 27501212 31408286 61360720 36742608 69749528 36262040 103377152 8656312 14916240 13402799 16938584 20060962 15360297 19492896 31413364 24413016 [PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) 401330.9063 258598.1094 477554.5938 101703.2734 375681.5313 216973.0938 299991.5938 172826.4531 263037.9688 382314.5625 847330.25 636758.6875 635395.9375 683105.1875 505163.3438 632652.4375 508526.3438 246002.9531 341458.625 163001 265885.7188 143685.0469 188693.4063 91447.70313 368385.3438 215132.3125 PE(16:2) 53834.83594 23238.42578 40480.37109 24911.625 33149.88672 24885.92188 33843.76172 25090 48349.17188 23165.75391 139057.0313 63654.39453 56372.42969 57188.90625 51708.75781 113834.6563 52199.39453 25111.08203 28573.91211 25429.88477 24920.35938 22347.37109 24899.10352 18665.66211 35432.26563 27878.49609 bafilomycin A1 26879.17383 18620.43945 14581.75977 22800.77734 19318.15234 20846.84766 18126.82617 20684.31445 27208.67969 24479.05078 56060.50781 49142.65234 81982.89844 66790.53125 67113.66406 72102.39844 141264.125 28941.16602 50022.68359 25666.91992 29168.94922 20697.23438 21624.99219 6867.375977 27312.90625 17849.87305 [FA (34:2)] 1-octadecyl-11E-hexadecenoate 19849.19727 58040.82422 15607.53711 77310.74219 56573.11719 82044.35156 29596.0957 32558.23242 25514.82813 58279.13672 123474.6563 100742.1016 204131.375 171868.7188 140485.9375 137324.6875 621793.25 25323.77539 113533.6016 53487.60547 70949.00781 38597.52734 85256.3125 38223.26563 74007.20313 133069.375 Arachidyl palmitoleate 4391.839844 12111.74707 0 17016.33203 13354.51855 20347.75 8895.150391 4374.59668 0 16077.2627 37766.33984 40203.04297 52210.38672 54626.11328 38003.33203 34504.64844 190734.9531 7706.287109 28013.74219 14995.37305 19093.81055 8680.146484 26247.32813 11365.18652 16537.35156 53536.21094 PI(35:2) 62113.92578 56269.27344 25479.78906 69311.24219 31958.92383 32744.95508 28333.54297 32088.98047 58745.23047 111094.0078 109061.1641 96952.28906 184021 135791.8906 184956.7031 72647.1875 237048.4844 45089.94141 64555.92969 45595.48828 59194.01172 50493.88672 53357.90625 16428.31836 76792.26563 38393.82813 FA oxo(14:2) cyclopentanebutanoic acid 44620.98828 36201.79297 58051.17969 42636.9375 27580.77539 27758.03711 67366.6875 39734.71094 39100.8125 55744.63672 181206.2969 83545.0625 126979.0469 55389.75 104448.4688 130225.4609 143660.9531 26768.11914 52428.65234 31962.92969 42633.5 44943.48828 28137.89844 30064.6582 61046.94531 23658.23242 [ST methy] 24-methylene-cholest-5-en-3beta-ol-3-sulfate 104794.3906 112517.5859 64628.71094 74383.28906 72847.83594 86811.86719 52320.27344 62997.37891 113974.0859 162300.6875 190782.1406 189820.9219 385926.6563 321095.375 190667.3281 343233.7188 821224.1875 98954.22656 182617.2813 107260.7031 103669.125 79445.3125 78675.52344 47732.80859 173627.8438 75332.61719 N-(2-hydroxy-tetracosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine 24749.49219 34619.32422 26221.02539 98981.52344 23489.31055 37546.48828 47857.46094 52711.08984 27091.44922 42881.78906 66877.0625 73417.83594 131679.3594 103615.2031 148709.4688 88577.89063 363149.375 20078.30469 38087.57422 28939.33203 53458.66797 39329.76172 38537.76172 47696.94141 44061.31641 48082.69922 PS(P-39:1) 36676.67969 21270.20313 35470.89453 36733.8125 17550.36328 25867.82227 37904.12891 20713.31836 28910.25586 61167.58594 110507.0156 71417.21875 73209.58594 72587.03906 91153.03906 116483.1016 70687.72656 22233.94531 23089.125 26947.98633 20461.94727 26069.5625 17659.29297 33755.90234 33262.19922 30680.1543 [FA oxo(16:2)] cyclopentanehexanoic acid 19935.92188 22117.67383 15601.6748 37041.98828 23854.91992 18423.4043 17315.62695 12731.10254 14769.96777 29079.62695 31301.91992 35338.89063 113137.5859 91956.59375 107088.8672 68184.03125 71965.67969 13393.74512 14125.57715 16065.74414 27452.92773 21873.0293 23717.26563 19548.04883 31249.66992 22271.27344 Stylisterol B 12000.98633 14256.64063 18393.36523 20667.81445 12343.69922 15422.43652 19738.71289 12471.89551 16130.29883 19447.6582 51578.54688 29711.83203 59661.35547 45889.79688 101648.9375 72539.58594 112502.5391 10655.66113 18216.24609 16293.45801 18744.98828 22046.14063 11377.97461 17378.56055 29125.21484 25006.92188 PS(O-37:1) 119615.1953 57947.95313 119614.8359 123625.5625 54189.32813 81098.99219 108923.8672 73817.07031 108321.1406 216344.1719 449536.6563 283401.125 362899.0313 322351.6563 401494.875 469660.9375 325396.7813 68927.36719 96160.07031 75611.19531 88218.09375 119578.6172 105184.0703 95342.66406 124980.8125 82939.25 [ST hydroxy(2:0)] (5Z_7E)-(1R_2R_3R)-2-(5-hydroxypentoxy)-9_10-seco-5_7_10(19)-cholestatriene-1_3-diol 11443.1543 16452.89258 13165.79688 18121.125 13649.61816 12250.4707 14005.55078 11668.86133 12376.96777 28634.22266 54003.60547 34016.19531 75480.17188 60911.98828 90041.44531 69017.19531 110306.2891 8800.206055 16832.36328 14648.7373 17908.30664 20416.84766 14442.30566 15659.39746 18101.4043 18501.14453 PI(18:2) 368945.0625 244670.4688 452925.5313 195969.5781 262567.5313 160456.7188 318580.7188 186765.5313 253164.3906 563353.1875 1540470.625 1050670.5 1060782.375 952378.3125 828587.5625 1228536.25 852220.1875 275030.4063 307514.8125 137247.9844 294974.8125 199140.9688 195144.2344 120221.6641 475723.6875 218070.9375 Sapelin A 16527.00195 14549.59863 10849.62109 17548.69531 10604.91211 8765.163086 17130.15234 11096.76465 19929.19336 27209.05664 52766.77344 34755.19922 105453.2578 54811.89063 127840.4844 84539.78906 150117.4844 7872.337402 18918.5332 13348.58008 22325.97656 15823.59082 8180.637207 21159.84766 30809.16406 17021.58398 ginsenoside Rh2 277523.625 255221.1563 189243.7656 471449.4688 211155.875 178574.3594 216719.375 281661 254023.5469 971031.9375 1720555.875 1342671.625 1549818.625 1017198.875 753951.1875 1633456.25 1949876.875 272683.2188 279686.4375 194598.8438 364701.1563 236008.3125 260902.7656 160152.0156 425730.9375 286588.5938 PS(40:1) 308990.0313 215451.9688 189477.9531 265578.6875 177409.1563 237766.8125 214762.3438 272510.9688 292071.1563 1618690.5 1587259.125 1227484 2829327.5 2034637.75 2345067 1212709.875 3003139.25 274349.6563 313294.6875 220686.7656 339599.5 356637.2813 317798.5625 317590.3125 313984.3438 262692.2188 FA hydroxy (18:2) 168275.2188 305220.8125 185795.2188 1324347.75 465063.1563 258744.4688 258518.375 173623.7813 154323.1719 817227.9375 721565.875 1430553.125 3469516 4113052.25 2469677.75 2535243.75 1865077.5 170092.8125 227425.4531 164292.9531 492616.375 341663.125 343956.2813 311529.7813 459201.7188 313666.375 soyasapogenol B-22-O-beta-glucoside 75981.03125 72156.96875 53820.32813 104817.3828 52841.375 58034.65234 78259.51563 81590.4375 79615.02344 493661.3125 1057228.5 770482.5625 1072670.75 617479.75 449052.0625 1173147.5 1252986.375 56760.41797 75164.65625 53963.80078 86372.10156 85324.72656 79640.15625 70977.66406 124420.4375 58414.57422 3alpha_7alpha_12alpha-Trihydroxy-5beta-cholestan-26-al 4361.279785 11671.78223 4674.152832 5664.32373 4609.959473 7488.356934 4595.050293 7894.414063 4947.927246 83385.77344 72629.54688 122045.5781 219244.2656 142636.7344 55648.61719 91336.63281 78824.60938 3972.432373 4585.845703 8121.808105 5995.280762 3520.141357 4794.887207 3422.803223 5956.398438 8779.808594 Teasterone 0 0 0 0 0 0 0 0 0 183199.3906 192678.9375 183059.4375 260545.625 259278.4219 84447.79688 226890.5625 124168.8438 0 0 0 0 0 0 0 0 0 6-Deoxocastasterone 0 0 0 0 0 0 0 0 0 1906922.5 1922687.375 1893629.875 2350455.5 2719179.75 817529.625 1866611.75 977688.3125 0 0 0 0 0 0 0 0 0 MG(0:0/22:4(7Z_10Z_13Z_16Z)/0:0) 0 0 0 0 0 0 0 0 0 119540.5781 69716.91406 117656.5859 233464.8281 208135.4375 67442.14063 117488.1094 78191.79688 0 0 0 0 0 0 0 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name metabolite name retention index quantified m/z PubChem ID KEGG ID CDP-DG(36:2) CDP-DG(36:2) 12.30715509 1004.538683 53477925 0 4Z_7Z_10Z_13Z_16Z_19Z_22Z_25Z-octacosaoctaenoic acid 4Z_7Z_10Z_13Z_16Z_19Z_22Z_25Z-octacosaoctaenoic acid 14.51574341 407.2958116 52921798 0 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5'- diphosphate 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5'- diphosphate 11.83497253 978.5224495 5282298 C13892 beta-Tocotrienol beta-Tocotrienol 16.37935626 409.3115646 5282348 C14154 [GL (18:0/20:4)] 1-(9Z-octadecenoyl)-2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-3-O-alpha-D-glucuronyl-sn-glycerol [GL (18:0/20:4)] 1-(9Z-octadecenoyl)-2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-3-O-alpha-D-glucuronyl-sn-glycerol 13.99378001 815.5327589 15061530 0 FA hydroxy(18:0) FA hydroxy(18:0) 7.352677917 299.2593038 5311263 0 N-(octadecanoyl)-1-beta-glucosyl-4E_6E-pentadecasphingadienine N-(octadecanoyl)-1-beta-glucosyl-4E_6E-pentadecasphingadienine 20.56872976 682.5269561 0 [PA(20:4(5Z_8Z_11Z_14Z)/0:0)] 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphate [PA(20:4(5Z_8Z_11Z_14Z)/0:0)] 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphate 6.030950518 457.2363553 52925589 0 N-(2-hydroxytricosanoyl)-phytosphingosine N-(2-hydroxytricosanoyl)-phytosphingosine 20.81089793 668.6208616 42607498 0 FA dimethyl(20:3) FA dimethyl(20:3) 12.200149 333.280442 52925622 0 N-(2-hydroxypentacosanoyl)-phytosphingosine N-(2-hydroxypentacosanoyl)-phytosphingosine 21.2433541 696.6522657 52925587 0 16-feruloyloxypalmitate 16-feruloyloxypalmitate 8.742050457 447.2758945 52925406 0 GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/20:0) GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/20:0) 13.97995806 1426.843026 52926294 0 PA(18:2(9Z_12Z)/0:0) PA(18:2(9Z_12Z)/0:0) 5.906019888 433.2361708 C00416 FA hydroxy(22:0) FA hydroxy(22:0) 10.16677342 355.3221605 8215 0 2-heptaprenyl-3-methyl-6-methoxy-1_4-benzoquinol 2-heptaprenyl-3-methyl-6-methoxy-1_4-benzoquinol 20.68916675 631.508412 311 0 GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d34:1)) GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d34:1)) 11.71193654 1370.781275 0 Ganglioside GD3 (d18:0/14:0) Ganglioside GD3 (d18:0/14:0) 11.71097356 707.8905814 10469 0 FA hydroxy(20:1) FA hydroxy(20:1) 7.33374642 325.2750424 52925710 0 [ST hydroxy(4:0)] 1beta_3alpha_7alpha_12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid [ST hydroxy(4:0)] 1beta_3alpha_7alpha_12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid 8.730938655 423.2759513 52925446 0 1_2-di-S-octyl-1_2-dimercapto-3-propanol 1_2-di-S-octyl-1_2-dimercapto-3-propanol 7.28343811 347.2442158 985 0 [PS(20:4)] 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine [PS(20:4)] 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine 5.367669382 544.2681786 135369651 0 indole-3-acetyl-methionine indole-3-acetyl-methionine 10.85084371 305.0968591 0 FA oxo(18:0) FA oxo(18:0) 5.877366666 297.2434091 42607475 0 Avermectin B2b monosaccharide Avermectin B2b monosaccharide 10.4316792 731.4009913 52924451 C11957 Ganglioside GM3 (d18:0/16:0) Ganglioside GM3 (d18:0/16:0) 15.49278223 1153.72345 444899 0 Aeruginopeptin 917S-C Aeruginopeptin 917S-C 14.51913606 1021.524079 C15750 Cyanidin 3-(6-acetylgalactoside) Cyanidin 3-(6-acetylgalactoside) 8.843901777 490.1118082 5283005 0 FA hydroxy(18:2) FA hydroxy(18:2) 5.519118933 311.2228394 0 PS(P-18:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z)) PS(P-18:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z)) 18.31639792 818.5325613 23724565 0 [PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine [PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 6.002859868 522.2841206 0 1-18:0-2-18:3-monogalactosyldiacylglycerol 1-18:0-2-18:3-monogalactosyldiacylglycerol 10.20337958 779.5690372 0 [FA (22:4)] 7Z_10Z_13Z_16Z-docosatetraenoic acid [FA (22:4)] 7Z_10Z_13Z_16Z-docosatetraenoic acid 11.32061303 331.2648305 C16527 3-O-(6'-O-(11Z_14Z_17Z-eicosatrienoyl)-beta-D-glucopyranosyl)-campest-5-en-3beta-ol 3-O-(6'-O-(11Z_14Z_17Z-eicosatrienoyl)-beta-D-glucopyranosyl)-campest-5-en-3beta-ol 19.86914515 849.6619017 5282827 0 PE(P-20:0/22:4(7Z_10Z_13Z_16Z)) PE(P-20:0/22:4(7Z_10Z_13Z_16Z)) 19.94574729 806.607784 52925809 0 Thiocoraline Thiocoraline 15.60523547 1155.232678 5497181 C15727 [PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) [PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 5.824857667 483.2734243 0 3-O-(6'-O-(9Z_12Z_15Z-octadecatrienoyl)-beta-D-glucopyranosyl)-campest-5-en-3beta-ol 3-O-(6'-O-(9Z_12Z_15Z-octadecatrienoyl)-beta-D-glucopyranosyl)-campest-5-en-3beta-ol 18.46015054 821.6313047 123409 0 FA hydroxy(20:4) FA hydroxy(20:4) 6.716718038 319.2278833 42607483 0 FA hydroxy(18:1)] FA hydroxy(18:1)] 4.053351813 313.2387279 52926296 0 FA hydroxy(20:3) FA hydroxy(20:3) 7.026278522 321.243649 0 [PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) [PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 7.276492182 511.3046515 5460164 0 PC(21:0(CHO)) PC(21:0(CHO)) 7.711318789 592.3627757 9543626 0 [PI(20:4)] 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-myo-inositol) [PI(20:4)] 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-myo-inositol) 5.28851233 619.2890393 5281120 0 (4Z_7Z_10Z_13Z_16Z_19Z)-Docosahexaenoic acid ethyl ester (4Z_7Z_10Z_13Z_16Z_19Z)-Docosahexaenoic acid ethyl ester 11.19333385 355.2649166 42607474 C16185 CGS 7181 CGS 7181 10.01387399 405.1060628 10465 C13836 PC(21:0(COOH)) PC(21:0(COOH)) 6.291717152 608.3569205 52926280 0 FA methyl(14:0) FA methyl(14:0) 9.690812147 241.2175918 656759 C16665 FA methyl(16:1) FA methyl(16:1) 10.20416939 267.2331627 5282766 0 [PE(O-18:2)] 1-octadecyl-sn-glycero-3-phosphoethanolamine [PE(O-18:2)] 1-octadecyl-sn-glycero-3-phosphoethanolamine 8.96257951 466.3299501 5282815 0 [PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) [PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) 6.891393567 599.3204999 46907872 0 Patellamide A Patellamide A 19.7005872 741.321476 59720717 C15734 GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/22:0) GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/22:0) 15.38970813 1454.873 21672 0 [SP amino_trihydroxy_hydroxy_methyl_oxo(20:0)] 2S-amino-3R_4R_5S-trihydroxy-2-(hydroxymethyl)-14-oxo-eicos-6E-enoic acid [SP amino_trihydroxy_hydroxy_methyl_oxo(20:0)] 2S-amino-3R_4R_5S-trihydroxy-2-(hydroxymethyl)-14-oxo-eicos-6E-enoic acid 8.550273083 416.2661979 5312300 0 Tritriacontane-16_18-dione Tritriacontane-16_18-dione 21.17148865 491.4837993 5282787 C08394 FA methyl(18:0) FA methyl(18:0) 12.5906509 297.2802479 52925665 0 FA hydroxy(18:1) FA hydroxy(18:1) 4.695413043 293.2124284 11750429 0 [PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) [PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) 5.416912399 571.2890544 154874 0 bafilomycin A1 bafilomycin A1 5.740708612 621.4006731 52926293 0 [FA (34:2)] 1-octadecyl-11E-hexadecenoate [FA (34:2)] 1-octadecyl-11E-hexadecenoate 21.33625816 505.4996663 65037 0 Arachidyl palmitoleate Arachidyl palmitoleate 21.66626433 533.531185 52926484 0 FA oxo(14:2) cyclopentanebutanoic acid FA oxo(14:2) cyclopentanebutanoic acid 4.402708573 239.1653638 52925309 0 [ST methy] 24-methylene-cholest-5-en-3beta-ol-3-sulfate [ST methy] 24-methylene-cholest-5-en-3beta-ol-3-sulfate 8.623290521 477.304609 42607469 0 N-(2-hydroxy-tetracosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine N-(2-hydroxy-tetracosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine 10.06016068 731.5698509 154573334 0 [FA oxo(16:2)] cyclopentanehexanoic acid [FA oxo(16:2)] cyclopentanehexanoic acid 4.517020272 267.196678 5282793 0 [ST hydroxy(2:0)] (5Z_7E)-(1R_2R_3R)-2-(5-hydroxypentoxy)-9_10-seco-5_7_10(19)-cholestatriene-1_3-diol [ST hydroxy(2:0)] (5Z_7E)-(1R_2R_3R)-2-(5-hydroxypentoxy)-9_10-seco-5_7_10(19)-cholestatriene-1_3-diol 11.82283063 501.395559 86289572 0 ginsenoside Rh2 ginsenoside Rh2 10.76006346 621.437892 5365040 0 FA hydroxy (18:2) FA hydroxy (18:2) 5.610710818 295.2278023 16061081 0 soyasapogenol B-22-O-beta-glucoside soyasapogenol B-22-O-beta-glucoside 10.21417838 619.4226912 24779661 0 3alpha_7alpha_12alpha-Trihydroxy-5beta-cholestan-26-al 3alpha_7alpha_12alpha-Trihydroxy-5beta-cholestan-26-al 9.311200009 433.3331123 C01301 MG(0:0/22:4(7Z_10Z_13Z_16Z)/0:0) MG(0:0/22:4(7Z_10Z_13Z_16Z)/0:0) 7.855300043 405.3015699 5282352 0 [FA oxo(14:0)] 3-oxo-tetradecanoic acid 3-Oxotetradecanoic acid 5.404792318 241.1808917 52925588 0 6-Deoxocastasterone 6-Deoxocastasterone 14.63386152 449.3641272 16061079 C15802 FA (20:0) Arachidic acid 13.44066662 311.2959271 5282755 C06425 Docosanoic acid Behenic acid 15.1183464 339.3268851 46891805 C08281 Bilirubin Bilirubin 6.896920556 583.2566351 5282835 C00486 Cer(t18:0/h24:0) Cer 18:0;O3/24:0;O 21.0431451 682.6364087 5280352 0 [FA (26:0)] hexacosanoic acid Cerotic acid 18.82895497 395.3900493 52924468 0 Cholesterolsulfate Cholesterol sulfate 8.881566695 465.304928 53481133 0 Citrate Citric acid 10.72602294 191.0198062 52926263 C00158 Decoside Decoside 7.961130608 545.2761226 441854 C08860 Docosahexaenoicacid Docosahexaenoic acid 10.16407197 327.2330482 19782904 C06429 FA (22:5) Docosapentaenoic acid 10.61388274 329.2490994 5283145 0 FA (22:1) Docosenoic acid 13.73787572 337.3116377 10883396 C08316 FA (20:2) Eicosadienoic acid 11.50037028 307.264742 0 FA (20:4) Eicosatetraenoic acid 10.24961485 303.2330074 5283893 C00219 FA (20:3) Eicosatrienoic acid 10.76858054 305.2489398 52925023 0 N-(octadecanoyl)-1-beta-glucosyl-pentadecasphing-4-enine GlcCer 15:1;O2/18:0 20.86832784 684.5426111 52925808 0 FA (20:1) Heneicosenoic acid 12.29331126 309.2803376 52926271 0 FA (16:2) Hexadecadienoic acid 8.791059072 251.2018938 9547087 0 FA (16:3) Hexadecatrienoic acid 8.110504856 249.1861244 5282772 0 Homophytanicacid Homophytanic acid 14.25888834 325.3114378 52927153 0 Dodecanoic acid Lauric acid 7.305750886 199.1703343 52925420 C02679 FA hydroxy(12:0) dodecanoic acid Lauric acid 4.347781083 215.1652021 5281 0 Tetracosanoic acid Lignoceric acid 16.94112609 367.3583463 9547086 C08320 FA (18:2) Linoleic acid 10.09350492 279.2327694 52925431 0 LysoPE(20:1) LPE 20:1 8.771115145 506.3255897 5282958 0 LysoPE(20:5) LPE 20:5 5.911731421 498.2626126 52925407 0 LysoPE(22:5) LPE 22:5 7.296132242 526.2945097 44256714 0 [PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine LPE P-16:0 or LPE O-16:1 7.715933408 436.2839808 52925149 0 FA (17:0) Margaric acid 11.11782754 269.2489695 445638 0 Melampodinin Melampodinin 10.42066079 521.1665075 C09501 MG(0:0/16:0/0:0) MG 0:0/16:0/0:0 16.37935702 329.2699073 5282809 0 [FA (24:0)] 15Z-tetracosenoic acid Nervonic acid 15.34961669 365.3425233 52931127 C08323 FA (19:1) Nonadecenoic acid 11.65384192 295.2645958 52925153 0 FA (18:4) Octadecatetraenoic acid 8.60913168 275.2020107 9547099 0 FA (18:3) Octadecatrienoic acid 9.297655425 277.2175215 52925310 0 FA (18:1) Oleic acid 10.94931619 281.2481903 0 PA(18:1(9Z)/0:0) PA 18:1(9Z)/0:0* 6.763767759 435.2518363 C00416 Hexadecanoic acid Palmitic acid 10.44360404 255.2331081 9547096 C00249 FA(16:1) Palmitoleic acid 9.557486869 253.2175876 9546824 C08362 PE(16:2) PE 16:2* 7.49657473 438.2993794 52926233 0 PE(17:0) PE 17:0 7.600258561 466.294526 42607467 0 PE(30:0) PE 30:0 14.64121377 662.477269 0 PE(30:1) PE 30:1 13.76694566 660.4614051 0 PE(32:1) PE 32:1 14.95904252 688.4919839 52925810 0 PE(34:0) PE 34:0 17.18639231 718.5404831 52925125 0 PE(36:0) PE 36:0 18.68207332 746.570711 447078 0 PE(36:5) PE 36:5 14.96452791 736.493558 5282951 0 PE(38:1) PE 38:1 19.23131727 772.5865085 0 PE(38:2) PE 38:2 18.53247864 770.5715693 52925469 0 PE(40:4) PE 40:4 18.4267313 794.571405 0 PE(40:5) PE 40:5 18.0374301 792.5556013 0 PE(40:8) PE 40:8 15.53022691 786.5086528 0 PE(O-20:0/0:0) PE O-20:0/0:0* 10.32754362 494.3620944 543855 0 PE(P-20:0) PE P-20:0 or PE O-20:1 10.50323975 492.3462557 23557187 0 PE(O-42:4) PE P-42:3 or PE O-42:4 20.57674725 808.6228455 0 PE(P-42:6) PE P-42:6 or PE O-42:7 19.65321491 802.5765225 88113319 0 PG(17:0/14:1) PG 17:0/14:1* 12.85658002 722.4982754 0 PG(32:0) PG 32:0 13.67782419 721.503105 52926722 0 PG(34:0) PG 34:0 14.88597261 749.5337736 52925349 0 PG(34:1) PG 34:1 14.15361348 747.5192468 52925386 0 PG(36:1) PG 36:1 15.50282261 775.5496668 69417 0 PG(36:2) PG 36:2 14.76326609 773.5339768 52925586 0 PG(36:3) PG 36:3 14.02175716 771.5173132 0 PG(36:4) PG 36:4 13.73490804 769.5023623 52925864 0 PI(18:2) PI 18:2 5.128024177 595.2892375 5385089 0 PI(32:1) PI 32:1 12.64275959 807.5035856 52926154 0 PI(34:0) PI 34:0 14.58788547 837.5494306 9546835 0 PI(34:1) PI 34:1 13.7119032 835.5344217 52925585 0 PI(34:2) PI 34:2 13.59211452 833.5185375 65076 0 PI(34:3) PI 34:3 12.52072527 831.5037414 193484 0 PI(35:2) PI 35:2 13.63638283 847.5343821 5312856 0 [PI(36:0) PI 36:0 14.72941294 878.5765045 52925951 0 PI(36:1) PI 36:1 14.92620108 863.5647341 69417 0 PI(36:2) PI 36:2 14.27121461 861.5495221 11953972 0 PI(36:3) PI 36:3 13.55618431 859.5342495 16061066 0 PI(36:4) PI 36:4 13.30175207 857.5186141 91746197 0 PI(37:4) PI 37:4 13.8882592 871.5339849 52925636 0 PI(38:3) PI 38:3 14.80906395 887.5640885 52931291 0 PI(38:4) PI 38:4 14.52915482 885.54931 52924436 0 PI(38:5) PI 38:5 13.752387 883.5343573 52926069 0 PI(40:4) PI 40:4 15.52856015 913.5812063 0 PI(40:7) PI 40:7 13.70176621 907.5341322 52925146 0 PI(P-33:1) PI P-33:1 or PI O-33:2 13.9423522 805.5244595 53480943 0 Proscillaridin A Proscillaridin A 9.654053345 529.2815543 52931497 0 PS(18:0) PS 18:0 7.014004287 524.2994267 52925448 0 PS(19:0/0:0) PS 19:0/0:0* 5.717131715 538.3152625 3080668 0 PS(20:0/0:0) PS 20:0/0:0* 6.450056334 552.3309596 5282848 0 PS(21:0/0:0) PS 21:0/0:0* 7.212495619 566.3466595 52925243 0 PS(22:0/0:0) PS 22:0/0:0* 7.893327414 580.3618363 52931292 0 PS(33:0) PS 33:0 13.41512103 748.5139498 42607396 0 PS(35:0) PS 35:0 14.6168334 776.5447101 25200791 0 PS(35:1) PS 35:1 13.82773602 774.5293079 0 PS(36:0) PS 36:0 15.27502635 790.5610794 52931289 0 PS(36:1) PS 36:1 14.46160862 788.5447972 9831416 0 PS(36:3) PS 36:3 13.6774268 784.5143966 11953936 0 PS(36:4) PS 36:4 13.39580102 782.4979797 0 PS(37:0) PS 37:0 15.96251215 804.5760842 5312332 0 PS(37:1) PS 37:1 15.12076012 802.5602789 5283560 0 PS(37:2) PS 37:2 14.39214783 800.5447633 0 PS(37:3) PS 37:3 14.05893164 798.5292847 52927224 0 PS(38:0) PS 38:0 16.72814354 818.5918621 454064 0 PS(38:1) PS 38:1 15.81547464 816.5758556 38357082 0 PS(38:2) PS 38:2 14.96179462 814.5601403 52925139 0 PS(38:3) PS 38:3 14.79257307 812.5453074 5282738 0 PS(38:5) PS 38:5 13.7858226 808.5124474 5469581 0 PS(38:6) PS 38:6 13.37733108 806.4975657 52926580 0 PS(39:0) PS 39:0 17.4463636 832.6073889 0 PS(39:1) PS 39:1 16.58161858 830.5917646 445757 0 PS(39:2) PS 39:2 15.70852897 828.5753424 50990923 0 PS(39:3) PS 39:3 15.43985382 826.560187 52926126 0 PS(39:4) PS 39:4 14.66345156 824.544662 52925625 0 PS(39:5) PS 39:5 13.99877889 822.5296281 0 PS(40:0) PS 40:0 18.24037108 846.6231253 139057051 0 PS(40:1) PS 40:1 17.34654285 844.6067565 0 PS(40:2) PS 40:2 16.36728755 842.5914981 0 PS(40:3) PS 40:3 16.16311718 840.5755473 52926103 0 PS(40:5) PS 40:5 14.7523048 836.544631 11197 0 PS(41:0) PS 41:0 18.86200516 860.6390607 52925354 0 PS(41:1) PS 41:1 17.96530105 858.6228529 0 PS(41:2) PS 41:2 17.22044625 856.6060066 52925618 0 PS(41:3) PS 41:3 16.91995699 854.5911379 52925357 0 PS(41:4) PS 41:4 16.01646994 852.5754102 52925385 0 PS(41:6) PS 41:6 14.59028123 848.5445126 0 PS(42:2) PS 42:2 18.05956998 870.6229343 42607484 0 PS(42:3) PS 42:3 17.71645705 868.6077651 5282805 0 PS(43:0) PS 43:0 20.15595238 888.6699349 3893 0 PS(43:2) PS 43:2 18.73497301 884.6388883 52927141 0 PS(43:21) PS 43:21* 19.67721499 886.6543208 5282767 0 PS(43:6) PS 43:6 15.83101882 876.5753507 97783 0 PS(44:5) PS 44:5 17.63230656 892.6056609 52925152 0 PS(O-16:0/21:0) PS O-16:0/21:0 16.87497857 790.5966084 52925124 0 PS(O-39:0) PS O-39:0 19.5266236 818.628635 10467 0 PS(O-41:0) PS O-41:0 19.89589253 846.6599122 25203454 0 PS(P-20:0/21:0) PS P-20:0/21:0 or PS O-20:1/21:0 19.69293554 844.6439916 52925580 0 PS(O-37:1) PS P-37:0 or PS O-37:1 16.11999459 788.581842 42607466 0 PS(P-39:0) PS P-39:0 or PS O-39:1 17.64433883 816.6134874 157454 0 PS(P-39:1) PS P-39:1 or PS O-39:2 16.68055157 814.5951916 10851 0 Retinyl ester Retinyl ester 9.426782804 301.2176908 485475 C02075 Sapelin A Sapelin A 10.961821 473.3642684 42607326 C08634 [SP] Sphing-4-enine-1-phosphate Sphingosine 1-phosphate 5.957654859 378.2415444 53481191 C06124 Octadecanoic acid Stearic acid 11.88564593 283.264166 52924465 C01530 Stylisterol B Stylisterol B 10.04880748 445.3330998 C14158 Teasterone Teasterone 13.43345509 447.3487796 52926256 C15791 FA (14:1) tetradecenoic acid Tetradecenoic acid 8.152603262 225.1860913 445580 0 TG(12:0/12:0/12:0) TG 12:0/12:0/12:0 10.20698498 637.5419113 86583376 C00422 FA (23:1) Tricosenoic acid 14.51454041 351.3270207 0 METABOLITES_END #END