#METABOLOMICS WORKBENCH jwalejko_20181130_110228 DATATRACK_ID:1578 STUDY_ID:ST001106 ANALYSIS_ID:AN001800 PROJECT_ID:PR000740 VERSION 1 CREATED_ON December 4, 2018, 7:55 pm #PROJECT PR:PROJECT_TITLE Chronic Maternal Cortisol Excess During Late Gestation Leads to Metabolic PR:PROJECT_TITLE Alterations in the Newborn Heart PR:PROJECT_SUMMARY Our laboratory has previously shown in an ovine model of pregnancy that abnormal PR:PROJECT_SUMMARY elevations in maternal cortisol during late gestation lead to increased fetal PR:PROJECT_SUMMARY cardiac arrhythmias and mortality during peripartum. Furthermore, transcriptomic PR:PROJECT_SUMMARY analysis of the fetal heart suggested alterations in TCA cycle intermediates and PR:PROJECT_SUMMARY lipid metabolites in animals exposed to excess cortisol in utero. Therefore, we PR:PROJECT_SUMMARY utilized a sheep model of pregnancy to determine how chronic increases in PR:PROJECT_SUMMARY maternal cortisol alter maternal and fetal serum prior to birth and neonatal PR:PROJECT_SUMMARY cardiac metabolites and lipids at term. Ewes were either infused with 1 PR:PROJECT_SUMMARY mg/kg/day of cortisol starting at gestational day 115 (n=9), or untreated (n=6). PR:PROJECT_SUMMARY Serum was collected from the mother and fetus (125 d-birth), and hearts were PR:PROJECT_SUMMARY collected following birth. Proton nuclear magnetic resonance (1H-NMR) PR:PROJECT_SUMMARY spectroscopy was conducted to measure metabolic profiles of newborn heart PR:PROJECT_SUMMARY specimens as well as fetal and maternal serum specimens. Mass spectrometry was PR:PROJECT_SUMMARY conducted to measure lipid profiles of newborn heart specimens. We observed PR:PROJECT_SUMMARY alterations in amino acid and TCA cycle metabolism as well as lipid and PR:PROJECT_SUMMARY glycerophospholipid metabolism in newborn hearts after excess maternal cortisol PR:PROJECT_SUMMARY in late gestation. In addition, we observed alterations in amino acid and TCA PR:PROJECT_SUMMARY cycle metabolites in fetal but not in maternal serum during late gestation. PR:PROJECT_SUMMARY These results suggest that fetal exposure to excess maternal cortisol alters PR:PROJECT_SUMMARY placental and fetal metabolism prior to birth and limits normal cardiac PR:PROJECT_SUMMARY metabolic maturation, which may contribute to increased risk of peripartum PR:PROJECT_SUMMARY cardiac arrhythmias observed in these animals, or later life cardiomyopathies. PR:INSTITUTE University of Florida PR:DEPARTMENT Pharmacodynamics PR:LAST_NAME Keller-Wood PR:FIRST_NAME Maureen PR:ADDRESS 1345 SW Archer Rd, PO 100487, Gainesville, FL, 32610 PR:EMAIL kellerwd@cop.ufl.edu PR:PHONE NA #STUDY ST:STUDY_TITLE Lipidomics of Newborn Heart Tissue Exposed to Excess Maternal Cortisol in Late ST:STUDY_TITLE Gestation (part-1) ST:STUDY_SUMMARY Cardiac tissue from newborn hearts from animals exposed to excess maternal ST:STUDY_SUMMARY cortisol in late gestation and untreated was compared via MS lipidomic analysis ST:INSTITUTE University of Florida ST:DEPARTMENT Biochemsitry & Molecular Biology ST:LAST_NAME Walejko ST:FIRST_NAME Jacquelyn ST:ADDRESS R3-226 Academic Research Building, Department of Biochemistry and Molecular ST:ADDRESS Biology, PO Box 100245, Gainesville, FL 32610-0245 ST:EMAIL jwalejko@ufl.edu ST:PHONE na ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 12 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Ovis aries SU:TAXONOMY_ID 9940 SU:AGE_OR_AGE_RANGE within 6 hours of birth #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS 802 802 Treatment:Cortisol Batch=2 SUBJECT_SAMPLE_FACTORS 734 734 Treatment:Control Batch=1 SUBJECT_SAMPLE_FACTORS 770 770 Treatment:Control Batch=1 SUBJECT_SAMPLE_FACTORS 729 729 Treatment:Cortisol Batch=1 SUBJECT_SAMPLE_FACTORS 706 706 Treatment:Cortisol Batch=1 SUBJECT_SAMPLE_FACTORS 767 767 Treatment:Control Batch=2 SUBJECT_SAMPLE_FACTORS 717 717 Treatment:Cortisol Batch=1 SUBJECT_SAMPLE_FACTORS 753 753 Treatment:Control Batch=2 SUBJECT_SAMPLE_FACTORS 1610-16 1610-16 Treatment:Control Batch=3 SUBJECT_SAMPLE_FACTORS 3843 3843 Treatment:Cortisol Batch=1 SUBJECT_SAMPLE_FACTORS 1577 1577 Treatment:Control Batch=3 SUBJECT_SAMPLE_FACTORS 1576 1576 Treatment:Cortisol Batch=3 #COLLECTION CO:COLLECTION_SUMMARY Immediately following birth, the lambs were euthanized with an overdose of CO:COLLECTION_SUMMARY Euthasol (pentobarbital sodium and phenytoin sodium; Virbac AH Inc), and heart CO:COLLECTION_SUMMARY tissue was collected from the right ventricle (RV), left ventricle (LV), and CO:COLLECTION_SUMMARY intraventricular septum (IVS) and immediately frozen in liquid nitrogen. Tissue CO:COLLECTION_SUMMARY samples were stored at -80 °C until data collection. CO:SAMPLE_TYPE Cardiac tissue CO:COLLECTION_METHOD Heart tissue was collected under sterile conditions and immediately frozen in CO:COLLECTION_METHOD liquid nitrogen CO:COLLECTION_LOCATION University of Florida CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_VIALS Cryovials CO:STORAGE_VIALS Cryovials #TREATMENT TR:TREATMENT_SUMMARY The treatment protocol for this study was previous published in Antolic, A., et TR:TREATMENT_SUMMARY al. (2018). "Chronic maternal hypercortisolemia in late gestation alters fetal TR:TREATMENT_SUMMARY cardiac function at birth." Am J Physiol Regul Integr Comp Physiol 314(3): TR:TREATMENT_SUMMARY R342-R352. TR:TREATMENT_COMPOUND Hydrocortisone sodium succinate in sodium phosphate (Solu-Cortef; Pfizer, New TR:TREATMENT_COMPOUND York, NY, USA) TR:TREATMENT_DOSE 1 mg/kg/day #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Homogenized right ventricle tissue samples (100 mg from 7 fetuses and 7 SP:SAMPLEPREP_SUMMARY newborns) were used for lipid extraction via the Folch method. Briefly, 2 mL of SP:SAMPLEPREP_SUMMARY internal standard mixture was added to each sample before adding 1.2 mL of 2:1 SP:SAMPLEPREP_SUMMARY chloroform/methanol solution (HPLC-grade). Samples were incubated at 4 °C for SP:SAMPLEPREP_SUMMARY 20 min with occasional vortexing. Following incubation, 200 mL of water SP:SAMPLEPREP_SUMMARY (HPLC-grade) was added and samples were incubated at 4 °C for 10 min. Samples SP:SAMPLEPREP_SUMMARY were centrifuged at 2,000 g for 5 min at 4 °C, and the resulting chloroform SP:SAMPLEPREP_SUMMARY layer was removed and transferred into a clean tube. The extraction process was SP:SAMPLEPREP_SUMMARY repeated with 400 mL 2:1 chloroform/methanol (HPLC-grade) and the resulting SP:SAMPLEPREP_SUMMARY chloroform layers were combined. Samples were dried under a nitrogen stream at SP:SAMPLEPREP_SUMMARY 30 °C and stored at -80 °C until reconstitution. Samples were reconstituted SP:SAMPLEPREP_SUMMARY with 200 mL of isopropanol and 2 mL injection standard mixture. Ammonium acetate SP:SAMPLEPREP_SUMMARY and all analytical grade solvents (formic acid, chloroform, and methanol) were SP:SAMPLEPREP_SUMMARY purchased from Fisher Scientific (Waltham, MA, USA). All mobile phase solvents SP:SAMPLEPREP_SUMMARY were Fisher Optima LC/MS-grade (acetonitrile, isopropanol, and water). Organ: SP:SAMPLEPREP_SUMMARY Heart, Organ Specification: Right Ventricle SP:PROCESSING_METHOD 50 mg of tissue was weighed and added to tubes with three 3mm glass beads, two SP:PROCESSING_METHOD 5mm steal beads, and 0.7mm zirconia beads (“2 squirts”). HPLC-water (1mL) SP:PROCESSING_METHOD was added to each tube before homogenization at 1800 rpm for 30 seconds for 5 SP:PROCESSING_METHOD rounds. Samples were incubated at 4C for 20 min between rounds. Following SP:PROCESSING_METHOD homogenization, samples were centrifuged at 2,000g for 10 min at 4C to pellet SP:PROCESSING_METHOD tissue debris before transferring supernatant to a clean tube. Homogenates were SP:PROCESSING_METHOD stored at -80C. SP:EXTRACTION_METHOD 2 mL of internal standard mixture was added to each sample before adding 1.2 mL SP:EXTRACTION_METHOD of 2:1 chloroform/methanol solution (HPLC-grade). Samples were incubated at 4 SP:EXTRACTION_METHOD °C for 20 min with occasional vortexing. Following incubation, 200 mL of water SP:EXTRACTION_METHOD (HPLC-grade) was added and samples were incubated at 4 °C for 10 min. Samples SP:EXTRACTION_METHOD were centrifuged at 2,000 g for 5 min at 4 °C, and the resulting chloroform SP:EXTRACTION_METHOD layer was removed and transferred into a clean tube. The extraction process was SP:EXTRACTION_METHOD repeated with 400 mL 2:1 chloroform/methanol (HPLC-grade) and the resulting SP:EXTRACTION_METHOD chloroform layers were combined. Samples were dried under a nitrogen stream at SP:EXTRACTION_METHOD 30 °C (Organomation Associated MultiVap) and stored at -80 °C until SP:EXTRACTION_METHOD reconstitution. SP:SAMPLE_RESUSPENSION Samples were reconstituted with 200 mL of isopropanol and 2 mL injection SP:SAMPLE_RESUSPENSION standard mixture and vortexed to mix. Fifty uL of reconstituted sample was SP:SAMPLE_RESUSPENSION transferred to a glass LC vial for analysis. SP:SAMPLE_SPIKING Internal standards: lysophosphatidylcholine (17:0), phosphatidylcholine SP:SAMPLE_SPIKING (17:0/17:0), phosphatidylglycerol (14:0/14:0), phosphatidylethanolamine SP:SAMPLE_SPIKING (15:0/15:0), phosphatidylserine (14:0/14:0), triglyceride (15:0/15:0/15:0). SP:SAMPLE_SPIKING Injection Standards: lysophosphatidylcholine (19:0), phosphatidylcholine SP:SAMPLE_SPIKING (19:0/19:0), phosphatidylglycerol (17:0/17:0), phosphatidylethanolamine SP:SAMPLE_SPIKING (17:0/17:0), phosphatidylserine (17:0/17:0), triglyceride (17:0/17:0/17:0). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Normal phase MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap CH:COLUMN_NAME Waters Acquity BEH C18 (50 x 2.1mm, 1.7um) CH:FLOW_GRADIENT 80% A and 20% B at 0 min; 80% A and 20% B at 1 min; 70% A and 30% B at 3 min; CH:FLOW_GRADIENT 55% A and 45% B at 4 min; 40% A and 60% B at 6 min; 35% A and 65% B at 8 min; CH:FLOW_GRADIENT 35% A and 65% B at 10 min; 10% A and 90% B at 15 min; 2% A and 98% B at 17 min; CH:FLOW_GRADIENT 2% A and 98% B at 18 min; 80% A and 20% B at 19 min; 80% A and 20% B at 23 min CH:FLOW_RATE 0.5mL/min CH:COLUMN_TEMPERATURE 4C CH:SOLVENT_A Acetonitrile:H2O (60:40) with 10mM ammonium formate and 0.1% formic acid CH:SOLVENT_B Isopropanol:acetonitrile:H2O (90:8:2) with 10mM ammonium formate and 0.1% formic CH:SOLVENT_B acid CH:SAMPLE_INJECTION 2 uL CH:ANALYTICAL_TIME 18 min #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Timothy Garrett AN:OPERATOR_NAME Jeremy Koelmel #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:CAPILLARY_TEMPERATURE 250C MS:ION_SPRAY_VOLTAGE 1500 MS:IONIZATION Heated electrospray MS:RESOLUTION_SETTING 70,000 MS:SCANNING_RANGE 200-2200 m/z #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative peak area MS_METABOLITE_DATA_START Samples 734.00 767.00 729.00 753.00 770.00 706.00 717.00 802.00 1576.00 3843.00 1610-16 1577.00 Factors Treatment:Control Cer(d18:1/24:0) 383759.97 1183464.09 1846503.78 506912.84 237811.36 1254027.88 337269.75 583251.68 349214.32 387251.65 395368.58 503533.54 CL(16:1_18:1_18:1_18:1) 2087530.86 2525621.81 3537742.14 4032279.59 1892510.06 1382668.45 1116779.26 1656462.12 2196408.41 1590484.98 2487841.04 2844856.47 CL(16:1_18:1_18:1_18:2) 944379.36 929564.08 2556399.57 1566812.03 1207503.06 1197867.21 589133.08 1037530.49 1524836.75 1160111.37 1220790.32 2048096.75 CL(16:1_18:1_18:1_20:1) 1851150.70 455356.05 175220.02 3292990.06 1590211.81 102993.35 636055.79 1383824.82 1371501.17 1550844.09 1936011.62 343385.07 CL(16:1_18:1_18:2_18:2) 73162.98 107413.30 227859.67 160936.20 150891.98 114515.01 47709.38 136034.23 209620.82 182343.75 114565.95 285262.44 CL(18:0_18:0_18:1_20:2) 4488322.54 15699668.33 26909271.75 7726488.70 4249211.62 13127656.69 1851852.16 7138814.51 6291112.58 5750228.87 7309501.13 5677333.89 CL(18:1_18:1_18:1_18:2) 4052153.76 3560362.57 7691240.82 4774231.14 4098413.59 2888128.06 2103563.38 4042632.99 4958388.59 5987677.23 4246255.90 4705830.16 CL(18:1_18:1_18:1_18:1) 3059249.28 1956094.42 2764826.93 5262616.53 2615462.32 1369004.33 1183389.64 2350482.68 2539217.22 2841015.59 3313777.16 1773681.25 CL(18:1_18:1_18:2_18:2) 1390144.60 890622.73 3101152.36 1375286.53 1743563.80 1392204.77 630595.34 1767364.72 2087389.79 2866636.47 1418923.69 2043939.11 CL(18:1_18:1_18:1_20:3) 600266.07 566137.57 1092801.54 764420.96 552549.54 504820.57 254561.60 506813.34 469682.56 728777.13 523201.98 456946.61 CL(18:1_18:1_18:2_18:3) 136476.81 53582.89 243939.09 113471.96 138612.12 69860.80 72943.90 230844.12 326073.88 368260.68 130687.07 258350.89 LPC(16:0) 2668773.27 8497758.28 5877199.63 1735723.42 806869.40 9459688.21 2588358.14 3633540.62 2742510.92 2068930.47 2369975.84 4324473.33 LPC(17:0) 25964579.86 36618112.59 30645861.43 24549067.60 12345240.72 27156082.36 19707897.55 26155917.40 28522843.68 20995711.04 25444295.07 26662404.30 LPC(18:0) 658491.60 2386455.49 1848689.89 495085.49 203706.18 2423975.93 602784.73 974781.26 470710.68 549849.81 457561.89 802107.00 LPC(18:1) 1300482.09 6112234.33 6494875.59 1843903.02 819265.65 5920375.89 2251217.99 2446555.59 2045075.06 2536355.28 1424293.77 5458778.09 LPC(19:0) 49653461.85 46924133.84 68824827.01 22548143.55 37176101.52 53594141.60 57501307.11 63427452.82 55778201.55 26182175.33 7458259.43 46208663.31 LPE(18:1) 702129.91 1285930.04 1703262.65 448175.42 144120.96 4173140.40 230315.23 674583.41 904688.23 842979.60 784131.12 2703972.32 PC(14:0_16:0) 445429.31 1651867.60 2508151.70 1154349.95 339964.87 2433329.00 244897.38 1420796.07 312480.56 168326.41 740187.64 454284.47 PC(16:0_20:4) 10244402.92 26798544.74 31732828.27 12440796.93 6040163.80 24541511.86 6545914.16 16482418.30 9757178.40 14299928.44 11460928.97 9095848.07 PC(16:0_18:2) 5260866.94 17714175.16 18506788.42 7560227.00 3360740.25 12758287.75 2618455.12 11568938.98 7751869.92 5183259.97 6521257.33 8301726.97 PC(16:0_20:3) 4309125.46 16027568.96 11654929.37 6734029.55 2658004.27 10229868.22 2710908.77 5692317.87 3921547.73 4576033.10 4642697.48 5260167.17 PC(16:0_17:1) 847771.78 3034623.08 3365186.88 1192900.19 523950.56 2664871.01 558682.59 1609044.02 1353818.73 632325.51 1594113.52 1376215.93 PC(16:0_22:6) 658900.46 3547133.92 1417736.72 743203.94 371997.53 2384787.10 190657.64 1295309.14 1477560.90 803753.48 1622698.66 709137.55 PC(16:0_18:3) 935848.17 2438628.24 2626674.32 1193902.68 536227.77 1953229.44 505774.50 1220849.73 959200.88 855386.30 803447.15 967049.75 PC(16:0_20:5) 404310.21 3124230.66 1096357.61 580757.60 216142.55 973992.06 142446.80 722011.98 874628.34 561407.48 1329303.96 313450.17 PC(16:0_22:3) 936826.74 2040053.30 1974716.96 917452.11 671799.45 2301376.64 624727.83 1336709.86 534718.43 930570.22 707667.74 956803.55 PC(17:0_17:0) 14846227.18 21333311.41 18473077.04 14989143.93 7690009.78 15545371.19 11705509.16 15917889.47 16556950.28 12803535.27 15753333.53 15324927.12 PC(17:0_18:1) 1387548.24 3945408.27 4900203.88 1479515.03 780081.47 3569808.23 805046.94 2229879.32 1810642.09 1098105.51 2104802.20 2235506.06 PC(17:1_18:1) 451281.47 1530151.18 2111643.49 646513.98 314613.76 1563815.05 273944.57 941127.57 666793.80 415988.83 657622.19 856446.33 PC(18:0_18:1) 12963677.36 49083391.99 45102584.91 16994897.25 7568592.66 32878542.68 8044391.42 20428449.82 13409883.48 14099728.51 14816461.42 16738395.20 PC(18:0_20:4) 4155759.35 9850902.15 11897308.21 4745658.92 2577104.26 10725116.93 2838613.47 6290482.95 2327893.57 5695198.41 3770709.26 2305526.34 PC(18:0_20:3) 1694461.18 6048158.33 4496927.88 2534658.48 1014893.28 3625009.58 1127295.71 1957944.43 905312.04 1710044.72 1482162.39 1295557.66 PC(18:0_22:5) 438969.47 1947659.61 1117046.81 544893.01 173991.46 940254.00 234378.30 675502.72 422541.28 484548.87 615322.97 277269.19 PC(18:0_22:6) 216196.96 1243223.11 462633.45 250147.73 114661.99 826917.87 69725.10 403718.61 287963.83 283035.64 447426.21 174385.26 PC(18:0_22:4) 364894.11 813983.98 1157710.91 416966.67 229394.09 981873.34 275063.83 466095.28 111899.70 403830.53 132609.00 235314.38 PC(18:1_18:1) 13940054.38 44018775.26 53040403.06 18696356.80 10672968.83 33077626.87 9332791.50 21706082.80 17023286.12 16842463.23 16813962.27 24507975.85 PC(18:1_18:2) 2652347.25 7664239.19 7988475.04 3079219.82 1718352.72 5711538.97 687980.68 5490032.16 1631588.64 2212310.42 2828813.02 1101201.90 PC(18:1_20:4) 3081854.07 10647847.29 10829965.90 3733775.64 1790232.40 7630900.80 1719534.57 4762204.02 3294607.87 4163173.50 4087377.76 2576141.38 PC(18:1_20:3) 1518859.69 3893148.94 4641234.92 1959174.12 1035821.77 3790385.30 1056032.85 1792542.70 962524.64 1652321.73 1001881.55 1682129.82 PC(18:1_20:1) 588048.44 2207480.66 1848253.42 928235.67 282339.42 1564925.24 368299.81 928335.63 430311.80 297896.20 591263.28 678727.69 PC(18:1_20:5) 133655.73 733507.11 474884.28 146544.42 71846.66 381009.52 24219.17 273522.17 146905.79 262538.36 300453.42 61647.76 PC(18:1_22:6) 139366.77 782675.53 537153.52 203080.63 89067.79 928582.74 35891.20 240399.93 240945.83 237109.81 333708.26 155621.28 PC(18:1_22:5) 141847.73 801805.69 562006.47 188333.22 99750.19 371823.32 89454.54 225648.76 171041.47 147105.69 250292.97 102638.74 PE(16:0_20:3) 452428.03 1424643.61 1477481.69 742687.01 343734.11 1146936.18 206135.19 568316.94 373863.57 472671.39 423538.25 506890.26 PE(16:0_22:6) 180159.94 913595.45 678603.19 290671.54 171174.08 957804.61 46909.44 475974.50 299973.80 255338.83 496394.20 155088.98 PE(16:1_18:1) 240947.74 1207540.50 1749551.45 580398.78 242297.21 826483.70 109045.19 532284.87 415096.45 275655.27 475366.39 286182.65 PE(17:0_18:1) 251678.07 1121885.20 1955234.84 373465.80 197943.50 1056649.21 90282.52 569094.36 353209.13 234700.99 511979.32 285170.80 PE(17:0_20:4) 253376.91 573103.91 921296.77 195960.03 92962.03 467554.79 143128.40 428107.25 360610.55 258920.74 332029.93 383602.41 PE(17:1_18:1) 289238.18 618206.50 751777.84 308437.63 199523.57 431232.99 295475.78 282840.71 729314.61 303372.19 441699.18 536228.85 PE(18:0_18:1) 6881519.52 35678628.04 51616330.39 10182166.44 5333905.29 27437445.08 2655779.72 12950998.90 7842504.22 8459860.05 11831125.08 6128793.88 PE(18:0_22:6) 910209.80 5750001.89 2327986.24 1237756.71 659595.99 3192137.00 73359.78 2238497.15 1967426.07 1019949.83 2371241.63 844660.69 PE(18:0_22:5) 541543.65 3543436.24 1820137.48 866227.53 334539.57 1240361.86 70969.34 1102509.72 753353.69 566334.95 1223378.62 339425.90 PE(18:0_20:5) 430975.62 2201861.98 1907647.70 720794.25 355242.73 1327668.02 134562.38 870604.62 483810.41 521496.02 754929.05 432810.05 PE(18:0_22:4) 853365.13 2313761.00 3356344.99 1134535.96 683345.39 2205737.53 258527.82 1417266.18 468110.01 749999.43 674483.13 559024.09 PE(18:0_22:3) 591124.47 2004461.98 2424592.88 762845.81 490306.09 1598767.64 184201.64 712229.80 300796.45 537789.56 616903.84 426540.86 PE(18:0_20:3) 3423687.73 13261343.23 14113539.92 5873939.44 2710978.21 9303203.36 1455828.14 4820666.08 2871604.65 3377911.44 3702943.57 3017565.61 PE(18:0_20:2) 272229.30 814619.59 1473750.07 519423.28 240262.43 796397.83 83237.63 253078.23 254612.46 142008.08 347175.12 162621.08 PE(18:1_20:4) 2003169.13 6396735.10 10409756.98 3537926.94 1668523.36 7382792.31 815562.55 3837962.94 2733225.04 2641991.06 2451748.27 2130629.82 PE(18:1_18:2) 296503.62 1308297.94 2016533.03 487288.05 250550.49 813743.30 96458.37 857970.37 586914.16 438913.76 538232.45 260851.38 PE(18:1_20:1) 493728.48 1241064.29 2618881.96 610339.43 258717.25 1462955.53 153310.68 537673.63 256399.74 264898.10 607325.05 383686.51 PE(18:1_22:6) 170252.62 970600.81 559688.38 278568.06 133391.04 1050629.82 13122.29 431106.00 379321.14 244472.47 503188.49 155468.09 PE(18:2_20:4) 68793.43 406917.20 303417.84 113041.11 45748.49 179515.65 8110.14 133942.14 161435.45 129117.64 127016.55 43786.76 PG(16:0_18:1) 3189046.85 11392688.49 10621292.30 5472038.28 2563608.43 7827170.07 1825784.77 6066518.50 5642959.09 3230575.98 6004001.22 5977964.44 PG(18:0_18:1) 1079921.57 3816289.06 3316799.69 1185289.26 665513.43 2227959.32 588475.79 1422366.63 1761457.77 1220401.84 1889963.10 1746615.24 PG(18:1_18:1) 167762.51 886089.57 586034.78 297363.28 228031.89 483458.63 153662.23 144843.18 351389.44 405948.16 296537.90 416907.66 PI(16:0_18:1) 516556.53 628237.80 3195462.83 1169669.52 607884.71 1330787.18 208281.68 512131.22 879304.72 722651.54 945481.75 1059801.58 PI(16:0_20:3) 235559.07 207170.94 915702.55 448039.93 141200.27 787162.98 50274.93 155582.98 289492.92 177815.85 334768.89 478465.65 PI(16:0_20:4) 121852.54 96026.22 699119.37 225416.28 94561.92 492093.81 45267.22 132327.84 138949.48 152283.56 172077.82 132242.81 PI(18:0_20:4) 2866652.11 2645896.16 11329475.07 3903179.55 2213326.63 9380256.63 1263676.71 2416714.19 3602284.46 4605671.92 4282828.49 3363014.42 PI(18:0_20:3) 2070519.56 2305414.33 5839967.66 3418398.46 1735042.28 7191312.27 828830.70 1337934.74 2964596.90 2259767.39 3129398.55 3647043.46 PI(18:0_18:1) 1710502.69 1772309.01 7678154.71 2442467.39 1433673.07 3700616.45 501951.63 1357852.59 3208783.30 2832250.26 3207547.78 3623166.04 PI(18:0_20:5) 540872.20 467077.92 2946954.72 637183.24 452521.68 1581716.59 383145.45 550922.13 505680.92 967396.93 647992.13 582598.00 PI(18:0_18:3) 23563.62 9086.17 200222.17 45056.89 37737.59 96569.93 4406.86 27367.11 62805.35 53524.32 37063.83 90236.88 PI(18:1_20:4) 63298.97 90563.92 251629.80 84976.50 41738.82 173355.78 7574.84 98227.23 96008.67 86569.71 154143.61 66073.93 Plasmanyl-PC(O-16:1/18:1) 7395401.69 24050627.07 26523888.87 10871438.27 5102329.49 15852797.95 4286624.05 8859324.71 11250920.01 8440238.85 9363655.58 12783563.22 Plasmanyl-PC(O-16:1/20:4) 8964199.27 21198008.59 28889837.85 10832191.37 6445541.10 14661521.32 6134796.35 13510411.96 9636009.05 13499145.83 10592548.90 7520049.81 Plasmanyl-PC(O-16:1/22:4) 1413411.73 4045274.93 3956463.92 2448707.49 1715437.96 3545677.63 1488188.63 2650067.43 1677001.57 1753259.91 1672104.79 1633576.46 Plasmanyl-PC(O-16:1/18:2) 726827.67 2614911.04 3294705.24 1366576.97 522390.47 1654009.95 388492.83 1274506.98 1389112.36 1164082.66 1056154.72 1102913.60 Plasmanyl-PC(O-16:1/20:3) 3400328.57 10716731.67 9404771.53 5198790.72 2620825.39 5991206.70 2357423.48 3921456.41 3139829.73 3999741.43 3533350.08 3685553.09 Plasmanyl-PS(O-18:0/17:0) 669399.84 2368804.25 3681559.62 1407414.35 576386.74 1290833.93 530470.94 1053460.86 980599.85 561694.00 1281393.97 1020431.45 Plasmanyl-PC(O-16:1/22:6) 560797.27 2413391.19 1054761.06 622161.12 338736.14 1157398.11 171966.86 999062.66 1424834.69 675993.03 1511048.25 548255.18 Plasmanyl-PC(O-16:1/20:5) 358023.54 2259483.98 837878.35 420080.59 174238.15 523802.70 100288.36 545150.39 781645.16 561698.21 1183353.34 227849.03 Plasmanyl-PC(O-18:1/18:1) 457558.28 1258687.83 1536075.49 543685.12 323020.42 1044632.89 241691.02 485631.52 495418.88 416065.77 411851.54 720186.80 Plasmanyl-PC(O-16:1/16:1) 287994.78 1103663.30 1410168.78 625564.99 237159.59 703495.67 171504.13 372875.79 419157.90 238345.72 459828.20 416548.62 Plasmanyl-PC(O-16:1/18:3) 366918.31 742318.69 1067657.65 427065.73 218646.84 770181.15 157868.85 331309.28 417803.49 412260.87 313057.01 376092.20 Plasmanyl-PC(O-16:0/16:0) 202988.07 806685.15 1377751.72 472649.39 140943.82 327844.12 225658.01 285959.81 275552.94 128355.95 290133.19 319429.67 Plasmanyl-PS(O-20:0/20:4) 88241.92 337506.40 590168.13 179579.31 35731.99 372961.06 102405.94 267515.38 182910.25 93542.91 261510.18 83183.24 Plasmanyl-PS(O-20:0/20:3) 153793.78 118707.54 373922.07 135775.97 46844.91 225227.79 45258.80 91001.54 38772.16 38211.17 125493.59 140779.48 Plasmenyl-PE(P-18:1/20:3) 8131222.94 15749227.62 18165148.58 8251622.36 6075868.53 15482665.40 5946498.14 8530588.90 6742815.90 6210652.29 4409266.85 8250500.64 Plasmenyl-PE(P-18:1/18:1) 2384252.57 11107656.40 10889958.04 4477792.54 2230343.51 7846642.28 871447.60 4057899.22 3513188.59 2886564.69 3905523.04 3196371.62 Plasmenyl-PE(P-18:0/18:1) 2105275.18 7779279.22 8135219.41 2906110.26 1451739.97 6487629.52 655910.19 3115486.10 2548020.86 2061549.92 2559681.08 2580362.68 Plasmenyl-PC(P-18:1/20:4) 2318394.59 8551093.26 7924477.98 2929825.62 1686628.28 3639294.06 1599018.85 3601645.21 3493452.19 3314993.64 3923635.38 1711753.57 Plasmenyl-PC(P-18:0/16:0) 1264836.70 4878223.63 5183978.35 1952334.01 714064.39 2463197.50 994415.87 1726479.64 1887351.45 1360536.47 1470509.61 2967734.10 Plasmenyl-PE(P-18:1/22:6) 593539.02 3962077.13 1591014.63 1047141.45 472710.21 2327808.61 87978.88 1315248.76 1766166.10 760465.59 2223704.11 562679.13 Plasmenyl-PE(P-18:1/22:5) 477557.84 3791070.54 1632836.53 964274.83 242524.59 1196862.36 83650.64 902317.40 1036763.20 606546.72 1546331.19 303088.12 Plasmenyl-PE(P-18:1/20:5) 297951.35 2617077.02 831351.76 508491.74 174728.47 604270.72 38514.97 562688.96 845322.21 438746.91 1182694.66 160357.23 Plasmenyl-PS(P-18:0/20:4) 697850.96 965560.79 826135.36 477507.03 332347.34 784115.42 836377.17 668189.93 1305344.68 789386.39 544047.20 962788.78 Plasmenyl-PS(P-16:1/22:5) 490055.23 1570042.42 2122116.34 817697.58 367331.80 1161564.37 174365.23 800397.32 653561.59 643793.88 812403.54 343993.37 Plasmenyl-PE(P-16:0/16:0) 435536.95 1599762.85 1900603.61 1067923.09 350857.81 697023.07 224820.03 668643.99 491957.81 251191.64 468713.08 431800.61 Plasmenyl-PS(P-16:0/20:3) 248980.40 1196350.00 1442384.52 548336.37 196816.64 731580.42 94402.80 419080.48 387552.87 263930.60 491268.67 288756.92 Plasmenyl-PE(P-16:0/18:3) 207823.30 746833.86 1039624.57 425263.14 217036.52 668428.68 45068.57 213197.68 294489.32 297055.56 316374.62 281025.21 Plasmenyl-PE(P-16:0/22:1) 344533.37 290761.45 517461.03 187898.08 244877.85 859463.77 59169.94 368623.83 131788.77 209239.54 49637.35 366839.90 Plasmenyl-PE(P-16:0/17:1) 111494.82 546821.97 783492.67 299324.93 92190.03 394579.98 17219.23 244632.72 202598.29 66864.23 357003.09 163458.12 Plasmenyl-PS(P-16:0/22:5) 113182.91 661115.93 540043.28 293225.54 112212.25 360501.15 15274.15 170064.01 140300.82 159372.92 214517.88 141852.11 Plasmenyl-PE(P-18:0/22:5) 734892.93 4111143.44 2530086.56 1087365.91 327520.34 1827444.25 142784.57 1195624.10 1163841.05 745267.25 1719224.16 448990.56 Plasmenyl-PS(P-18:1/20:4) 84320.00 204444.79 193053.07 64008.93 32486.19 113345.13 127169.81 110141.82 313723.76 123335.49 163093.73 160480.42 Plasmenyl-PS(P-16:0/22:3) 72415.37 348210.72 363750.49 119149.16 60798.43 276878.04 9877.48 123348.68 92173.92 82747.55 108072.59 100537.63 Plasmenyl-PS(P-16:0/22:4) 60379.34 376907.68 345471.01 142431.65 36401.24 224489.53 6589.98 109569.03 123526.44 70542.90 126934.76 86465.72 Plasmenyl-PS(P-20:0/20:4) 29059.75 118922.12 188199.52 54797.26 13548.56 59473.60 14205.97 60283.47 68136.83 53530.40 70327.69 25154.84 Plasmenyl-PS(P-16:1/22:6) 2386.73 89654.51 24139.10 9107.37 0.00 2243.50 0.00 7855.33 34333.83 1659.79 58350.42 0.00 PS(14:0_14:0) 3294808.43 2624563.78 4652695.95 3906887.23 2139724.43 2826666.99 2031871.40 2759960.43 3108325.97 3135635.84 3789727.81 3747335.33 PS(18:1_18:1) 319248.09 352821.99 1354171.51 439971.60 290913.57 633101.62 128773.07 275178.41 270483.17 357666.43 486559.02 420822.46 SM(d14:0/18:1) 147506.37 544845.97 563617.27 242246.54 80881.83 489272.01 117079.59 208321.15 156430.64 133644.50 233991.54 221577.09 SM(d18:1/16:0) 8820602.93 28301301.90 32087968.54 10577078.67 5726633.94 27096423.87 6595646.55 11277294.17 8257933.67 9067378.03 13562776.15 9711122.93 SM(d18:1/18:1) 1428344.57 2546517.36 3542672.39 1351327.25 780773.62 2934160.89 824900.89 1570185.74 1453430.34 1270828.17 1687907.08 1612698.32 SM(d18:1/16:1) 284489.20 667402.79 764493.43 320582.11 170838.51 909798.65 170578.08 367880.08 280007.62 253779.33 455278.04 326942.99 Cer(d18:1/17:0) 64535387.87 77644799.15 62022139.47 58746523.70 28829668.34 56305047.07 52786031.87 56925739.71 68809899.09 52312397.22 61885659.07 59215524.97 Cer(d18:1/24:1) 841218.25 2208552.08 3221408.48 822121.26 358929.51 3766334.48 797020.25 1164399.18 742371.71 929428.76 794806.73 1049259.25 Cer(d18:1/16:0) 472486.80 1112107.88 2084183.85 472458.01 270305.72 2436416.39 373064.81 571859.90 363791.50 570016.35 586404.54 453385.92 Cer(d18:1/18:0) 489505.91 879451.23 1698048.66 434494.40 243056.69 1564942.98 585064.85 519836.71 446751.41 653506.50 605976.33 619797.26 LPE(16:0) 216628.35 934638.89 956164.30 261641.61 103518.65 1334288.51 127103.25 427797.06 201404.39 220173.23 177802.72 353640.90 LPE(18:0) 1376466.44 6802726.92 5062139.33 1404030.04 439112.56 6888029.14 667344.11 2535881.69 1531494.60 1198515.02 1159526.91 1934819.74 LPE(20:3) 79880.68 346927.71 583339.84 244600.56 79162.60 404427.45 87509.30 115365.91 115143.07 152126.02 120995.84 940981.20 LPE(20:4) 457153.26 1177229.28 2644541.49 863846.22 390304.32 1691102.22 478284.31 736235.76 582767.80 807220.93 545942.19 2290475.19 PA(22:3_22:3) 1128269.60 3102298.38 2582992.57 930501.18 394477.43 2095881.14 1127226.82 1431106.50 1611042.03 1082070.68 782195.03 1057183.62 PC(14:0_14:0) 0.00 33220.43 71516.35 9898.50 0.00 96110.41 1314.53 91380.62 1491.63 0.00 15271.03 1200.44 PC(16:0_18:1) 51385359.09 164073112.05 163556281.63 63265485.36 33037547.27 116668859.76 33790331.97 75162059.85 73165306.81 52484865.97 68512327.46 81992002.43 PC(16:0_16:1) 3283628.36 13230086.12 14170386.37 6455486.25 2459992.58 10560121.70 1837308.80 4893507.12 4478250.80 2419559.37 4988164.74 5164213.00 PC(16:1_16:1) 106340.92 402095.05 562208.68 243008.95 49887.20 442661.87 33754.56 143006.67 141777.94 28004.52 165887.04 187009.79 PC(18:3_18:3) 767893.68 1351129.87 1355832.55 800299.62 259253.44 1424132.45 863701.71 1047624.16 1300389.64 810360.64 383136.16 959719.99 PC(19:0_19:0) 23129510.91 18393551.05 24178861.50 10258598.63 13620623.18 22624594.13 20965815.92 23489521.15 18262841.00 12160240.11 3398102.16 20628418.50 PE(15:0_15:0) 20757744.75 31729051.70 26937626.61 23112568.57 11420976.22 21757264.83 8789057.28 23059751.79 22106133.53 18100510.63 24514655.17 17990956.65 PE(16:1_18:0) 2334394.06 9283289.48 13669538.30 4038242.27 2108841.97 7279781.36 1138607.25 4101383.80 2828027.95 2513446.26 3639619.25 2445180.63 PE(16:1_17:0) 36808.68 129058.07 185025.81 57178.69 21256.52 91628.00 29929.11 58779.11 49573.40 15700.90 63879.28 52856.95 PE(17:0_17:0) 44721081.38 33564863.16 42949969.20 18886354.31 28111490.54 40902326.38 41758329.97 41605533.32 35123899.52 23647363.14 6825716.31 38225331.25 PE(17:1_17:1) 9801.52 92761.21 138334.47 55999.53 17785.10 96015.88 8247.21 28564.39 22578.48 11675.06 78002.70 123534.53 PE(18:0_20:4) 12752024.75 42262902.76 46778300.08 16802932.53 8882726.73 32382477.04 5165557.70 24950894.32 14293787.83 14827169.62 13356510.30 11276614.42 PE(18:2_18:2) 1117200.05 3888079.49 6028370.78 1865080.23 884271.94 4083766.83 536319.13 2478069.73 1262579.27 1385152.23 1350641.95 1163443.44 PG(12:0_14:0) 232648.57 277229.30 238993.58 206535.96 102809.95 201647.29 177615.23 209959.48 258666.05 182478.32 244658.19 217775.98 PG(14:0_14:0) 38921662.25 44750146.41 40037080.83 35616517.49 18171308.60 35222201.31 30830839.35 34360138.68 43686255.05 32742923.08 37761109.62 36870557.21 PG(17:0_17:0) 47039252.36 37069552.09 40689422.88 19198030.22 38685004.21 42308038.62 45244460.54 39404046.77 42566040.14 24830106.91 7642938.14 39335504.12 PI(18:0_18:2) 1960103.67 2197275.95 10507702.43 2944448.57 2094985.06 3140415.17 775018.60 1269902.41 3106753.62 3844082.26 2366482.79 4362846.41 Plasmanyl-PC(O-16:0/20:3) 1526198.12 4995673.99 5693763.94 2372642.29 1299833.83 3029705.93 829018.64 1714597.53 1822176.85 1562905.20 1635100.36 2301831.52 Plasmanyl-PC(O-18:1/20:4) 575855.40 1418782.29 1896979.95 716695.29 400181.70 1034011.97 401739.97 801305.17 518958.69 821266.52 676483.91 484376.48 Plasmanyl-PC(O-16:0/22:4) 655440.88 655378.14 909315.91 456746.63 503509.67 1078238.07 409690.91 593850.92 256899.60 637111.48 236672.44 551963.17 Plasmanyl-PE(O-16:0/18:1) 238498.87 758290.56 694991.94 323203.15 169476.07 343432.82 166700.40 345216.23 238418.26 160358.00 197635.23 234443.32 Plasmanyl-PC(O-18:0/20:4) 216271.29 501392.26 517123.38 261862.06 91157.37 298223.01 61145.08 218215.71 142640.25 170298.62 157797.68 221978.32 Plasmenyl-PE(P-16:0/20:4) 13618002.89 44309878.20 61688835.81 23378138.38 10615903.44 33483391.89 5462069.38 22620791.42 17936562.09 17830036.97 22861843.74 11705043.40 Plasmenyl-PE(P-18:1/20:4) 9328548.79 38504960.62 38542824.42 16946690.24 7686773.80 23426389.17 3472241.56 16933489.14 13463611.19 12835383.88 16940073.39 7555828.66 Plasmenyl-PE(P-16:0/18:1) 6642838.59 29399175.63 36715519.31 13488733.23 5282216.16 17952250.84 2429289.39 10853994.66 9860463.98 6641304.56 12344701.61 8043857.57 Plasmenyl-PE(P-18:0/20:4) 6056243.11 21180122.57 26451392.49 9210563.65 4849225.46 17944802.73 2292338.39 9724369.95 7426526.91 8965300.81 8786750.87 5347572.78 Plasmenyl-PE(P-16:0/20:3) 4026625.22 18089591.78 17025600.12 8993140.01 3337663.81 11383693.91 1457981.99 5197763.41 4826093.98 4650267.48 6453184.32 4889202.83 Plasmenyl-PE(P-16:0/22:6) 1373329.70 7609463.24 3557878.84 2101551.49 939397.04 4419890.36 253259.27 2802106.08 3610347.12 1484945.30 5161856.78 1175715.06 Plasmenyl-PE(P-18:0/20:3) 1365201.42 6875014.91 6140790.94 2798865.34 1184853.04 4775540.10 477416.35 1890972.51 1550947.92 1860349.65 2035235.45 1500996.47 Plasmenyl-PE(P-16:0/22:5) 1241409.63 3867544.14 4988448.90 2503600.10 1030519.35 3080701.48 554153.15 2091058.82 1483037.74 1374382.96 1927537.38 1262338.76 Plasmenyl-LPE(P-16:0) 1075545.22 4689283.83 3940200.58 1303455.45 428602.06 5178257.06 817240.89 1694509.29 1595718.75 1038502.66 1478332.22 1314698.34 Plasmenyl-PE(P-16:0/22:3) 1700274.96 2535612.95 3778740.62 1530612.04 1257813.42 4259074.17 576316.38 1874843.12 860360.91 1623887.09 730356.96 1337742.18 Plasmenyl-PE(P-16:0/20:5) 444463.95 4083280.60 1384817.69 784450.84 253841.61 930348.73 57838.63 745763.67 1391767.95 611206.58 2167742.75 309820.00 Plasmenyl-PE(P-18:0/22:6) 509555.11 2774970.49 1229461.27 753826.63 324565.21 1967022.10 66087.98 939474.65 1234796.64 673874.09 1721458.68 429677.83 Plasmenyl-LPC(P-16:0) 745158.80 2047115.34 1500944.03 443615.35 289386.35 1822356.47 938400.26 980240.89 786664.92 653460.40 818429.37 940165.52 Plasmenyl-LPE(P-18:1) 444929.81 2153695.79 1470121.25 497996.25 201575.42 2312492.17 331506.40 728827.95 628594.80 436694.65 529319.87 505020.79 Plasmenyl-PE(P-16:0/16:1) 228006.27 1241770.85 1684715.09 801259.88 208122.66 618764.35 79206.16 386841.83 415737.89 155873.65 614941.17 249885.00 Plasmenyl-PE(P-18:1/17:0) 154938.71 725821.44 1044692.28 316387.60 109938.95 718211.38 28616.91 369235.06 276558.63 139968.51 419854.50 279746.51 Plasmenyl-PC(P-18:1/16:1) 286195.10 774839.82 791277.58 429256.93 157240.67 562562.29 69469.65 221193.81 483364.71 296738.17 278104.45 594681.31 Plasmenyl-LPE(P-18:0) 235833.85 1223446.43 947154.43 242035.17 81145.45 1398819.35 152444.34 369706.91 333343.01 252187.60 286962.62 286201.35 Plasmenyl-LPC(P-18:1) 69823.20 261947.39 231961.62 62041.37 45341.16 211735.43 110696.76 122400.97 84196.65 69503.82 99950.86 85096.74 PS(17:0_17:0) 15320078.09 6596823.48 11683975.27 7113207.88 11956217.94 11616738.69 19644534.70 13369581.25 10918400.62 8738985.88 2008841.65 15171418.02 PS(18:0_18:1) 2252396.94 3451705.92 11715643.03 3783722.94 2492835.56 5460053.17 1408281.12 2308665.62 1916702.73 3422422.44 4327383.54 2935151.84 SM(d20:1/16:0) 7202092.66 16513279.13 22407150.51 7752282.82 4633011.43 14969992.09 5295577.02 9129640.44 7251654.88 8333660.37 10775838.67 9536943.29 SM(d20:1/18:0) 1895243.96 5908397.95 7571575.61 3234750.72 1228419.62 2309376.86 1312759.15 2963437.81 2245303.20 1635316.96 3193360.81 2378295.86 SM(d22:0/20:3) 713306.75 2367296.18 1816932.30 780581.01 343849.90 1719578.25 478376.13 774467.22 648421.97 628976.63 825532.56 781667.78 SM(24:1) 30222186.26 38172712.38 32853587.13 28203655.14 13761682.40 29521245.62 23136167.93 28739565.99 32262661.24 25388255.38 30598546.80 28933106.87 SM(33:1) 119183.38 428578.33 488739.21 162502.77 81054.84 523658.57 94691.83 178280.03 164887.68 141453.87 251645.26 210137.81 SM(34:0) 399911.55 1299977.69 1617573.63 468818.99 227090.62 849343.71 307934.78 561853.67 295519.56 347241.46 559167.59 357796.02 SM(38:2) 512862.57 1201481.05 1484103.50 830847.58 287186.10 525059.84 288768.08 673678.32 576470.48 321794.66 747107.98 531676.91 SM(40:1) 2586755.10 9983893.57 11493467.39 4068383.05 1914337.38 5192950.23 1937614.56 4245629.03 3170776.59 2675585.68 4490026.28 4057697.73 SM(40:2) 639909.32 2091579.74 2158047.10 876055.72 350110.61 1190384.53 318846.42 819420.67 609199.68 526135.06 927187.00 804895.91 SM(41:1) 282920.97 953131.68 1336954.15 377779.20 181743.60 816690.41 181018.91 491309.38 321940.15 277970.03 646780.99 470776.82 SM(41:2) 197752.73 671831.49 755759.21 208243.44 134953.43 712705.65 114599.71 316266.02 221220.36 132291.20 428151.95 344878.97 SM(42:1) 1571289.56 5192720.79 7219356.68 2393788.77 1306058.46 4454144.45 1061466.43 2403786.85 1611771.24 1538923.45 2642924.62 2129984.02 SM(42:2) 5327375.20 18301352.88 16579789.24 6574443.55 3546069.60 14179366.88 3991141.50 7431270.70 5100814.40 4956083.18 7530110.86 7279538.28 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z Adduct Cer(d18:1/24:0) 12.05190351 694.6345393 [M+HCO2]- CL(16:1_18:1_18:1_18:1) 14.8886588 1427.992777 [M-H]- CL(16:1_18:1_18:1_18:2) 14.56025741 1425.977531 [M-H]- CL(16:1_18:1_18:1_20:1) 15.22033083 727.5084586 [M-2H]2- CL(16:1_18:1_18:2_18:2) 14.19103102 711.478063 [M-2H]2- CL(18:0_18:0_18:1_20:2) 8.583197083 742.5377053 [M-2H]2- CL(18:1_18:1_18:1_18:2) 14.93794074 1454.008486 [M-H]- CL(18:1_18:1_18:1_18:1) 15.21500833 1456.023355 [M-H]- CL(18:1_18:1_18:2_18:2) 14.62679213 1451.991728 [M-H]- CL(18:1_18:1_18:1_20:3) 15.00140602 1480.023173 [M-H]- CL(18:1_18:1_18:2_18:3) 14.27012639 724.4856543 [M-2H]2- LPC(16:0) 1.33521 540.3293255 [M+HCO2]- LPC(17:0) 1.77852375 554.3450994 [M+HCO2]- LPC(18:0) 2.413598333 568.3609341 [M+HCO2]- LPC(18:1) 1.334796491 566.3452655 [M+HCO2]- LPC(19:0) 3.2512025 582.3764963 [M+HCO2]- LPE(18:1) 1.487383796 478.2928579 [M-H]- PC(14:0_16:0) 7.715882407 750.5291287 [M+HCO2]- PC(16:0_20:4) 7.792480093 826.5584078 [M+HCO2]- PC(16:0_18:2) 7.894135833 802.5583626 [M+HCO2]- PC(16:0_20:3) 8.257806944 828.5739372 [M+HCO2]- PC(16:0_17:1) 8.080197222 790.560431 [M+HCO2]- PC(16:0_22:6) 7.622649074 850.5588037 [M+HCO2]- PC(16:0_18:3) 7.601655093 800.5436132 [M+HCO2]- PC(16:0_20:5) 7.383998611 824.5426582 [M+HCO2]- PC(16:0_22:3) 8.73967963 856.6054874 [M+HCO2]- PC(17:0_17:0) 9.0540975 806.5906162 [M+HCO2]- PC(17:0_18:1) 8.727904167 818.5897062 [M+HCO2]- PC(17:1_18:1) 8.124913889 816.5743984 [M+HCO2]- PC(18:0_18:1) 9.096483333 832.6060956 [M+HCO2]- PC(18:0_20:4) 8.416164352 854.5894071 [M+HCO2]- PC(18:0_20:3) 8.937164815 856.6056055 [M+HCO2]- PC(18:0_22:5) 8.423952315 880.6055536 [M+HCO2]- PC(18:0_22:6) 8.227543056 878.5895426 [M+HCO2]- PC(18:0_22:4) 8.90387037 882.6217428 [M+HCO2]- PC(18:1_18:1) 8.433290417 830.5898539 [M+HCO2]- PC(18:1_18:2) 7.937320833 828.5740373 [M+HCO2]- PC(18:1_20:4) 7.818817593 852.5737136 [M+HCO2]- PC(18:1_20:3) 8.272875926 854.5894671 [M+HCO2]- PC(18:1_20:1) 9.10325787 858.620818 [M+HCO2]- PC(18:1_20:5) 7.410331481 850.5591307 [M+HCO2]- PC(18:1_22:6) 7.657213426 876.5740585 [M+HCO2]- PC(18:1_22:5) 7.849998611 878.5892224 [M+HCO2]- PE(16:0_20:3) 8.408184259 740.5221147 [M-H]- PE(16:0_22:6) 7.745225 762.5057606 [M-H]- PE(16:1_18:1) 7.97765787 714.5062618 [M-H]- PE(17:0_18:1) 8.90558964 730.5378304 [M-H]- PE(17:0_20:4) 8.20659537 752.5208149 [M-H]- PE(17:1_18:1) 8.285046581 728.5225519 [M-H]- PE(18:0_18:1) 9.273194907 744.5534795 [M-H]- PE(18:0_22:6) 8.369093056 790.537518 [M-H]- PE(18:0_22:5) 8.576623611 792.5506751 [M-H]- PE(18:0_20:5) 8.095176852 764.5211438 [M-H]- PE(18:0_22:4) 9.068466667 794.5691472 [M-H]- PE(18:0_22:3) 9.64617037 796.5852182 [M-H]- PE(18:0_20:3) 9.099755556 768.5533436 [M-H]- PE(18:0_20:2) 9.470115741 770.5695507 [M-H]- PE(18:1_20:4) 7.961831481 764.5208667 [M-H]- PE(18:1_18:2) 8.076492593 740.5221274 [M-H]- PE(18:1_20:1) 9.292354167 770.5693953 [M-H]- PE(18:1_22:6) 7.785856019 788.5208543 [M-H]- PE(18:2_20:4) 7.545372222 762.5044979 [M-H]- PG(16:0_18:1) 7.9950625 747.5162099 [M-H]- PG(18:0_18:1) 8.634041667 775.5472437 [M-H]- PG(18:1_18:1) 7.660913889 773.5324449 [M-H]- PI(16:0_18:1) 7.879147222 835.5318444 [M-H]- PI(16:0_20:3) 7.774568981 859.5319574 [M-H]- PI(16:0_20:4) 7.3344875 857.5171381 [M-H]- PI(18:0_20:4) 7.92440787 885.547617 [M-H]- PI(18:0_20:3) 8.379287037 887.5635728 [M-H]- PI(18:0_18:1) 8.506797685 863.5633758 [M-H]- PI(18:0_20:5) 7.379846296 883.5321625 [M-H]- PI(18:0_18:3) 7.639312963 859.5320402 [M-H]- PI(18:1_20:4) 7.51689537 883.532063 [M-H]- Plasmanyl-PC(O-16:1/18:1) 8.701305556 788.5794889 [M+HCO2]- Plasmanyl-PC(O-16:1/20:4) 8.039402778 810.5635474 [M+HCO2]- Plasmanyl-PC(O-16:1/22:4) 8.542775463 838.5947379 [M+HCO2]- Plasmanyl-PC(O-16:1/18:2) 8.169023611 786.5638778 [M+HCO2]- Plasmanyl-PC(O-16:1/20:3) 8.533828241 812.5788721 [M+HCO2]- Plasmanyl-PS(O-18:0/17:0) 8.671041204 762.5641589 [M-H]- Plasmanyl-PC(O-16:1/22:6) 7.852426389 834.5631175 [M+HCO2]- Plasmanyl-PC(O-16:1/20:5) 7.622310185 808.5482035 [M+HCO2]- Plasmanyl-PC(O-18:1/18:1) 9.428348611 816.6114076 [M+HCO2]- Plasmanyl-PC(O-16:1/16:1) 8.047562281 760.5491488 [M+HCO2]- Plasmanyl-PC(O-16:1/18:3) 7.892152778 784.5480096 [M+HCO2]- Plasmanyl-PC(O-16:0/16:0) 8.77087963 764.5798466 [M+HCO2]- Plasmanyl-PS(O-20:0/20:4) 8.264334259 824.5795877 [M-H]- Plasmanyl-PS(O-20:0/20:3) 8.729139815 826.5946486 [M-H]- Plasmenyl-PE(P-18:1/20:3) 8.659602083 750.5415897 [M-H]- Plasmenyl-PE(P-18:1/18:1) 8.9680775 726.5430648 [M-H]- Plasmenyl-PE(P-18:0/18:1) 9.642056944 728.5593015 [M-H]- Plasmenyl-PC(P-18:1/20:4) 8.068256019 836.5788035 [M+HCO2]- Plasmenyl-PC(P-18:0/16:0) 8.80654213 790.5951044 [M+HCO2]- Plasmenyl-PE(P-18:1/22:6) 8.049316667 772.5271415 [M-H]- Plasmenyl-PE(P-18:1/22:5) 8.254900463 774.5425602 [M-H]- Plasmenyl-PE(P-18:1/20:5) 7.814328241 746.511174 [M-H]- Plasmenyl-PS(P-18:0/20:4) 8.038138426 794.5326071 [M-H]- Plasmenyl-PS(P-16:1/22:5) 8.205376126 790.5004143 [M-H]- Plasmenyl-PE(P-16:0/16:0) 8.862561842 674.5127958 [M-H]- Plasmenyl-PS(P-16:0/20:3) 8.898435648 768.5152303 [M-H]- Plasmenyl-PE(P-16:0/18:3) 8.056900463 696.4960279 [M-H]- Plasmenyl-PE(P-16:0/22:1) 10.50723287 756.5902982 [M-H]- Plasmenyl-PE(P-16:0/17:1) 8.542398611 686.5112162 [M-H]- Plasmenyl-PS(P-16:0/22:5) 8.726193056 792.5150752 [M-H]- Plasmenyl-PE(P-18:0/22:5) 8.887768056 776.5587791 [M-H]- Plasmenyl-PS(P-18:1/20:4) 7.51867037 792.5167246 [M-H]- Plasmenyl-PS(P-16:0/22:3) 9.646356481 796.5468241 [M-H]- Plasmenyl-PS(P-16:0/22:4) 8.935302315 794.5307788 [M-H]- Plasmenyl-PS(P-20:0/20:4) 7.769693333 822.5643073 [M-H]- Plasmenyl-PS(P-16:1/22:6) 7.770534409 788.483781 [M-H]- PS(14:0_14:0) 6.546577083 678.4339324 [M-H]- PS(18:1_18:1) 7.995210648 786.5279629 [M-H]- SM(d14:0/18:1) 6.95894213 719.5325416 [M+HCO2]- SM(d18:1/16:0) 7.68036713 747.5644263 [M+HCO2]- SM(d18:1/18:1) 7.759845833 773.5796976 [M+HCO2]- SM(d18:1/16:1) 7.066293519 745.5490635 [M+HCO2]- Cer(d18:1/17:0) 8.7047125 596.5249439 [M+HCO2]- Cer(d18:1/24:1) 10.74430093 692.6192201 [M+HCO2]- Cer(d18:1/16:0) 8.346195833 582.5086959 [M+HCO2]- Cer(d18:1/18:0) 9.075358333 610.5401433 [M+HCO2]- LPE(16:0) 1.383999537 452.2772949 [M-H]- LPE(18:0) 2.501681944 480.3084168 [M-H]- LPE(20:3) 1.319728704 502.292931 [M-H]- LPE(20:4) 0.93566713 500.2773746 [M-H]- PA(22:3_22:3) 8.744766667 803.5624244 [M-H]- PC(14:0_14:0) 7.053158065 722.4967562 [M+HCO2]- PC(16:0_18:1) 8.395725417 804.5741527 [M+HCO2]- PC(16:0_16:1) 7.80208114 776.5440503 [M+HCO2]- PC(16:1_16:1) 7.300930952 774.5288238 [M+HCO2]- PC(18:3_18:3) 7.609737963 822.5270501 [M+HCO2]- PC(19:0_19:0) 10.7188225 862.6530374 [M+HCO2]- PE(15:0_15:0) 7.848209583 662.4753443 [M-H]- PE(16:1_18:0) 8.550053333 716.5219071 [M-H]- PE(16:1_17:0) 8.234426577 702.5067742 [M-H]- PE(17:0_17:0) 9.24294875 718.5381819 [M-H]- PE(17:1_17:1) 8.255391667 714.5065144 [M-H]- PE(18:0_20:4) 8.566337917 766.5380308 [M-H]- PE(18:2_18:2) 7.925629167 738.5063585 [M-H]- PG(12:0_14:0) 5.920215417 637.4080513 [M-H]- PG(14:0_14:0) 6.702461667 665.4380838 [M-H]- PG(17:0_17:0) 8.600070833 749.5322472 [M-H]- PI(18:0_18:2) 7.923150463 861.5476598 [M-H]- Plasmanyl-PC(O-16:0/20:3) 8.735302315 814.5949773 [M+HCO2]- Plasmanyl-PC(O-18:1/20:4) 8.675541667 838.595174 [M+HCO2]- Plasmanyl-PC(O-16:0/22:4) 9.046156944 840.6106458 [M+HCO2]- Plasmanyl-PE(O-16:0/18:1) 9.623715833 702.5458277 [M-H]- Plasmanyl-PC(O-18:0/20:4) 9.240105093 840.6106907 [M+HCO2]- Plasmenyl-PE(P-16:0/20:4) 8.204695833 722.511709 [M-H]- Plasmenyl-PE(P-18:1/20:4) 8.234998611 748.526997 [M-H]- Plasmenyl-PE(P-16:0/18:1) 8.93670125 700.5278199 [M-H]- Plasmenyl-PE(P-18:0/20:4) 8.877422083 750.5421781 [M-H]- Plasmenyl-PE(P-16:0/20:3) 8.720759722 724.5273578 [M-H]- Plasmenyl-PE(P-16:0/22:6) 8.006355556 746.5114119 [M-H]- Plasmenyl-PE(P-18:0/20:3) 9.455649537 752.5587667 [M-H]- Plasmenyl-PE(P-16:0/22:5) 8.426275926 748.526954 [M-H]- Plasmenyl-LPE(P-16:0) 1.667423148 436.2820953 [M-H]- Plasmenyl-PE(P-16:0/22:3) 9.252397685 752.5586705 [M-H]- Plasmenyl-PE(P-16:0/20:5) 7.768896296 720.4964916 [M-H]- Plasmenyl-PE(P-18:0/22:6) 8.666166204 774.5422895 [M-H]- Plasmenyl-LPC(P-16:0) 1.581626852 524.3342295 [M+HCO2]- Plasmenyl-LPE(P-18:1) 1.846240278 462.2978792 [M-H]- Plasmenyl-PE(P-16:0/16:1) 8.21390463 672.4958152 [M-H]- Plasmenyl-PE(P-18:1/17:0) 9.258137037 714.5435196 [M-H]- Plasmenyl-PC(P-18:1/16:1) 8.374417593 786.564037 [M+HCO2]- Plasmenyl-LPE(P-18:0) 3.058538426 464.3133527 [M-H]- Plasmenyl-LPC(P-18:1) 1.753625463 550.3505676 [M+HCO2]- PS(17:0_17:0) 8.528461667 762.5278591 [M-H]- PS(18:0_18:1) 8.572911574 788.5434833 [M-H]- SM(d20:1/16:0) 8.362119444 775.5956052 [M+HCO2]- SM(d20:1/18:0) 9.096985648 803.6270008 [M+HCO2]- SM(d22:0/20:3) 9.104355093 855.6586342 [M+HCO2]- SM(24:1) 1.865589167 607.4081834 [M+HCO2]- SM(33:1) 7.334356944 733.5491763 [M+HCO2]- SM(34:0) 7.933092593 749.5789821 [M+HCO2]- SM(38:2) 8.432364352 801.6119546 [M+HCO2]- SM(40:1) 9.888975463 831.6587696 [M+HCO2]- SM(40:2) 9.148378704 829.6427906 [M+HCO2]- SM(41:1) 10.33746759 845.6744361 [M+HCO2]- SM(41:2) 9.421603241 843.6602703 [M+HCO2]- SM(42:1) 10.83625093 859.690004 [M+HCO2]- SM(42:2) 9.81180463 857.6740543 [M+HCO2]- METABOLITES_END #END