#METABOLOMICS WORKBENCH jwalejko_20180910_135540 DATATRACK_ID:1497 STUDY_ID:ST001061 ANALYSIS_ID:AN001732 PROJECT_ID:PR000711 VERSION 1 CREATED_ON September 21, 2018, 2:33 pm #PROJECT PR:PROJECT_TITLE Multi-omics Approach Reveals Metabolic Changes in the Heart at Birth PR:PROJECT_SUMMARY During late gestation, the fetal heart primarily relies on glucose and lactate PR:PROJECT_SUMMARY to support rapid growth and development. While numerous studies describe changes PR:PROJECT_SUMMARY in heart metabolism a few weeks after birth to preferentially utilize fatty PR:PROJECT_SUMMARY acids, little is known about metabolic changes of the heart within the first day PR:PROJECT_SUMMARY following birth. Therefore, we used the ovine model of pregnancy to investigate PR:PROJECT_SUMMARY metabolic differences between the near-term fetal and the newborn heart. Samples PR:PROJECT_SUMMARY were collected for metabolomic, lipidomic, and transcriptomic approaches from PR:PROJECT_SUMMARY the left and right ventricles and intraventricular septum in 7 fetuses at PR:PROJECT_SUMMARY gestational day 142 and 7 newborn lambs on the day of birth. We observed greater PR:PROJECT_SUMMARY abundance of metabolites involved in butanoate and propanoate metabolism, and PR:PROJECT_SUMMARY glycolysis in the term fetal heart (FDR-corrected p<0.10) and differential PR:PROJECT_SUMMARY expression in these pathways were confirmed with single-sample gene set PR:PROJECT_SUMMARY enrichment analysis (ssGSEA) (FDR-corrected p<0.05). Immediately following PR:PROJECT_SUMMARY birth, newborn hearts displayed enrichment in purine, fatty acid, and PR:PROJECT_SUMMARY glycerophospholipid metabolic pathways, as well as oxidative phosphorylation PR:PROJECT_SUMMARY with significant alterations in both lipids and metabolites to support PR:PROJECT_SUMMARY transcriptomic findings. While other studies suggest a switch from carbohydrate PR:PROJECT_SUMMARY metabolism to fatty acid metabolism in the neonatal heart in as early as 2 weeks PR:PROJECT_SUMMARY following birth, our data show that this metabolic switch in the heart begins by PR:PROJECT_SUMMARY the first day of postnatal life. A better understanding of metabolic alterations PR:PROJECT_SUMMARY that occur in the heart following birth may improve treatment of neonates at PR:PROJECT_SUMMARY risk for heart failure. 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 Near-Term Fetal and Newborn Sheep Cardiac Tissue ST:STUDY_TYPE Comparison ST:STUDY_SUMMARY Cardiac tissue from near-term fetal and newborn sheep were compared via NMR ST:STUDY_SUMMARY metabolomic analysis ST:INSTITUTE University of Florida ST:DEPARTMENT Biochemistry & 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 14 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Ovis aries SU:TAXONOMY_ID 9940 SU:AGE_OR_AGE_RANGE 142 days gestation (fetal); Within 24 hours of birth (newborn) #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS 1355A 1355A_RV Age:Fetal | Sex:Male SUBJECT_SAMPLE_FACTORS 1355B 1355B_RV Age:Fetal | Sex:Male SUBJECT_SAMPLE_FACTORS 1555 1555_RV Age:Fetal | Sex:Male SUBJECT_SAMPLE_FACTORS 1237A 1237A_RV Age:Fetal | Sex:Male SUBJECT_SAMPLE_FACTORS 1562 1562_RV Age:Fetal | Sex:Male SUBJECT_SAMPLE_FACTORS 1237B 1237B_RV Age:Fetal | Sex:Female SUBJECT_SAMPLE_FACTORS 1477 1477_RV Age:Newborn | Sex:Male SUBJECT_SAMPLE_FACTORS 1462 1462_RV Age:Newborn | Sex:Male SUBJECT_SAMPLE_FACTORS 1481 1481_RV Age:Fetal | Sex:Female SUBJECT_SAMPLE_FACTORS 5562A 5562A_RV Age:Newborn | Sex:Female SUBJECT_SAMPLE_FACTORS 1767A 1767A_RV Age:Newborn | Sex:Female SUBJECT_SAMPLE_FACTORS 5562C 5562C_RV Age:Newborn | Sex:Female SUBJECT_SAMPLE_FACTORS 1767B 1767B_RV Age:Newborn | Sex:Female SUBJECT_SAMPLE_FACTORS 5562B 5562B_RV Age:Newborn | Sex:Male #COLLECTION CO:COLLECTION_SUMMARY Ewes were assigned to one of two groups: (1) a fetal group (n=7, 3 singleton and CO:COLLECTION_SUMMARY 2 multiple gestation pregnancies); (2) a newborn group (n=7, 2 singleton and 2 CO:COLLECTION_SUMMARY multiple gestation pregnancies). Heart tissue was collected from the right CO:COLLECTION_SUMMARY ventricle (RV), left ventricle (LV), and intraventricular septum (IVS) on the CO:COLLECTION_SUMMARY day of birth (newborn group) or at gestational day 142 (fetal group) and CO:COLLECTION_SUMMARY immediately frozen in liquid nitrogen. Samples were stored at -80 °C until data CO:COLLECTION_SUMMARY 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 NA #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). 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 uL 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:IONIZATION Heated electrospray MS:SPRAY_VOLTAGE 1500 MS:RESOLUTION_SETTING 70,000 MS:SCAN_RANGE_MOVERZ 200-2200 m/z #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative peak area MS_METABOLITE_DATA_START Samples 1355A_RV 1355B_RV 1555_RV 1237A_RV 1562_RV 1237B_RV 1477_RV 1462_RV 1481_RV 5562A_RV 1767A_RV 5562C_RV 1767B_RV 5562B_RV Factors Age:Fetal | Sex:Male Age:Fetal | Sex:Male Age:Fetal | Sex:Male Age:Fetal | Sex:Male Age:Fetal | Sex:Male Age:Fetal | Sex:Female Age:Newborn | Sex:Male Age:Newborn | Sex:Male Age:Fetal | Sex:Female Age:Newborn | Sex:Female Age:Newborn | Sex:Female Age:Newborn | Sex:Female Age:Newborn | Sex:Female Age:Newborn | Sex:Male Cer(d18:1/16:0) 791778.4421 784366.3334 839513.1825 501893.2402 545275.0276 395639.8233 798348.0698 996030.7641 630979.3075 347868.1323 700802.2555 595028.5729 241206.6596 713963.3909 Cer(d18:1/17:0) 60896189.92 44148266.88 46469969 40745927.01 60733668.39 69109043.78 62863872.16 16221713.06 43871390.14 69450767.63 60258609.56 48201460.33 14534805.51 45492627.56 Cer(d18:1/18:0) 934612.6535 758262.1685 783573.1454 511363.7787 528612.176 433515.5727 590002.1635 859036.5391 823343.1578 239523.7599 485977.9511 458114.4915 162646.4761 512791.7754 Cer(d18:1/24:0) 894275.7564 752320.3899 1032441.943 685767.8557 722209.3568 763899.7391 900729.6485 1155936.656 786560.8343 187793.6266 646301.9443 609089.9434 193002.8675 748280.1417 Cer(d18:1/24:1) 2001492.019 1554071.19 1667792.794 1160523.237 1305980.208 1008670.13 1815860.035 1844646.53 1294874.009 392582.2602 1193788.003 965841.1185 277886.4432 1229540.998 CL(16:1_18:1_18:1_18:1) 4706371.125 3228247.717 5531449.439 2944807.277 3386515.21 2610574.951 3024288.527 1680057.65 3070781.731 1739939.747 3470607.91 2126786.731 1171760.05 2908329.207 CL(16:1_18:1_18:1_18:2) 2881764.733 2582541.369 2137144.955 1430518.951 1506468.725 869650.5497 1893660.655 2725106.803 1842524.167 1130261.955 1745788.549 1772850.758 764372.1341 2259767.116 CL(16:1_18:1_18:1_20:1) 3053388.026 1837441.203 3352559.619 2641170.421 2191339.802 1703883.078 717709.0905 171665.6004 1971221.273 1532244.779 1881271.094 1278383.073 515214.3301 1541699.75 CL(16:1_18:1_18:2_18:2) 409624.4403 429914.8498 166442.3462 99630.11987 163196.1868 74166.98472 143704.2889 336625.9985 229275.4236 193723.8456 188137.3816 375104.726 42355.71792 349744.4405 CL(18:0_18:0_18:1_20:2) 12156613.66 11713955.13 17522063.35 7831812.442 11803506.15 10746812.62 12743126.52 11329017.77 10948731.76 4576542.29 15000770.45 6675335.671 4627951.492 6613200.469 CL(18:1_18:1_18:1_18:1) 4953156.06 2930036.585 5770238.809 4305812.788 3587237.122 2890779.191 2321397.469 693809.9549 3314659.922 2440280.621 3509252.019 2003006.403 1022874.603 2539892.82 CL(18:1_18:1_18:1_18:2) 7506234.429 5936114.476 5118017.437 4863772.909 4175630.539 2810813.327 4107213.507 4421618.189 4910354.089 4296384.621 4948001.269 4387878.537 1821504.482 4855003.464 CL(18:1_18:1_18:1_20:3) 681304.0835 565051.4717 553048.33 583510.2894 468667.261 375039.6331 365251.5978 395329.6315 430201.194 439209.1462 376533.2664 495368.6446 103883.1886 448304.4569 CL(18:1_18:1_18:2_18:2) 2993460.507 2899968.694 1389633.403 1653606.781 1332644.873 685925.741 1576693.589 3895131.514 1958128.08 1755239.696 1601895.442 2633609.107 802346.0709 2534346.502 CL(18:1_18:1_18:2_18:3) 365470.84 469599.5335 90249.66559 154481.3054 135834.5557 66801.20752 96983.33779 376515.3557 215465.8639 276798.3964 172576.7421 473149.6053 67944.269 402849.2532 LPC(16:0) 3873053.71 3655744.462 5247101.89 4067153.066 4138753.11 4078830.788 6138161.318 6521972.149 7062170.186 467597.8048 3354912.938 3551156.835 796432.963 3651216.233 LPC(17:0) 27210333.93 19635703.08 22178300.88 18213052.92 26744827.1 33877910.63 27898269.13 7490208.793 14879179.47 27504276.51 25708209.28 20951138.26 6088392.623 17316404.62 LPC(18:0) 887565.5266 779938.8466 1056709.055 776678.9494 729078.7235 916074.6237 835261.3012 975618.89 919790.7461 157364.5115 624521.2893 778186.385 177351.4283 888571.725 LPC(18:1) 2840673.035 2027740.018 3481990.169 3002424.41 2090836.536 4262110.501 5438704.805 1917068.249 4954690.967 412935.2298 5327359.042 1818327.982 607759.4671 1310738.631 LPC(19:0) 66610190.07 14371543.73 42537720 46114052.09 17571331.47 79246016 24474866.93 45153006.61 45817295.55 28779408.59 41981325.81 60636241.66 41088763.83 42972811.42 LPE(16:0) 419432.9467 402728.4756 570600.3511 389247.48 457318.1916 565115.5925 931701.0043 752250.815 625911.8968 47277.30022 586427.454 455125.7453 118989.1441 480316.5987 LPE(18:0) 2273305.83 1989806.496 2847322.628 2355531.182 2021109.922 2938582.942 2857250.282 3164281.451 2858260.24 252655.6696 2822111.817 2881202.374 866073.0073 2629389.284 LPE(18:1) 1582695.673 545558.148 2073156.293 572124.019 669132.3884 802523.6553 4380725.652 1100818.527 3138408.977 194345.7244 3398544.375 724582.5167 491981.6597 601538.2296 LPE(20:3) 458341.7971 319611.2889 379048.2732 293421.4303 260343.303 248235.8806 1099917.36 313937.9388 831246.7454 50157.6402 767802.0081 228579.6067 70920.52635 183716.7664 LPE(20:4) 1158323.431 1001761.402 1079546.529 1170273.232 939211.5878 780205.2836 2323384.78 1248303.885 2207178.771 230159.4235 1307641.31 1086846.127 295047.2761 701359.123 PA(22:3_22:3) 2885251.053 592001.6905 1265152.684 1636030.471 951146.2823 1277992.273 1707850.521 1660658.745 1485316.297 541580.6169 2048322.068 964149.5345 138985.1602 1356795.45 PC(14:0_14:0) 14409.56988 33085.09332 100748.3361 9817.13129 58560.10086 30843.00997 599227.5346 526160.6226 25526.03676 59644.76184 153338.0662 187301.1765 66815.00418 248859.6417 PC(14:0_16:0) 1112409.882 1568448.276 3099144.589 1122288.52 1748395.988 1717021.416 5061269.573 4786786.577 1215466.755 860150.172 2316350.209 2184603.985 884390.7512 2811733.841 PC(16:0_16:1) 9883180.143 10028801.66 19197864.51 7851011.061 10285807.67 9946021.915 12810865.86 8961803.214 9925186.122 2126078.622 7199243.467 4840830.16 2266105.445 5614843.103 PC(16:0_17:1) 3880940.409 3635980.25 5153476.333 2225157.307 2565948.329 2285326.184 2981766.972 2038764.869 3397059.221 499680.3909 2372530.587 904578.108 550849.8436 1195552.002 PC(16:0_18:1) 140562374.7 118098513.5 153121209.3 100043687.2 106914938.8 96910705.06 109428204.5 102682851.1 129280533.1 34328455.52 103186643.3 64703823.53 29162905.93 67996486.69 PC(16:0_18:2) 12290560.56 14276080.49 19394194.67 10148904.98 10971141.33 10289030.93 24729553.57 27341438.63 13235804.67 7060336.574 18386215.08 18250944.13 7146496.957 20656221.28 PC(16:0_18:3) 2266205.137 2181403.032 2353430.727 1128938.014 1113106.478 1080035.17 1754023.919 2423812.822 1824556.574 609970.1687 1568516.976 1495944.668 605641.0188 1342915.414 PC(16:0_20:3) 11248964.91 9477831.264 7712453.268 5472050.734 6431914.156 5319236.745 5357171.894 7699322.495 7585995.317 2982847.11 4281718.11 5653163.005 1823808.85 4619498.463 PC(16:0_20:4) 17847189.47 18210143.49 13084251.33 12064149.7 13075309.56 9192446.848 8000627.398 17538706.85 13799312.26 6475330.298 4611360.853 13333575 2815170.976 9563827.497 PC(16:0_20:5) 1356221.317 1195482.258 1136172.096 1647997.017 1266062.084 1422739.037 1178190.164 2614281.136 1086410.704 406523.6768 1068849.308 983693.0856 634880.7399 757298.1632 PC(16:0_22:3) 2049529.617 2159957.933 1403573.999 941943.0287 1549959.171 1342487.981 957915.8715 1097975.807 1408509.221 491060.0286 664742.8641 1047908.666 243207.141 1018433.836 PC(16:0_22:6) 2774660.994 2536490.739 1804669.292 2343151.607 2209149.069 1501036.988 1186108.608 3301020.649 1751836.156 606838.7532 968039.0075 1283405.428 709535.8194 818806.5509 PC(16:1_16:1) 321379.2453 340128.0432 727885.0604 148294.4895 236459.8901 298537.4276 646150.4944 649059.6464 328433.1992 69148.38875 307815.009 316948.9273 116482.8431 426271.1757 PC(17:0_17:0) 16037065.83 12138046.6 13061048.53 10574799.74 15482185.35 18451871.73 16061363.38 5000301.667 7329820.178 16909775.08 14835738.97 12654994.05 3926693.821 9924440.052 PC(17:0_18:1) 5294282.311 4415795.047 4531482.115 2551946.061 2762349.612 2232779.881 3151846.915 2823552.244 3714668.495 918642.4492 3199256.15 1658536.667 788340.9205 1698147.861 PC(17:1_18:1) 1920741.774 1636869.559 2086206.957 917021.9771 1077184.065 938257.0374 1655584.895 1458052.633 1327985.418 404955.477 1690486.503 779933.4639 402771.3574 937616.2107 PC(18:0_18:1) 31901757.08 24854661.28 34429464.45 22042196.86 22907132.07 25553266.21 19810025.62 15912896.83 19932173.85 9398227.401 22688362.07 14645717.33 5739435.655 16322593.1 PC(18:0_20:3) 3438302.366 2797626.976 2476815.46 1687789.385 2013153.745 1805762.344 1103541.893 1603207.233 1632170.305 1118501.182 1111550.507 1641192.052 534065.0356 1372496.045 PC(18:0_20:4) 5296620.48 5396350.618 4127956.234 3441451.605 4296041.004 3439305.932 1910535.702 3662299.152 2633645.162 2617693.417 1782748.794 4555438.675 884524.5025 3254079.256 PC(18:0_22:4) 546350.4122 561304.9603 454440.3981 234297.5829 396625.2928 352085.0306 98956.22951 232585.467 331357.3577 150653.3456 111858.3357 349037.9296 15776.67073 251788.1508 PC(18:0_22:5) 783937.0819 832659.2509 847823.9588 793023.5532 662110.5938 829611.513 388510.0998 700655.3184 612922.8072 368801.9078 482155.2647 573517.3356 201261.4472 406733.2492 PC(18:0_22:6) 732001.9379 662053.809 522280.2643 602145.6305 562247.9491 468706.1328 194565.6279 539974.6221 311990.2323 193074.6769 220921.2741 324406.7407 161817.5868 225569.9971 PC(18:1_18:1) 37263081.78 28656214.8 37564542.23 21109344.54 25215240.19 22787730.71 27885209.19 24226319.28 24773958.98 12338896.21 36802161.25 19595346.79 8672898.067 21268323.22 PC(18:1_18:2) 2882500.845 5595512.825 3151825.482 3908081.259 1564548.193 3479330.277 4624416.092 8892750.025 1793572.476 2978349.649 7450662.723 6451343.484 2525040.508 7265275.608 PC(18:1_20:1) 1498316.109 1306584.198 1721793.258 1126677.747 1236494.214 1385639.543 861721.75 612727.9015 986246.5973 420343.1841 1074793.127 739302.1478 237750.5284 726142.0955 PC(18:1_20:3) 3175792.151 2996773.282 2343685.952 1465187.669 1976647.921 1536993.703 1319214.863 1923600.141 2054645.424 901448.378 1264009.462 1676257.931 328463.2606 1305958.685 PC(18:1_20:4) 5924826.332 6254941.81 5569036.629 4363030.191 4392166.673 3981231.821 3481801.116 7226570.105 4903053.154 2386589.864 3432454.904 4137563.642 1435660.634 3517407.971 PC(18:1_20:5) 364413.6731 362461.5447 357488.2684 309256.6599 283872.3168 307809.4002 292124.3737 744616.7514 248936.5809 144388.2885 373278.5933 402891.6842 111900.2256 356573.6506 PC(18:1_22:5) 409480.5188 367376.1317 628951.5765 330117.0034 322140.4099 373271.1199 248862.7659 540034.0187 383433.3338 132374.651 372897.6306 273853.9762 99979.07681 159466.9975 PC(18:1_22:6) 698201.631 577621.876 524065.7355 405857.6696 502125.9758 351619.3014 208558.7212 556491.665 299191.3113 125139.2103 288976.967 257665.022 129835.0151 175041.214 PC(18:3_18:3) 2507491.796 719567.4894 1096836.716 846433.0591 590581.2367 531210.1842 691076.9156 1956960.072 1289019.37 369116.4745 1071093.591 1385661.19 101523.9114 1639210.078 PC(19:0_19:0) 29599190.23 4299226.889 15403195.31 17524953.2 6465344.011 35781617.39 9920030.174 18059267.93 13550368.63 12121781.3 17874151.64 20111846.03 14747993.46 18461758.34 PE(15:0_15:0) 20815925.27 18154546.76 19133527.49 13968929.27 24412811.39 28048017.77 23493720.16 6120042.62 9086027.495 25476229.99 21158401.61 17350078.11 7129814.196 12717205.21 PE(16:0_20:3) 1343257.285 1498940.087 1466948.369 524373.8967 894682.9983 773712.7828 853862.2547 900762.2075 873719.5109 309430.4349 954560.823 821979.3634 402342.1882 682772.4893 PE(16:0_22:6) 821701.7056 1008011.325 856923.7166 578497.8541 888839.9365 609289.3035 676079.2912 1277420.475 457085.4053 296041.0733 555352.8369 459967.4676 332977.3653 370399.1348 PE(16:1_17:0) 157997.8738 169001.6974 234975.9949 104774.9383 134982.7433 111469.3252 198870.8301 115246.1279 133353.6483 20550.84309 118831.3517 43377.90722 29085.74672 49022.35667 PE(16:1_18:0) 7084904.056 6959326.028 9845114.694 4570512.395 7125274.564 6499423.789 8937659.89 6898244.528 5504477.819 2197834.546 7135322.006 3591343.519 2162898.421 3708975.642 PE(16:1_18:1) 892834.9583 1012696.38 1800017.465 681629.7005 1044602.058 980808.7505 1739417.164 1707389.893 945847.3369 280643.6485 1257886.364 700194.0983 453416.2413 767059.009 PE(17:0_17:0) 54371900.3 8608703.296 28244119.7 35662634.8 12302961.71 62510430.75 18884943.14 35397013.65 25644926.15 24813183.2 33492359.85 38578921.29 29714560.2 35055276.85 PE(17:0_18:1) 995646.852 890602.9649 1133008.049 578950.7171 771615.78 678695.818 1005800.8 775216.3825 685292.3488 229832.8056 977766.5772 339354.1815 282338.2612 339586.3994 PE(17:0_20:4) 823013.9135 1011408.677 805555.4573 398941.4769 498534.3263 331530.028 452590.6464 686305.2724 618514.6372 139475.7371 321010.4722 346419.4605 115338.988 426959.2002 PE(17:1_17:1) 141844.2516 187310.5627 188528.8273 30019.91483 132723.9304 78526.90857 178455.6338 102231.0779 104024.247 28405.7317 135782.4847 50288.75737 13657.17909 80144.902 PE(17:1_18:1) 1057222.514 1017789.881 1085189.305 777832.475 803741.5718 564323.8169 878007.0809 736538.0891 945085.8104 171146.0758 690443.2678 297414.6972 98680.12471 393358.5641 PE(18:0_18:1) 18628159.95 13665722.77 21809991.67 14199258.7 15793176.45 18438227.87 17783630.81 14305331.88 11552116.45 6697220.97 17362005.24 9005235.883 6880716.301 7793433.506 PE(18:0_20:2) 867096.1362 790492.1646 1083079.186 529128.5637 419166.0069 783123.6846 408676.1967 464040.7789 460554.4969 243944.1892 778775.7823 446547.0424 271781.0362 394447.2554 PE(18:0_20:3) 8734460.806 9623103.567 11017930.34 4449874.173 6224223.634 5904212.763 4702507.966 5776317.678 6093011.208 2348061.979 6786962.473 5441815.87 2864121.425 4716023.829 PE(18:0_20:4) 24870782.13 30908506.93 28428842.38 15136768.1 19452852.44 14632628.67 13516981.01 23456477.35 16428571.47 11033039.18 17845263.03 26516163.04 8748379.471 18544571.51 PE(18:0_20:5) 1167861.308 1353634.082 1092767.094 891265.8334 1182176.17 1295620.044 808330.3936 1492062.589 773495.2691 508061.2924 1243980.721 1200092.028 658971.667 853319.0189 PE(18:0_22:3) 1190685.032 1170993.285 1149574.692 634017.0326 905681.8735 1107588.909 620665.9329 687540.971 671661.9126 394942.4019 843226.4061 633584.5866 315816.5522 528932.5281 PE(18:0_22:4) 1180464.04 1302151.349 1343730.787 742593.2925 1094724.044 1003836.09 586730.627 907920.3584 605685.6183 569043.6934 567339.8778 1023247.088 257089.9113 775575.3498 PE(18:0_22:5) 1331059.551 1324746.959 1656497.706 1484414.906 1495096.838 2182342.206 1241731.493 1729760.34 780645.1664 626744.5399 1621491.918 1157686.943 860481.6931 775968.954 PE(18:0_22:6) 3758406.178 3572556.3 2736411.904 3274047.381 3697693.105 3245399.785 2050678.744 4001967.336 1543590.813 1126761.073 2454189.055 2346093.281 2369264.991 1465204.951 PE(18:1_18:2) 897492.2127 909517.5221 1392450.67 740429.5282 819111.0844 735068.1826 1956270.655 2593034.361 957604.8641 596055.3541 2504881.784 1275872.904 952170.551 1435786.585 PE(18:1_20:1) 1340039.886 880534.266 1888716.265 970974.7053 860585.8598 747134.4023 374324.3373 878702.1145 571845.1673 459090.0466 1209139.784 744772.1188 439787.0796 677724.8859 PE(18:1_20:4) 5079354.635 5832497.785 6129683.778 2709539.305 4080707.157 3021196.245 2794268.169 5040421.295 3760743.188 2015376.818 3604306.465 4496330.697 1579210.927 3983511.532 PE(18:1_22:6) 894852.2547 1016189.549 857664.1673 678805.8205 859356.059 574512.2057 408730.0156 1040399.012 470321.4784 221721.2537 613429.7772 498354.8081 400273.1801 293053.8164 PE(18:2_18:2) 3079419.654 4182130.151 3578717.056 1524785.512 2697604.004 1879858.92 2085501.169 3540055.452 2210857.431 964239.2639 1894907.535 2712356.322 817123.3433 2261154.635 PE(18:2_20:4) 259189.4804 257072.4513 293004.6229 232676.9847 251491.1749 275675.5718 209608.3415 527119.7494 121196.8415 111152.1991 438822.6956 223746.2612 197183.0942 193522.1909 PG(12:0_14:0) 220674.8271 157865.2361 178446.6584 134152.79 226833.2566 263112.7811 233576.8278 55073.40932 151279.1161 265849.9786 222868.002 180014.4341 49454.28651 140073.5269 PG(14:0_14:0) 37609453.29 27853568.75 29925964.44 25928389.46 38478342.47 42464188.48 39233090.7 10173276.48 25608368.57 42913377.82 37885745.27 30277077.73 10105691.54 23982959.35 PG(16:0_18:1) 10931780.71 10717770.74 11067581.24 7352262.324 8923941.842 6063861.212 8145259.608 10567630.32 8712800.69 3023461.857 7099612.963 6347262.859 2950158.889 4928511.538 PG(17:0_17:0) 55275990.73 13387896.45 27938839.74 40796418.26 15296981.41 60359099.45 23425023.77 38576353.46 32324375.05 30544242.64 35375342.18 43093225.09 32565012.63 39915305.1 PG(18:0_18:1) 2994036.643 2821458.389 2985199.887 2158284.783 2163344.074 1587187.945 1841934.15 2919767.054 2369545.724 893097.9271 1604289.385 1798998.368 778222.3903 1369153.232 PG(18:1_18:1) 876456.7453 696769.1066 589826.0749 404055.4393 484148.7256 390110.0498 108331.6984 64153.83156 492865.7334 46920.02707 298058.8725 167386.9555 43802.60037 234055.3443 PI(16:0_18:1) 1481509.611 1593696.766 2961249.627 1602183.909 1669722.982 854471.2566 2120779.888 1811010.816 1496824.459 511647.8528 1054701.669 782438.8245 392646.6996 899798.4412 PI(16:0_20:3) 711863.7747 625076.959 985439.5439 571316.0546 612820.8158 295141.4483 699866.8015 772354.201 596963.4578 152833.2942 434717.8146 339398.3801 196438.0832 502326.0112 PI(16:0_20:4) 259652.7462 322316.4747 495935.5617 297441.5068 324139.1265 118452.7715 547748.6757 974451.4719 201664.4123 165851.2255 190346.7231 414014.5806 98614.25741 420266.9554 PI(18:0_18:1) 5048126.797 4239004.606 4978610.931 3446598.309 3412590.558 1405687.574 2400373.289 2894938.46 3692600.787 1661048.891 2843091.44 2177674.135 683956.0626 2217860.059 PI(18:0_18:2) 3579203.226 3051463.604 6103855.557 3050570.824 3298302.177 1608403.265 3324719.407 2566244.701 2744371.218 1256222.529 3037695.875 1791300.278 651904.4837 2257333.51 PI(18:0_18:3) 101279.6239 108528.1003 215944.4232 69283.47647 89519.80093 36804.3311 129369.4848 144196.6263 67277.50229 24863.57694 125347.7557 67582.71441 23925.69889 89256.79243 PI(18:0_20:3) 8134375.334 6275438.689 6162136.724 4974936.128 4469596.623 2044516.96 3567700.443 4926616.649 4549527.149 1796488.721 3329682.479 2781390.097 1195576.564 2882764.45 PI(18:0_20:4) 6718901.577 6714882.449 7072050.877 5251300.564 5348413.545 2159203.643 3348362.95 7254525.936 3828701.549 3154707.594 3239798.589 5360498.729 1313038.674 4829082.014 PI(18:0_20:5) 864768.5537 1138226.174 1194844.172 797790.5876 915357.9044 373128.7661 1032319.859 1796289.7 482907.402 542101.8331 602342.2241 937506.417 239227.0564 1007627.805 PI(18:1_20:4) 157509.0435 160503.592 241399.3945 164355.4363 171065.9064 124155.993 230610.5838 482811.6356 93849.90055 74703.19308 245143.0641 170733.2261 79366.45713 173552.885 Plasmanyl-PC(O-16:0/16:0) 541192.7041 601441.4695 1577501.059 574924.485 574272.6998 381921.2617 271919.8657 366180.4522 466854.0646 181428.2377 364453.4254 343731.19 69873.57433 436088.6115 Plasmanyl-PC(O-16:0/20:3) 4632439.399 4124536.841 3973182.33 2118622.592 2512607.186 2114006.926 1992663.319 2141711.193 2747104.938 826184.9406 2876318.587 1756900.872 746440.8289 1518654.408 Plasmanyl-PC(O-16:0/22:4) 1213202.15 1358423.701 650454.4195 509681.8915 708872.7507 597615.2111 392732.044 550765.0819 839323.2802 230581.5551 334771.7578 474731.9434 59770.09915 446844.8075 Plasmanyl-PC(O-16:1/16:1) 1138129.583 971812.9416 1739862.674 632690.5104 814172.7739 763750.1856 602739.3915 480902.5187 773064.9995 82888.52891 637787.3208 291123.1987 168019.913 393309.8945 Plasmanyl-PC(O-16:1/18:1) 27504745.39 22074007.19 26828905.59 13066719.57 15284203.1 14521312.28 13681538.56 11726333.46 18738824.26 3904912.513 16298696.13 7540237.326 4114044.71 8400571.807 Plasmanyl-PC(O-16:1/18:2) 2670275.45 2476900.165 2650101.401 1490316.543 1368458.611 1230050.051 1667439.308 2204564.122 1918111.335 590309.9005 1749466.497 1315951.675 655261.6456 1837546.149 Plasmanyl-PC(O-16:1/18:3) 876401.0127 911863.9662 944876.4937 414916.7632 452983.2894 344082.0253 415244.662 733050.4571 597024.5733 137201.1507 301328.3387 485152.1706 149847.9245 338657.6962 Plasmanyl-PC(O-16:1/20:3) 7250802.543 7227457.009 6092831.898 3801052.867 3938679.532 2876627.426 3120258.541 5853767.97 4980024.846 1970491.423 2594322.505 4030170.033 1568456.17 2848776.294 Plasmanyl-PC(O-16:1/20:4) 13756564.86 14793081.04 11527033.38 10264663.14 9315114.014 5707860.916 4983053.756 14106032.36 10416756.8 4844779.492 3460682.642 10304860.27 2532363.984 7392452.388 Plasmanyl-PC(O-16:1/20:5) 923945.7986 979717.0025 901495.5638 1406551.89 824774.7 855109.1876 711759.0356 1951618.416 758026.0892 306772.7757 744096.7225 698068.5609 530321.048 555518.5167 Plasmanyl-PC(O-16:1/22:4) 3078003.287 3229639.064 2267180.137 1734761.956 1913481.969 1221264.749 1093489.121 1480429.618 1921691.965 992967.6401 977848.7756 2116938.995 416366.5085 1073664.906 Plasmanyl-PC(O-16:1/22:6) 1918060.326 1797546.24 1312424.482 1896744.065 1379031.267 888890.6055 689488.0889 2606858.678 1253755.877 438816.3706 712118.6262 984348.6748 601097.8819 558879.1858 Plasmanyl-PC(O-18:0/20:4) 446414.7978 403239.2544 263855.5321 118231.2872 217870.5339 140472.4858 155429.9951 283054.1049 303253.7717 83305.47727 107793.5176 161436.1517 27910.86237 161582.2018 Plasmanyl-PC(O-18:1/18:1) 1568028.255 1347050.747 1259715.596 746275.9358 993241.1737 1042406.238 722745.0805 539077.4454 1014480.374 184078.3743 738482.6869 431618.1307 123081.915 492944.4555 Plasmanyl-PC(O-18:1/20:4) 851911.4747 837019.7143 552778.2059 518376.5453 511737.8885 332939.7385 303954.8006 739501.8851 578215.0957 294865.086 243341.292 624799.3776 119179.5733 296165.3784 Plasmanyl-PE(O-16:0/18:1) 491249.7093 434309.0326 559759.4695 483185.8862 331385.1895 398091.0893 306301.1206 256861.9151 287606.4036 147270.6414 249039.4365 343276.7233 152263.3858 315370.5707 Plasmanyl-PS(O-18:0/17:0) 1744952.013 1733622.8 2966559.57 1604945.392 1441153.405 1393054.1 826492.1176 958080.0601 1099975.572 387044.2419 1019737.137 867440.0108 308474.8021 842852.0162 Plasmanyl-PS(O-20:0/20:3) 328726.5841 361688.5765 174178.5922 43734.03651 156700.5075 80652.37645 95902.69743 207223.7302 164354.2787 29296.90238 97369.23175 128857.9176 9403.377306 106148.464 Plasmanyl-PS(O-20:0/20:4) 432470.7403 380417.9425 243778.992 238348.4395 87441.82222 126183.4166 114420.6715 464290.4272 229952.5288 63273.68636 57728.41061 216317.4685 39034.91975 143104.1075 Plasmenyl-LPC(P-16:0) 1057819.233 1108111.65 1535219.407 1197417.493 1003760.678 905360.9192 944058.787 1484485.024 1741050.724 122459.5045 554779.7738 858232.5969 192062.8201 881809.1757 Plasmenyl-LPC(P-18:1) 107212.8738 111662.8099 149668.843 111460.1289 103314.2339 100724.366 82243.73914 131791.2744 161301.2271 4329.570041 69028.05188 83070.42321 10886.16613 85735.32806 Plasmenyl-LPE(P-16:0) 1974753.584 2039984.75 3981627.864 2716812.486 2118850.23 2560038.903 2266222.213 3373562.737 3594750.771 231233.0148 1638068.157 1843879.885 714370.7372 2022078.176 Plasmenyl-LPE(P-18:0) 477796.1679 459428.062 675068.8971 467128.3205 332862.5197 395663.4439 448818.396 648781.8373 720000.9943 47970.27661 268323.44 372859.35 129452.9617 377373.0819 Plasmenyl-LPE(P-18:1) 804549.1424 857194.5594 1338937.717 954084.4729 814436.1905 868959.0375 828414.8021 1037214.029 1019117.9 54470.43336 611406.0713 614343.8562 251861.9712 676727.1167 Plasmenyl-PC(P-18:0/16:0) 4575766.587 3646809.513 5685829.13 2691075.633 2733963.135 1677002.825 2272724.92 2715206.742 3456610.544 903989.1433 2459210.837 2003206.132 510983.8793 2127888.395 Plasmenyl-PC(P-18:1/16:1) 1378137.276 1117764.666 1127896.171 337922.4205 522003.48 284034.099 406341.0705 489954.8352 600340.4607 174751.7435 510706.9032 268796.1191 190946.9774 412882.1822 Plasmenyl-PC(P-18:1/20:4) 3905799.112 4321295.105 3922327.356 3657055.214 2873608.499 2251795.6 2153308.995 5247984.988 3263308.116 1389925.065 2136355.827 3036246.344 1093762.109 2001142.675 Plasmenyl-PE(P-16:0/16:0) 1026147.888 1088354.281 2065402.385 1188977.468 858748.491 1120519.71 726256.9725 558634.9744 654904.9215 252219.5208 607419.7668 663385.1324 303535.2282 677192.7258 Plasmenyl-PE(P-16:0/16:1) 1017334.933 1095398.855 2580924.399 672983.4836 900480.8534 963218.7771 815930.0813 635363.0679 809462.8154 161829.9673 789208.2327 366560.2399 315743.8072 455823.0799 Plasmenyl-PE(P-16:0/17:1) 718806.9602 702227.3749 1169097.985 357887.9042 472747.1721 458329.2228 445106.7785 389432.3309 450915.6253 80254.62857 466670.7779 168974.0232 130409.3125 182386.4135 Plasmenyl-PE(P-16:0/18:1) 25755595.18 24702557.37 38038976.29 15848366.73 19356771.37 18119200.91 14452768.76 13701711.17 16992760.61 5023599.26 15251107.09 8696071.223 5820924.856 9281554.921 Plasmenyl-PE(P-16:0/18:3) 920404.2768 1079136.609 1662410.61 394676.7002 622281.4128 515079.2612 523674.548 660601.7071 683685.7224 184807.7651 410920.084 420913.3188 243879.2626 339572.9558 Plasmenyl-PE(P-16:0/20:3) 14324601.06 15332210.95 19751786.59 7779229.998 10225933.73 8438336.082 6940632.91 9861357.741 10785109.23 3542442.061 7137617.448 6572686.285 4008410.274 5904310.233 Plasmenyl-PE(P-16:0/20:4) 29359755.87 37453387.81 45285500.63 24405473.94 28768291.22 19312586.3 13386692.16 29743866.42 26479656.34 11218538.43 11309566.86 21624594.74 8073701.977 17420872.77 Plasmenyl-PE(P-16:0/20:5) 1762883.027 2206257.522 3380749.573 3153310.759 2485627.52 2764638.667 1726654.472 3396624.012 1743794.446 580999.9217 1895909.722 1120872.926 1414994.139 950856.5491 Plasmenyl-PE(P-16:0/22:1) 1056079.154 1211090.514 946417.5207 616440.2595 1276700.18 1525760.371 529317.2168 212678.89 470976.9898 135026.2071 477643.4888 448445.3929 6521.566342 417314.3688 Plasmenyl-PE(P-16:0/22:3) 4134210.793 5306122.464 4277473.663 1985022.876 3504153.518 2849057.921 1572549.589 1778363.898 2827982.329 982725.6785 1462417.362 1880237.47 325036.5257 1660778.09 Plasmenyl-PE(P-16:0/22:5) 2664776.743 3352003.234 3494989.765 2371227.083 2158725.245 1944170.21 1394663.564 2502542.657 2027692.437 1045510.289 1272553.18 2097835.917 914397.7401 1441306.113 Plasmenyl-PE(P-16:0/22:6) 5969702.676 6914304.011 8155258.283 6357937.986 6534328.602 4131791.553 2596536.043 8610365.791 4395586.392 1640034.523 2900946.229 3274811.521 2829475.144 2159123.574 Plasmenyl-PE(P-18:0/18:1) 8184596.265 7455081.64 8227434.858 4385330.954 6375147.204 6712811.961 4233884.795 3321292.453 4759319.741 1389516.421 3786062.745 2608455.116 1075217.235 2618392.536 Plasmenyl-PE(P-18:0/20:3) 5153374.202 4954737.223 5169946.775 2526873.614 2874893.814 2488990.413 2169236.083 3029793.472 3095742.516 1118421.921 1884245.604 2000553.611 1082000.351 1621763.256 Plasmenyl-PE(P-18:0/20:4) 13348202.34 14635130.3 14655380.72 9836780.288 9926596.209 7791829.243 5662989.297 10955208.36 10124622.24 4649031.055 4609716.011 8489758.643 3047991.398 6384449.548 Plasmenyl-PE(P-18:0/22:5) 1944407.135 2500835.637 3233501.135 2098060.903 1778916.32 1826777.362 1268302.298 2551024.101 1841116.572 710088.0447 1387647.453 1259372.46 765300.0381 920622.2943 Plasmenyl-PE(P-18:0/22:6) 1918839.675 2205379.996 2097184.927 1950195.67 1834817.13 1307990.203 861797.5875 2370238.094 1284917.826 544895.4808 798033.1941 936389.5581 773832.3868 644544.7244 Plasmenyl-PE(P-18:1/17:0) 1108596.23 1112182.863 1333922.577 557114.6361 699432.7263 585038.9305 558861.297 555077.7999 592556.6264 94422.16009 610261.3251 255459.5287 158489.1433 275618.4672 Plasmenyl-PE(P-18:1/18:1) 10502547.81 9270008.377 10925912.46 5443554.332 7042821.083 6259925.26 5094934.219 4751848.371 5532937.47 2184685.32 5729492.375 3354753.965 2041241.921 3265388.925 Plasmenyl-PE(P-18:1/20:3) 14277066.36 11581810.24 13665413.49 9783822.665 8295087.125 11450024.29 6175891.146 9125448.57 9296745.42 5629713.665 7722822.366 10016328.26 5530922.893 7553619.259 Plasmenyl-PE(P-18:1/20:4) 21757763.29 26253611.87 31882763.04 19270248.98 19775281.38 15438928.56 11730296.17 21965605.11 16665702.97 8345930.938 12157136.73 15315788.98 7190005.666 11754700.42 Plasmenyl-PE(P-18:1/20:5) 1114071.536 1339286.035 1642783.365 1757145.961 1341226.138 1470914.882 969208.6178 1408722.746 765312.1238 378847.8854 1107151.198 614891.0445 702166.9333 511781.4567 Plasmenyl-PE(P-18:1/22:5) 1792633.861 2032181.662 2957601.642 2087980.827 1672826.825 1833245.807 1191052.203 2161699.07 1461493.974 636666.2775 1636594.447 1080953.498 840064.8949 709418.9117 Plasmenyl-PE(P-18:1/22:6) 2991773.746 3302154.326 3123468.348 2874184.744 2855682.102 1840640.648 1158377.923 3200695.734 1547286.019 745304.3164 1364861.753 1419960.468 1156676.449 903899.3865 Plasmenyl-PS(P-16:0/20:3) 1034078.807 985432.5926 1552038.006 591847.912 770827.5132 729483.8882 570382.2504 545520.4766 668266.735 200191.1724 599189.5162 326640.2035 177223.8203 343722.5877 Plasmenyl-PS(P-16:0/22:3) 383393.3236 338076.232 345629.9719 197466.8645 277937.2291 304514.1607 172946.7778 148526.755 183114.0602 43444.94253 156199.1615 102060.9232 46738.20307 108908.8379 Plasmenyl-PS(P-16:0/22:4) 334445.5866 276122.1269 359602.9928 160872.275 211250.2951 178421.3979 151507.1001 139609.2939 170533.6049 58350.074 172817.3868 80396.61776 50820.08823 85665.58892 Plasmenyl-PS(P-16:0/22:5) 490535.38 538688.6214 693609.5322 244931.9185 339339.5024 278156.3215 208926.7778 309376.2021 377504.8244 108308.5571 234562.2006 206052.9588 124774.3942 198869.2161 Plasmenyl-PS(P-16:1/22:5) 1023308.149 1277586.839 1516113.951 864716.4086 989678.7036 700906.5453 450739.4868 1072139.172 916307.2954 391059.7888 381834.6975 757600.6197 291885.4062 570473.6303 Plasmenyl-PS(P-16:1/22:6) 32851.26731 44689.94632 78292.18906 74152.87602 50261.47686 62530.26626 35345.1667 85658.45357 34741.53178 3764.45857 42365.73426 14765.36993 34891.72415 11245.50228 Plasmenyl-PS(P-18:0/20:4) 1652076.195 1300314.2 897548.4043 948864.6586 790298.6259 464787.6526 702168.0342 1370414.402 1201559.871 389664.0116 661309.2219 925465.1634 34144.97576 973884.2553 Plasmenyl-PS(P-18:1/20:4) 360634.4401 253994.9816 287161.0046 252815.0756 163264.7664 90717.14045 225642.0838 421857.9687 295255.2793 76202.96342 149157.6527 140116.0956 3199.673855 202087.3558 Plasmenyl-PS(P-20:0/20:4) 74492.13932 126824.7646 63355.01691 70592.42408 44476.12389 35199.84688 37106.19917 133418.3453 90023.7996 12634.26453 24257.46199 65389.32375 10247.62621 38406.48616 PS(14:0_14:0) 3170974.602 2481278.046 3025623.468 2560038.173 3688728.074 3712787.368 3843088.669 1180044.044 1739093.906 4973937.418 3173731.714 2660612.371 1631415.025 2180918.425 PS(17:0_17:0) 15640148.72 2133641.349 8709940.002 12082588.83 3986537.004 18589838.77 5649359.503 14048732.05 7795752.376 9537396.099 10928256.5 13687948.52 10675171.39 15211850.97 PS(18:0_18:1) 4722870.551 4482753.227 7289899.721 5276264.18 5389284.142 3304971.303 3999042.75 5357553.848 3591183.179 2355492.786 3031507.55 2285830.078 1636747.175 3122539.856 PS(18:1_18:1) 723054.8046 850650.0874 1105357.598 597133.5954 697631.0148 374888.2398 752863.1759 1321217.169 550289.9322 441655.2572 738901.5058 488849.7437 357012.4284 897917.4129 SM(24:1) 30359139.33 22089464.87 24215018.76 21229650.47 30348067.85 35734412.11 31637670.44 8119481.892 18192667.32 32626621.91 29604475.21 23785650.25 6953930.142 19526091.3 SM(33:1) 579925.8485 664118.5057 721018.5744 302973.8057 428989.4847 261218.3798 316222.9251 407260.1423 433362.6114 110666.6608 331989.5971 186323.3016 60695.6761 239902.203 SM(34:0) 808086.862 916000.2836 1316003.963 695932.5189 815338.3494 510081.2734 610840.9814 767220.7376 608886.006 402845.6715 604984.316 575618.9462 188376.457 653341.1386 SM(38:2) 1220023.657 1198067.904 1650174.946 1182389.471 1283907.34 1584469.079 681125.1351 623035.5831 1140887.319 280315.4307 739685.9729 405693.7567 157386.6256 642930.2918 SM(40:1) 7490951.494 6574176.824 9070543.999 5830589.919 6461027.322 5346602.57 5101218.475 6305711.462 6879291.238 1747889.314 3936520.042 3485871.938 1081506.738 4388784.06 SM(40:2) 1821056.182 1556787.735 2385412.189 1634679.779 1811867.759 1678474.148 1107701.72 1142684.798 1431496.841 398670.4057 1139061.961 785287.5968 207424.9861 999777.9048 SM(41:1) 1205258.784 1084821.309 1293740.926 637927.853 858314.778 574191.6147 913848.1175 1110176.921 796425.2814 216969.7131 780816.9441 521515.0877 146075.3544 570175.8005 SM(41:2) 950571.7165 904460.1507 999024.5465 533039.3133 766001.597 446485.248 611084.462 722733.1268 564303.2616 133003.0395 622745.3359 283497.0408 158891.0444 313716.9771 SM(42:1) 4354479.906 4129724.27 6052545.433 3576904.871 3944503.079 3241053.322 3105424.611 3886596.498 3513715.201 1041812.636 2607774.196 2010725.509 638729.9973 2249271.608 SM(42:2) 14801685.12 14056528.22 16487101.77 11041418.31 12670961.54 8806068.072 9763056.795 11496916.23 10167065.87 3944563.754 8030975.46 6665517.527 2296435.607 6962346.661 SM(d14:0/18:1) 488649.5954 578909.5403 730265.5127 359079.3837 472487.5487 335468.3167 412521.2281 578798.0011 434929.6682 140519.5721 396672.591 273978.4113 80402.83645 355909.4592 SM(d18:1/16:0) 21501451.76 23895773.04 30778074.52 15409649.13 19825946.63 13611717.13 14050477.11 16903865.01 16679130.13 6762745.131 13945755.49 10725627.83 3737530.782 12817769.07 SM(d18:1/16:1) 896946.1247 909222.6825 1071707.898 677254.77 840380.7668 609867.3594 468024.4178 538819.1631 671935.2784 261498.0092 577495.7225 412593.2461 139918.5826 514884.8172 SM(d18:1/18:1) 4130092.158 3660554.343 4875756.097 3157397.413 2998139.644 2683278.641 1911489.241 2518943.134 3280844.532 838265.9828 1882754.719 1477609.183 565132.6973 1694192.905 SM(d20:1/16:0) 19181838.25 17686979.27 21861330.07 12794817.28 13925277.84 10382855.9 10904842.32 14985096.9 17659814.33 4459114.345 9097204.259 7394049.536 2985020.756 7929575.616 SM(d20:1/18:0) 4939917.567 4657204.466 5961864.736 3765959.859 4381031.923 4199556.822 3231274.813 3494815.998 5256361.026 1071169.982 2764142.461 1889853.35 687319.8227 2578937.46 SM(d22:0/20:3) 2107022.868 1978973.889 2347975.548 1698516.968 1985072.79 1474205.082 1175445.263 1335858.126 1319008.749 492513.0467 1267780.953 816525.2478 265342.8118 941882.7352 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z adduct Cer(d18:1/16:0) 8.346195833 582.5086959 [M+HCO2]- Cer(d18:1/17:0) 8.7047125 596.5249439 [M+HCO2]- Cer(d18:1/18:0) 9.075358333 610.5401433 [M+HCO2]- Cer(d18:1/24:0) 12.05190351 694.6345393 [M+HCO2]- Cer(d18:1/24:1) 10.74430093 692.6192201 [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_18:1) 15.21500833 1456.023355 [M-H]- CL(18:1_18:1_18:1_18:2) 14.93794074 1454.008486 [M-H]- CL(18:1_18:1_18:1_20:3) 15.00140602 1480.023173 [M-H]- CL(18:1_18:1_18:2_18:2) 14.62679213 1451.991728 [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(16:0) 1.383999537 452.2772949 [M-H]- LPE(18:0) 2.501681944 480.3084168 [M-H]- LPE(18:1) 1.487383796 478.2928579 [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(14:0_16:0) 7.715882407 750.5291287 [M+HCO2]- PC(16:0_16:1) 7.80208114 776.5440503 [M+HCO2]- PC(16:0_17:1) 8.080197222 790.560431 [M+HCO2]- PC(16:0_18:1) 8.395725417 804.5741527 [M+HCO2]- PC(16:0_18:2) 7.894135833 802.5583626 [M+HCO2]- PC(16:0_18:3) 7.601655093 800.5436132 [M+HCO2]- PC(16:0_20:3) 8.257806944 828.5739372 [M+HCO2]- PC(16:0_20:4) 7.792480093 826.5584078 [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(16:0_22:6) 7.622649074 850.5588037 [M+HCO2]- PC(16:1_16:1) 7.300930952 774.5288238 [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_20:3) 8.937164815 856.6056055 [M+HCO2]- PC(18:0_20:4) 8.416164352 854.5894071 [M+HCO2]- PC(18:0_22:4) 8.90387037 882.6217428 [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(18:1_18:1) 8.433290417 830.5898539 [M+HCO2]- PC(18:1_18:2) 7.937320833 828.5740373 [M+HCO2]- PC(18:1_20:1) 9.10325787 858.620818 [M+HCO2]- PC(18:1_20:3) 8.272875926 854.5894671 [M+HCO2]- PC(18:1_20:4) 7.818817593 852.5737136 [M+HCO2]- PC(18:1_20:5) 7.410331481 850.5591307 [M+HCO2]- PC(18:1_22:5) 7.849998611 878.5892224 [M+HCO2]- PC(18:1_22:6) 7.657213426 876.5740585 [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(16:0_20:3) 8.408184259 740.5221147 [M-H]- PE(16:0_22:6) 7.745225 762.5057606 [M-H]- PE(16:1_17:0) 8.234426577 702.5067742 [M-H]- PE(16:1_18:0) 8.550053333 716.5219071 [M-H]- PE(16:1_18:1) 7.97765787 714.5062618 [M-H]- PE(17:0_17:0) 9.24294875 718.5381819 [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_17:1) 8.255391667 714.5065144 [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_20:2) 9.470115741 770.5695507 [M-H]- PE(18:0_20:3) 9.099755556 768.5533436 [M-H]- PE(18:0_20:4) 8.566337917 766.5380308 [M-H]- PE(18:0_20:5) 8.095176852 764.5211438 [M-H]- PE(18:0_22:3) 9.64617037 796.5852182 [M-H]- PE(18:0_22:4) 9.068466667 794.5691472 [M-H]- PE(18:0_22:5) 8.576623611 792.5506751 [M-H]- PE(18:0_22:6) 8.369093056 790.537518 [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_20:4) 7.961831481 764.5208667 [M-H]- PE(18:1_22:6) 7.785856019 788.5208543 [M-H]- PE(18:2_18:2) 7.925629167 738.5063585 [M-H]- PE(18:2_20:4) 7.545372222 762.5044979 [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(16:0_18:1) 7.9950625 747.5162099 [M-H]- PG(17:0_17:0) 8.600070833 749.5322472 [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_18:1) 8.506797685 863.5633758 [M-H]- PI(18:0_18:2) 7.923150463 861.5476598 [M-H]- PI(18:0_18:3) 7.639312963 859.5320402 [M-H]- PI(18:0_20:3) 8.379287037 887.5635728 [M-H]- PI(18:0_20:4) 7.92440787 885.547617 [M-H]- PI(18:0_20:5) 7.379846296 883.5321625 [M-H]- PI(18:1_20:4) 7.51689537 883.532063 [M-H]- Plasmanyl-PC(O-16:0/16:0) 8.77087963 764.5798466 [M+HCO2]- Plasmanyl-PC(O-16:0/20:3) 8.735302315 814.5949773 [M+HCO2]- Plasmanyl-PC(O-16:0/22:4) 9.046156944 840.6106458 [M+HCO2]- Plasmanyl-PC(O-16:1/16:1) 8.047562281 760.5491488 [M+HCO2]- Plasmanyl-PC(O-16:1/18:1) 8.701305556 788.5794889 [M+HCO2]- Plasmanyl-PC(O-16:1/18:2) 8.169023611 786.5638778 [M+HCO2]- Plasmanyl-PC(O-16:1/18:3) 7.892152778 784.5480096 [M+HCO2]- Plasmanyl-PC(O-16:1/20:3) 8.533828241 812.5788721 [M+HCO2]- Plasmanyl-PC(O-16:1/20:4) 8.039402778 810.5635474 [M+HCO2]- Plasmanyl-PC(O-16:1/20:5) 7.622310185 808.5482035 [M+HCO2]- Plasmanyl-PC(O-16:1/22:4) 8.542775463 838.5947379 [M+HCO2]- Plasmanyl-PC(O-16:1/22:6) 7.852426389 834.5631175 [M+HCO2]- Plasmanyl-PC(O-18:0/20:4) 9.240105093 840.6106907 [M+HCO2]- Plasmanyl-PC(O-18:1/18:1) 9.428348611 816.6114076 [M+HCO2]- Plasmanyl-PC(O-18:1/20:4) 8.675541667 838.595174 [M+HCO2]- Plasmanyl-PE(O-16:0/18:1) 9.623715833 702.5458277 [M-H]- Plasmanyl-PS(O-18:0/17:0) 8.671041204 762.5641589 [M-H]- Plasmanyl-PS(O-20:0/20:3) 8.729139815 826.5946486 [M-H]- Plasmanyl-PS(O-20:0/20:4) 8.264334259 824.5795877 [M-H]- Plasmenyl-LPC(P-16:0) 1.581626852 524.3342295 [M+HCO2]- Plasmenyl-LPC(P-18:1) 1.753625463 550.3505676 [M+HCO2]- Plasmenyl-LPE(P-16:0) 1.667423148 436.2820953 [M-H]- Plasmenyl-LPE(P-18:0) 3.058538426 464.3133527 [M-H]- Plasmenyl-LPE(P-18:1) 1.846240278 462.2978792 [M-H]- Plasmenyl-PC(P-18:0/16:0) 8.80654213 790.5951044 [M+HCO2]- Plasmenyl-PC(P-18:1/16:1) 8.374417593 786.564037 [M+HCO2]- Plasmenyl-PC(P-18:1/20:4) 8.068256019 836.5788035 [M+HCO2]- Plasmenyl-PE(P-16:0/16:0) 8.862561842 674.5127958 [M-H]- Plasmenyl-PE(P-16:0/16:1) 8.21390463 672.4958152 [M-H]- Plasmenyl-PE(P-16:0/17:1) 8.542398611 686.5112162 [M-H]- Plasmenyl-PE(P-16:0/18:1) 8.93670125 700.5278199 [M-H]- Plasmenyl-PE(P-16:0/18:3) 8.056900463 696.4960279 [M-H]- Plasmenyl-PE(P-16:0/20:3) 8.720759722 724.5273578 [M-H]- Plasmenyl-PE(P-16:0/20:4) 8.204695833 722.511709 [M-H]- Plasmenyl-PE(P-16:0/20:5) 7.768896296 720.4964916 [M-H]- Plasmenyl-PE(P-16:0/22:1) 10.50723287 756.5902982 [M-H]- Plasmenyl-PE(P-16:0/22:3) 9.252397685 752.5586705 [M-H]- Plasmenyl-PE(P-16:0/22:5) 8.426275926 748.526954 [M-H]- Plasmenyl-PE(P-16:0/22:6) 8.006355556 746.5114119 [M-H]- Plasmenyl-PE(P-18:0/18:1) 9.642056944 728.5593015 [M-H]- Plasmenyl-PE(P-18:0/20:3) 9.455649537 752.5587667 [M-H]- Plasmenyl-PE(P-18:0/20:4) 8.877422083 750.5421781 [M-H]- Plasmenyl-PE(P-18:0/22:5) 8.887768056 776.5587791 [M-H]- Plasmenyl-PE(P-18:0/22:6) 8.666166204 774.5422895 [M-H]- Plasmenyl-PE(P-18:1/17:0) 9.258137037 714.5435196 [M-H]- Plasmenyl-PE(P-18:1/18:1) 8.9680775 726.5430648 [M-H]- Plasmenyl-PE(P-18:1/20:3) 8.659602083 750.5415897 [M-H]- Plasmenyl-PE(P-18:1/20:4) 8.234998611 748.526997 [M-H]- Plasmenyl-PE(P-18:1/20:5) 7.814328241 746.511174 [M-H]- Plasmenyl-PE(P-18:1/22:5) 8.254900463 774.5425602 [M-H]- Plasmenyl-PE(P-18:1/22:6) 8.049316667 772.5271415 [M-H]- Plasmenyl-PS(P-16:0/20:3) 8.898435648 768.5152303 [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-16:0/22:5) 8.726193056 792.5150752 [M-H]- Plasmenyl-PS(P-16:1/22:5) 8.205376126 790.5004143 [M-H]- Plasmenyl-PS(P-16:1/22:6) 7.770534409 788.483781 [M-H]- Plasmenyl-PS(P-18:0/20:4) 8.038138426 794.5326071 [M-H]- Plasmenyl-PS(P-18:1/20:4) 7.51867037 792.5167246 [M-H]- Plasmenyl-PS(P-20:0/20:4) 7.769693333 822.5643073 [M-H]- PS(14:0_14:0) 6.546577083 678.4339324 [M-H]- PS(17:0_17:0) 8.528461667 762.5278591 [M-H]- PS(18:0_18:1) 8.572911574 788.5434833 [M-H]- PS(18:1_18:1) 7.995210648 786.5279629 [M-H]- 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]- SM(d14:0/18:1) 6.95894213 719.5325416 [M+HCO2]- SM(d18:1/16:0) 7.68036713 747.5644263 [M+HCO2]- SM(d18:1/16:1) 7.066293519 745.5490635 [M+HCO2]- SM(d18:1/18:1) 7.759845833 773.5796976 [M+HCO2]- 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]- METABOLITES_END #END