#METABOLOMICS WORKBENCH Metabo123_20230411_091344 DATATRACK_ID:3856 STUDY_ID:ST002569 ANALYSIS_ID:AN004233 PROJECT_ID:PR001656 VERSION 1 CREATED_ON April 19, 2023, 3:54 pm #PROJECT PR:PROJECT_TITLE Remodeling of lipid landscape in high fat fed very-long chain acyl-CoA PR:PROJECT_TITLE dehydrogenase null mice favors pro-arrhythmic polyunsaturated fatty acids and PR:PROJECT_TITLE their downstream metabolites PR:PROJECT_SUMMARY Very-long chain acyl-CoA dehydrogenase (VLCAD) catalyses mitochondrial fatty PR:PROJECT_SUMMARY acid β-oxidation (FAO). Inherited VLCAD deficiency (VLCADD) predisposes to PR:PROJECT_SUMMARY neonatal arrhythmias whose pathophysiology is still not understood. We PR:PROJECT_SUMMARY hypothesized that VLCADD results in global disruption of cardiac complex lipid PR:PROJECT_SUMMARY homeostasis, which may set conditions predisposing to arrhythmia. To test this, PR:PROJECT_SUMMARY we assessed the cardiac lipidome and related molecular markers in PR:PROJECT_SUMMARY seven-month-old VLCAD-/- mice, which mimic to some extent the human cardiac PR:PROJECT_SUMMARY phenotype. Mice were sacrificed in the fed or fasted state after receiving for PR:PROJECT_SUMMARY two weeks a chow or a high-fat diet (HFD), the latter condition being known to PR:PROJECT_SUMMARY worsen symptoms in human VLCADD. Compared to their littermate counterparts, PR:PROJECT_SUMMARY HFD/fasted VLCAD-/- mouse hearts displayed the following lipid alterations: (1) PR:PROJECT_SUMMARY Lower LC, but higher VLC-acylcarnitines accumulation, (2) higher levels of PR:PROJECT_SUMMARY arachidonic acid (AA) and lower docosahexaenoic acid (DHA) contents in PR:PROJECT_SUMMARY glycerophospholipids (GPLs), as well as (3) corresponding changes in PR:PROJECT_SUMMARY pro-arrhythmogenic AA-derived isoprostanes and thromboxane B2 (higher), and PR:PROJECT_SUMMARY anti-arrythmogenic DHA-derived neuroprostanes (lower). These changes were PR:PROJECT_SUMMARY associated with remodeling in the expression of gene or protein markers of (1) PR:PROJECT_SUMMARY PL remodeling: higher calcium-dependent phospholipase A2 and PR:PROJECT_SUMMARY lysophosphatidylcholine-acyltransferase 2, (2) calcium handling perturbations: PR:PROJECT_SUMMARY higher SERCA2a and phospholamban, but lower RyR2, and (3) endoplasmic reticulum PR:PROJECT_SUMMARY stress: higher CHOP and GRP78. Altogether, these results highlight global lipid PR:PROJECT_SUMMARY dyshomeostasis beyond FAO in VLCAD-/- mouse hearts, which may set conditions PR:PROJECT_SUMMARY predisposing the hearts to calcium mishandling and endoplasmic reticulum stress PR:PROJECT_SUMMARY and thereby may contribute to the pathogenesis of arrhythmias in VLCADD in mice PR:PROJECT_SUMMARY as well as in humans. PR:INSTITUTE Montreal Heart Institute PR:LAST_NAME Forest PR:FIRST_NAME Anik PR:ADDRESS 5000 Bélanger Street PR:EMAIL metabolomique.icm@mhi-rc.org PR:PHONE 5143763330 ext 2133 #STUDY ST:STUDY_TITLE Lipidomic analysis in very-long chain acyl-CoA dehydrogenase null mice ST:STUDY_SUMMARY Compared to their littermate counterparts, HFD/fasted VLCAD-/- mouse hearts ST:STUDY_SUMMARY displayed higher VLC-acylcarnitines accumulation, higher levels of arachidonic ST:STUDY_SUMMARY acid (AA) and lower docosahexaenoic acid (DHA) contents in glycerophospholipids ST:STUDY_SUMMARY (GPLs). ST:INSTITUTE Montreal Heart Institute ST:LAST_NAME Forest ST:FIRST_NAME Anik ST:ADDRESS 5000 Bélanger Street ST:EMAIL metabolomique.icm@mhi-rc.org ST:PHONE 5143763330 ext 2133 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Male #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 5687 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5687 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5688 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5688 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5689 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5689 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5690 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5690 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5691 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5691 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5692 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5692 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5693 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5693 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5694 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5694 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5695 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5695 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5696 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5696 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5697 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5697 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5698 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5698 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5699 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5699 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5700 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5700 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5701 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5701 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5702 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5702 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5703 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5703 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5704 Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5704 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5959 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5959 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5961 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5961 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5962 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5962 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5963 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5963 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5964 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5964 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5965 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5965 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5966 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5966 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5967 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5967 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5968 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5968 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5969 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ RAW_FILE_NAME=300719 5969 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5970 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5970 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5971 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5971 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5972 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5972 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5973 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5973 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5974 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5974 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5975 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5975 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5976 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5976 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5977 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5977 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5978 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5978 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5979 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5979 VLC04C pos.mzML SUBJECT_SAMPLE_FACTORS - 5980 Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- RAW_FILE_NAME=300719 5980 VLC04C pos.mzML #COLLECTION CO:COLLECTION_SUMMARY Mice were sacrificed under anesthesia using ketamine (100mg/ml) and xylazine CO:COLLECTION_SUMMARY (20mg/ml). Immediately after mouse sacrifice, hearts were rapidly excised, CO:COLLECTION_SUMMARY snap-frozen with liquid nitrogen, and then stored at -80°C. CO:SAMPLE_TYPE Heart CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_TUBE_TEMP -80 #TREATMENT TR:TREATMENT_SUMMARY VLCAD-/- males (129svJ X C57BL/6J genetic background) were crossed with C57Bl/6J TR:TREATMENT_SUMMARY females to generate heterozygous VLCAD+/- mice. Coupling of heterozygous mice TR:TREATMENT_SUMMARY then produced VLCAD-/- mice and control littermate counterparts (VLCAD+/+). All TR:TREATMENT_SUMMARY animals were genotyped as previously described. Mice were housed in a specific TR:TREATMENT_SUMMARY pathogen-free facility under a 12-h light/dark cycle at constant temperature and TR:TREATMENT_SUMMARY with access to water and food ad libitum. At 7-month of age, mice were fed for 2 TR:TREATMENT_SUMMARY weeks with either a chow diet (Harlan no. 2018; 3.1 kcal/g) or a high-fat diet TR:TREATMENT_SUMMARY (Harlan Teklab no. 3584; 5.4kcal/g) ad libitum. Mice were sacrificed in fed TR:TREATMENT_SUMMARY state for the CD group (CD/fed condition) or after fasting for 24 hours for the TR:TREATMENT_SUMMARY HFD group (HFD/fasted condition. Percent calories from carbohydrates, lipids and TR:TREATMENT_SUMMARY proteins were 58/18/24 for the CD and 26.6/58.4/15 for the HFD. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Total lipids were extracted from 40mg of pulverized hearts under liquid nitrogen SP:SAMPLEPREP_SUMMARY using in methyl tert-butyl ether (MTBE) and ethyl acetate after spiking with the SP:SAMPLEPREP_SUMMARY following internal standards lysophosphatidylcholine (LPC) 13:0, SP:SAMPLEPREP_SUMMARY phosphatidylcholine (PC) 19:0/19:0, PC14:0/14:0, phosphatidylserine (PS) SP:SAMPLEPREP_SUMMARY 12:0/12:0, phosphatidylglycerol (PG) 15:0/15:0 and phosphatidylethanolamine (PE) SP:SAMPLEPREP_SUMMARY 17:0/17:0). Supernatants were evaporated using a Speed Vacuum concentrator SP:SAMPLEPREP_SUMMARY overnight, dissolved in methanol/chloroform (2:1) and aliquots (50 µL) were SP:SAMPLEPREP_SUMMARY stored at -80ºC until use. SP:SAMPLEPREP_PROTOCOL_FILENAME Sample preparation protocol of untargeted lipidomic analysis SP:PROCESSING_STORAGE_CONDITIONS -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Agilent ZORBAX Eclipse Plus C18 (100 x 2.1mm,1.8um) CH:SOLVENT_A 100% water; 0.2% formic acid; 10 mM ammonium formate CH:SOLVENT_B 55% ethanol,/35% acetonitrile/10% MTBE, 55:35:10; 0.2% formic acid; 10 mM CH:SOLVENT_B ammonium formate CH:FLOW_GRADIENT 0–2 min, 50% B; 2–11 min, 50–85% B; 11–33 min, 85–94% B; 33–35 min, CH:FLOW_GRADIENT 94–98% B, 35–38 min; 98–99.5% B; 38–82 min, 98–99.5% B; 82–83 min, CH:FLOW_GRADIENT 99.5–50% B, plus an equilibration of 8 min CH:FLOW_RATE 0.45 ml/min CH:COLUMN_TEMPERATURE 40 CH:METHODS_FILENAME LC-MS and data processing protocol of untargeted lipidomic analysis #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS MS data processing was achieved using the Mass Hunter Qualitative Analysis MS:MS_COMMENTS software package (version B.07) for peak picking and a bioinformatic script that MS:MS_COMMENTS we have developed and encoded in both Perl and R languages to enable optimal MS MS:MS_COMMENTS data alignment, filtering of presence, normalisation, batch effect correction, MS:MS_COMMENTS and missing data imputation. The resulting final dataset list reproducible high MS:MS_COMMENTS quality MS signals referred as features with their mass-over-charge (m/z), MS:MS_COMMENTS corrected signal intensity, and retention time (RT). Feature identity (ID) was MS:MS_COMMENTS as following: ionization mode:mass@RT. MS:MS_RESULTS_FILE ST002569_AN004233_Results.txt UNITS:Counts Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Counts MS_METABOLITE_DATA_START Samples 5687 5688 5689 5690 5691 5692 5693 5694 5695 5696 5697 5698 5699 5700 5701 5702 5703 5704 5959 5961 5962 5963 5964 5965 5966 5967 5968 5969 5970 5971 5972 5973 5974 5975 5976 5977 5978 5979 5980 Factors Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD +/+ Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- Diet:Standard diet | Nutritional status:Fed | Genotype:VLCAD -/- Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD +/+ Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- Diet:High Fat diet | Nutritional status:Fasted | Genotype:VLCAD -/- CAR 14:1_A 3595114.641 2392021.839 1122086.887 1516658.072 3525954.687 904645.7864 596364.4229 1229107.127 1410888.662 287373.8696 267595.3583 430875.7969 329473.8115 245025.721 206525.4298 470747.4827 217097.8213 639508.2887 937177.6753 1532823.574 1208765.326 297264.1999 437005.2486 1867787.995 2736922.102 1151029.893 1219674.299 850600.8602 707386.416 444365.8066 1023798.241 840523.3505 184646.3771 148065.5717 396788.9689 261513.5471 421853.9888 285702.0158 264306.1865 CAR 14:0 8545630.867 15418433.59 4800403.473 6318481.226 14602010.08 6919084.627 5771146.244 4881757.241 7231917.539 2140681.89 2734810.174 2485221.32 2895866.04 2096221.511 1341311.682 2943362.439 1447616.878 2829533.229 4223290.024 11017235.43 6139243.99 1695732.398 1605279.815 12559629.51 12061304.01 6751241.557 3788939.49 2868443.729 4722733.27 5256301.48 8281283.528 6657337.839 2218256.261 1600764.077 2204552.669 2275025.311 3587157.871 2346409.383 2259375.539 CAR 14:1_B 587805.3674 2898218.135 445761.6229 656542.8911 2205162.126 861228.6 728198.7584 522092.8554 618046.6531 229008.5094 267823.156 62238.05922 260273.3571 213509.6301 77284.09437 276507.2381 154230.151 301001.6502 351795.4002 757701.4776 443052.7856 120323.772 103903.5596 1244210.861 1429339.584 630960.294 348159.2372 219727.3875 313223.9351 246304.3155 722005.3823 622335.9384 112250.4007 79064.6707 244657.1221 139663.013 370793.4206 114751.1514 87210.43422 CAR 14:2 1034988.222 1043428.879 554115.2803 1068086.6 1618573.453 452580.1334 407886.473 657718.5278 875867.646 248905.8778 203678.9499 313216.0637 258225.7725 234835.7863 132911.7614 306909.3824 149338.5744 340992.3526 260194.5695 386537.9182 533063.6563 156016.2261 411013.9605 336777.3373 489978.4082 486426.5204 483238.4431 311083.0755 260121.1861 128804.1975 325963.2926 358217.3594 133997.2202 95018.74742 160612.6599 181735.4908 233362.093 152083.6135 123916.8042 CAR 16:1 5917918.478 17207618.78 6109688.197 5702318.269 18141288.49 7984543.737 6466013.798 5120537.611 9436741.031 2710130.818 3223423.409 3793852.533 3272099.186 2510159.784 1568081.796 3954394.118 1807132.608 5969721.229 4223029.049 14614206.42 6233570.276 1611445.055 1937477.208 15235978.72 19055940.24 8802940.691 4124377.343 2976429.115 6487258.267 5416084.195 11810325.23 7947922.811 2344430.553 2530023.555 4324251.816 3508170.725 5073275.591 4311286.979 3530491.23 CAR 18:1(OH) 1313001.206 5044388.341 587000.4065 781171.6097 5148143.034 4296346.815 3613851.125 2338813.892 3170959.389 535199.2618 307580.7607 484763.5621 377959.7577 180459.5688 302386.3665 478598.5909 300555.6741 518382.3963 684864.8714 1811287.136 804577.8354 206213.8647 318263.4011 1644531.777 4653279.287 863217.9428 835379.3055 643106.4054 1180233.724 1306140.487 1667279.3 1105806.681 214826.3407 233240.072 534992.6368 310591.8795 736818.4413 560860.9479 497426.2214 CAR 18:2(OH) 257462.4831 825488.9693 104967.2669 213698.7338 956613.5258 814101.4766 1026428.498 555965.0409 632435.3492 134548.8883 174252.7015 118273.8057 127851.7261 98159.64137 38655.81263 261437.4826 78117.53884 117661.1673 64028.26048 494615.0028 112508.3818 38908.51772 48584.22514 177844.6411 595063.8404 70795.93945 94858.66663 81382.62877 221908.9506 145860.4452 220495.4224 191926.8053 39256.80743 37939.11829 101061.3305 56086.16866 93783.059 69745.68474 40710.01907 CAR 18:3_A 922833.8579 6017063.451 3486878.659 3764076.62 6289945.001 3664936.887 2095869.23 3089660.9 7906234.523 1756421.708 1679131.636 2098208.511 1881853.047 1582233.817 871575.3311 1160130.298 1274894.524 1846117.602 662036.3226 2720965.472 2074172.772 419467.6592 282407.3541 4179051.678 2996212.093 4327868.373 1657762.341 727780.6589 628030.8351 815774.8962 1038685.965 2901308.971 533745.8864 526483.5753 1035423.904 755271.1204 1174229.512 1001418.769 705564.8326 CAR 18:3_B 394771.0013 821994.0638 887785.0693 1434186.415 1139000.366 673888.3527 551586.7579 1479825.928 1120798.444 466906.1623 430547.1433 496623.3859 605831.0431 648628.2742 448013.7778 553251.7285 379543.9741 318164.5784 377573.6745 355656.2293 461990.2538 49152.07034 17385.49373 417129.4757 132324.3737 448660.5433 383262.5687 143552.9428 775830.7774 429440.8867 684672.5121 1204063.44 254668.7797 258152.423 588737.3431 387699.9997 608619.9983 445527.5348 167293.3498 Cer(d18:1/20:0) 1146675.801 998936.8467 1262945.511 1052847.037 1839163.122 1633086.858 1341005.814 1560061.655 2318119.584 913900.9954 875995.4044 1104774.539 988065.8354 678040.3426 676284.1482 1113544.847 720719.8438 1053784.233 1005709.575 1008303.922 986030.452 1317120.235 971275.1685 1157144.658 1820458.294 1206645.639 1868110.658 1938342.499 1157338.921 1603791.192 1518184.254 1058237.016 1312901.759 937651.069 1001750.12 1164757.112 959359.7517 1044625.259 1093266.285 CL 76:12 1721948.882 1406397.102 2118034.785 2161835.984 2122362.134 579531.5701 507775.9403 2372433.114 3393223.237 798421.738 1026732.92 625220.5684 992590.8174 813284.0491 1088934.306 731249.9181 1546240.909 2205183.483 2536392.93 464340.7645 1196018.825 1989670.374 1252711.711 1591186.673 2342356.082 1326473.828 1911023.297 1056940.715 506047.7175 273562.8548 799817.2247 1107007.792 734212.0345 635001.0752 750935.7543 584500.4376 1287307.374 456245.528 796221.1801 GlcCer(d18:1/16:0) 57469.64854 49865.94895 83185.49198 90698.83431 64059.60343 56522.75929 58865.48346 30620.69361 73624.48958 211425.0026 97432.75279 273227.8613 234675.5767 403081.0268 426471.662 105450.1336 429630.3206 141305.5555 109007.6147 105011.5064 408922.9035 125170.4921 101022.3538 85481.32692 46362.95966 155202.4892 48383.20778 112586.8376 144234.5925 128747.2606 235280.6021 775897.8645 249386.0046 270825.7354 240781.7849 121983.7493 119416.3828 265478.0655 284616.4289 GlcCer(d18:1/24:1) 89686.21526 52828.99895 119868.546 141053.2097 103272.4065 67246.50955 93065.4105 52103.03497 89900.48288 250657.703 135037.7499 297165.172 286958.107 794615.7935 584562.8732 108319.2196 386154.514 240440.285 255091.0722 484012.274 1246928.622 256263.7265 195885.3004 211378.7717 110803.1156 446983.8274 131021.817 155939.4274 513051.0815 304182.0808 543181.9533 896610.8232 220088.6537 245632.8321 295118.5967 147488.0839 351981.9578 307057.4509 562568.0618 LPC 16:1 309955.8626 320939.8099 307589.751 361602.7339 424136.1509 352344.7898 220121.6093 240189.7627 190351.6102 337183.6305 355631.6373 370731.1229 518634.8085 458345.2741 884522.9502 508944.6348 498860.434 521374.595 658380.6964 485919.8976 1522733.62 373032.7436 933290.2842 490665.0538 476397.1803 1110245.542 416984.8371 354714.4815 443524.9033 495655.2829 409634.4422 266257.4352 404329.5916 601152.7866 561608.8318 540397.5957 420169.2635 738307.3854 1496694.104 LPC 22:6_A 134129106.5 112385351.5 128422161.7 134630544.5 124702384.2 114739515.4 91630646.1 104325349.5 103569716.5 101675801.2 97793824.12 103663052.2 97808295.4 89124245.31 85627244.85 98402210.11 96764483.29 102055969.5 84496187.52 59185227.29 185562148.3 74848914.22 62774210.67 64074827.77 108499952 72933357.54 121498424.2 99692564.36 55230432.26 41411050.93 50095519.41 60545874.97 55365780.99 51698768.1 58306211.97 52472435.95 78855748.39 71477784.51 60829009.47 LPC 22:6_B 120596315.7 99561229.37 99251469.25 96554449.55 83258296.2 89287716.71 59284409.53 118570014.2 93962960.93 82309491.98 79029038.18 80879246.33 76822129.39 72745044.44 68653931.85 74514553.13 105229360.3 83721394.12 134319414.1 80937810.22 206197011.6 102216283.9 144362946.7 100206642.9 101661755.7 208322158 114709051.9 89332155.97 56604141.87 44495182.26 47659782.6 80845836.05 56061090.73 56815978.45 52234077.13 51622657.07 67068348.48 67650671.71 126061247.1 LPE 22:4 1937069.703 1713053.337 2403840.969 1879491.758 1520904.677 1397815.733 1931506.781 1553413.183 1784203.849 2537755.192 2455372.682 2550196.023 2077083.192 2562455.826 2453428.628 2540315.965 2051063.212 2353512.688 1975906.806 1886709.108 1368244.658 1591821.901 1383536.258 1923078.208 1899679.852 869895.6988 2227404.765 2213644.94 3849852.227 3270877.11 3249303.551 1399109.526 2311158.244 2823894.383 2509907.754 2267346.455 2708049.809 2775131.779 1746798.352 PC(14:0_18:2) 2655261.846 4801394.611 2528710.08 3609558.004 2465346.835 3766415.999 4512695.437 3001801.006 2642174.58 2989018.387 2868058.926 2808181.301 4058975.295 3074321.25 4624737.933 4721698.872 6421592.08 3798150.901 2261742.509 3936011.32 2402920.115 2763553.344 1944935.066 2590429.768 2067409.648 1843387.011 2657587.306 2052946.048 4624248.038 4394591.67 3717068.06 6577530.22 7259099.404 7698159.374 4364417.508 3255382.723 3347825.481 5004144.699 2621777.854 PC(14:0_20:4) 833696.713 641526.4883 530043.4313 924457.1398 521166.969 469351.0996 578296.7228 493476.1364 501908.434 593217.0225 1037365.376 611128.7323 818954.342 711964.9601 1014244.726 887974.5855 1104297.714 777852.5659 707022.7726 845609.266 746849.6397 988710.2404 581884.7723 1008557.115 722444.1456 622934.6451 686816.3225 512660.3646 1812763.129 1033037.29 1146987.629 2407559.188 2210307.52 2284622.362 945163.4979 964990.5171 840018.583 1253889.22 1220525.338 PC(15:0_16:0) 71639.59254 159183.7505 110409.5826 129405.0022 158515.0781 232178.4473 123983.2371 244421.0497 145123.8136 213338.1852 255217.3858 407458.9247 286375.2159 341005.0444 313479.5456 188185.061 351255.6893 164447.6323 234919.5975 326043.4771 197871.8192 269635.2277 242151.7411 290252.2894 187436.0784 256392.6089 185507.1747 148148.2578 417129.3717 221676.1295 415188.5102 594732.2584 410603.2289 412492.7235 376667.5607 258247.9345 253654.7371 302551.2379 291519.1605 PC(15:0_18:2) 2188048.154 5476003.05 2676876.856 2830615.943 4156346.428 6031273.059 4176997.532 4278239.073 4861961.605 4500201.893 4021273.611 6315282.533 5283446.973 5026257.992 4882466.123 5123703.706 6059278.966 3757035.269 2095925.006 2283241.211 1687770.763 2344053.785 1478284.665 2531279.97 1293007.167 1341352.854 1878213.622 1661232.338 4296308.526 4516855.706 2956939.541 2511029.159 3654197.068 4076723.271 2429630.104 2695581.041 2206482.16 3119269.25 2314687.91 PC(16:0_16:1) 14024972.38 17293773 17363143.53 21348526.5 16087690.06 13073040.13 48915605.11 14435157.64 12943529.79 18963543.75 18391424.55 14351916.38 19184167.32 23269944.53 28881948.82 24069081.95 29202226.29 19701853.73 23071780.24 32375303.3 14717930.97 22118087.74 15431619.35 22494675.34 13373510.75 15902011.43 17691742.54 20184556.44 23227087.11 26305635.55 29487296.36 34534641.93 33486273.87 43465021.89 38832377.38 24305621.2 22752462.13 25284029.95 23615222.65 PC(16:0_22:5) 356065050.5 185012121 312576614.3 349494193.9 248173508.9 195496428 236941044.5 246093734.5 248087797 232352924.7 173967277.7 210016823.9 193052888.3 191471221.5 253151384.5 300209402.2 260334845 280880916.4 253227620 188910864.5 177618802.6 273137715.8 257923751.2 186335338.6 295272088.5 296288763 305447613.6 306813774.5 107055826.5 144887442.1 97805806.53 207963157.2 163269390.9 169822511.1 188151598.8 144015907.9 198682038.1 187539738.1 173340139.7 PC(16:0_22:7) 14499460.48 8845131.817 11271329.45 10726935.63 7610597.26 5817188.757 5470044.773 9594958.593 8768467.247 7983596.126 8503838.503 7045245.354 5825542.103 5117099.338 7929858.006 7940016.148 8799636.435 10096403.98 7241295.258 5868615.992 5810248.603 11068336.87 9153922.596 5017517.741 12902766.25 7352487.096 12787361.89 9545991.087 4610737.373 3273081.728 2831264.143 7211215.848 7468173.853 6358457.365 6023759.174 4389277.797 6683880.856 6310401.116 4433520.391 PC(16:0_24:6) 15786871.56 14480721.92 17135647.48 20982258.27 12508466.09 8409293.702 14187705.34 15896304.03 23482040.66 21936803.37 22415683.88 22542040.28 14437959.15 16028580.54 18646353.16 26900010.06 19239419.76 16470272 16067779.33 7958169.702 8755779.729 14490908.03 14015224.98 15644797.91 10769559.46 7663520.934 20771231.45 18057600.69 6886847.77 7561318.408 6969527.731 5957503.669 10789149.97 10078753.21 6664354.241 6969071.057 7526502.881 7432024.177 7205113.576 PC(16:1_16:0) 259376.1861 155574.5338 169826.0989 514201.8088 129183.1477 16186.94051 450646.7429 247677.7799 149458.3176 316631.1696 218878.9692 210046.8307 240647.745 144382.6227 436490.1938 405735.281 429560.8069 448129.8176 240070.7723 846018.4231 138400.5786 280837.2048 202082.4687 285291.318 267297.8071 482000.0692 524823.3543 177961.5322 857376.0328 467026.0466 716249.082 228785.2944 1139220.635 1161879.736 627234.7875 509528.5422 558382.8139 857155.5068 610561.4176 PC(16:1_18:2) 10695514.9 14363203.08 10702174.33 10235869.77 14421564.06 14985529.58 15729688.64 17219885.37 16400787.13 20644147.14 12805181.36 17870284.78 19424004.33 19241572.49 32223012.73 30485175.83 29408857.47 29748182.13 8787672.852 7416732.877 5086851.088 9244302.932 8210565.087 8441006.524 8383805.11 6851440.613 8977503.17 11205564.53 15338833.13 18177327.39 13716400.35 8777715.596 22766444.38 27535940.34 21753909.12 18121857.97 16504347.71 21769351.32 15169551.32 PC(16:1_20:4) 3630791.397 2895522.955 7491097.373 5941408.796 4744291.193 2444084.308 7521414.123 3972266.206 4086099.656 5394950.47 6857296.524 4430022.565 4876508.097 6343258.752 7791457.69 5863951.659 6313551.51 5575468.799 6814337.921 5814210.678 4335760.066 7332667.013 5668373.889 5563598.801 4110743.017 7736925.687 5619433.853 6630722.397 4430063.502 4465020.526 6139120.653 8643490.457 5127842.013 6425056.157 5850989.253 5836911.423 5238288.062 5044359.433 6507725.197 PC(16:1_22:6) 12434534.43 8163547.216 14057619.88 15750913.83 10077941.51 6222000.735 13400869.94 14092654.4 9318433.977 8491181.004 11281402.47 6557825.821 5916886.233 6994566.522 8362992.198 8570111.9 14362424.01 7639346.642 9194544.086 7274811.546 6107374.632 15139676.01 9008181.898 6940099.576 12448420.62 9601267.393 10609933.54 10009361.83 2884394.431 2076432.754 3655347.157 9118879.849 5311453.52 5983347 6203205.855 4913763.781 5739727.415 4789425.142 5617100.502 PC(16:2_18:2) 781115.1998 1504582.028 738543.7925 715959.728 1062171.055 1147278.514 1096780.868 1461182.193 1224395.047 1338164.087 1010264.523 1364461.076 1160340.28 1187971.945 1947544.993 1763994.36 2096817.261 1422027.437 590757.2302 296852.3391 293149.6579 651982.4454 422457.4287 368712.476 499332.9537 168750.9782 661712.2669 621330.0362 857010.8257 821363.6953 747884.2987 449241.1378 1030252.615 1108580.751 1195371.868 1052684.825 796369.1396 1473895.114 655186.2321 PC(17:0_18:1) 9661690.682 8937119.553 12207883.63 12520107.5 13390766.27 17686381.92 16781740.63 10735919.68 13425451.81 14983021.96 11941481.09 15169068.97 13831017.31 12869079.35 13457252.52 16009749.95 16532885.66 12597950.15 15344034.01 13873684.47 10380216.95 8443788.91 11515189.23 17068085.42 6306384.855 7619809.553 6818375.528 8226609.418 21026650.31 21213545.06 17793587.12 14154946.7 20787050.1 25293270.49 15147951.95 17102126.76 14758512.27 16335379.96 15603764.93 PC(17:0_18:2) 185039.3623 172510.7399 137819.709 185365.0791 288884.5262 265486.3512 114055.1458 243610.9867 265289.7936 170078.1067 181265.59 338384.8656 289446.2521 319321.0042 347889.2811 225340.2313 248249.956 201432.5097 493661.245 450824.5889 147326.0736 508031.5322 300050.3457 341477.7877 231963.5954 556649.062 323802.0499 400732.4969 458574.9636 317029.6033 324651.9803 339285.2769 386869.4192 358790.4874 324102.2379 349977.6592 507261.1927 348085.2615 493230.1912 PC(17:0_20:4) 16453053.24 15447293.56 22407362.41 18232277.21 21376303.63 18381108.14 18190785 16257943.55 25183437.01 27776269.67 30097088.46 34199071.4 27550611.1 25912529.25 24484918.58 21114238.87 23514127.4 24343780.26 21477712.09 20192477.19 15569169.77 21678196.32 18435064.26 20035530.06 16148393.43 14614698.44 16534162.47 20890024.37 30687581.82 29566604.05 32110464.86 14441461.78 28694258.74 31464256.37 29216651.32 37861619.66 25961078.43 26776468.69 31346774.11 PC(17:1_18:2) 1417535.74 3454684.223 1912382.485 2271821.702 901087.2862 4372880.249 4464953.52 3237387.586 1016908.155 1225679.221 1609977.581 1381065.47 1226701.427 1368603.718 4541481.214 1417788.371 1716502.024 2440970.546 2311377.802 1779862.008 1865640.995 1607844.688 1911031.08 2953770.654 1320695.639 1312652.25 1997795.23 2086854.775 3208441.163 5035473.446 3691442.385 2220260.362 4359141.306 5414892.046 3554849.299 4708988.011 2967750.155 4603530.139 3636650.495 PC(18:0_18:1) 199795777.3 231419563.9 270372266.2 258662232.2 220399059.3 227331703 299445453 149193180.3 219199372.4 236510781.4 217576295 211985706.1 239669849.2 257896787.5 255039627.4 238231381.3 253556044.1 291317139.7 297819735.6 329186767.6 231999785.4 306651782.7 246678744.1 343293844.2 247387200.2 304840761.5 247766169.4 311285409.9 475330445.5 547917763.8 461711295.3 317330749.4 494043496.2 570580808.7 461670792 442256884.3 390306880.2 410702605.9 391529818.4 PC(18:0_18:2) 211627811.3 431526823 337443357.5 330462014 506470122.4 607835114.5 756980392.2 343982563.6 557965305.2 502667809.7 458673359.6 560887101.8 705381485.3 656785068.4 630002436.2 478441799.9 467581922.5 460444106.6 334434641.1 523702561.4 317572907.5 377272526.9 328580608.8 451746221.4 230479573.2 337276727.6 287658158.4 356845558.2 725237437.6 923137121.6 689223445.5 505184333.7 566178390.5 672100311.3 636415945.9 687048687 538343596.8 649901661.9 527121217.6 PC(18:0_24:6) 385549.7528 510947.9282 832854.2782 697229.5872 483887.1513 510442.0045 194262.2153 609389.6187 716555.8228 878385.4444 912494.6625 1112818.077 900908.4812 1023726.656 1078042.84 972685.3587 1156573.543 1209598.437 797256.8037 501285.0391 770892.0704 808372.9133 719697.4036 917912.4476 883981.6784 590038.9124 776958.1117 725795.0581 1191989.759 801421.9139 1342894.543 879609.7771 1406601.393 1227652.427 835111.0471 1214967.7 980460.3336 815424.1642 914445.3732 PC(18:1_18:2) 147491163.6 253961769 202919107.2 219063914.1 255782502.4 316281932.1 373817370.6 179257113.4 248057364.7 270203484.6 195787942.2 241752603.2 272142256.5 297357878.6 341679198.2 293733432.5 296235105.6 244938223.8 222356153.6 209686911.7 141319312.7 193690320.2 162573728.9 249428329.2 130217473 139689180.2 171234285.7 208377492.9 269828657.3 349311972.9 224694431.1 217925524.7 283384936 349526736.6 264450162.1 294788835.4 234899282.8 289220739.7 283610773.3 PC(18:1_22:6) 25570356.18 39827275.85 33543507.63 28552432.44 29791799.1 42840415.8 29114587.07 44643284.86 38278027.61 35373258.97 44237377.84 35863338.15 33016224.5 31847890.33 28280919.59 29415492.63 33383519.48 18475648.76 66245629.65 28674792.59 25277125.04 28701864.23 28145701.48 41590754.35 16901614.38 11700215.7 29053646.49 27211684.89 19197792.23 12411535.25 31236610.09 23053564.1 15597449.48 14914490.57 9722698.413 16300788.47 16513280.08 11588926.44 19191260.74 PC(18:2_18:2) 46883986.74 150537303.5 69997049.26 85537276.8 133036781.6 187481531 180315071.2 95543039.47 153512903.3 115951726.7 85601287.26 133346144 149436169.9 151301431.4 140293470.6 130635364.1 129580248.7 94226688.73 49337015.34 52859381.52 33994222.17 51715167.05 34797787.4 60634855.14 30552080.24 29478182.04 51590277.48 54205768.96 72188384.6 113861933.6 57902599.21 65471732.46 77654182.47 97624794.29 70707190.63 94461606.27 62646167.81 87727927.25 75598126.73 PC(18:2_22:5) 15708619.04 15873215.92 23423237.38 24793182.01 20439238.61 18782086.18 20136816.46 17549353.52 25119204.33 18280305.54 12394036.84 19131846.83 17016360.8 15675583.8 17997077.34 20423599.43 18077176.56 19351721.61 15456281.81 8009072.929 7164222.097 15784102.94 11362693.56 11678683.42 12925292.89 11939670.46 16016926.57 16217818.27 5553321.821 7109662.715 4199886.416 8680293.283 8198139.491 7717300.415 8589966.756 8683379.164 9265888.991 9060629.769 8214533.04 PC(18:2_22:6) 327840720.2 372746875.1 357769619.6 344546438.3 407600402.9 401336682.1 299848795.3 407260130.9 386059003.9 306921083.8 298497735.2 289570742.3 310495453.1 263241723.9 258245244.7 247515902.6 275826417.3 255335673.6 252412422.2 174785572.8 159946155 265781397.3 202417661.4 193405321.1 237060802.4 196130486 228928791.2 205514700.6 115753109.4 75953748.33 95126604.93 194402283 123569560.5 112417400 117065348.5 140310182.1 157837280.9 123151823.6 141443427.9 PC(18:3_18:2) 399223.4045 1355176.423 617206.6998 729724.4711 1567150.717 2502780.57 1598722.379 1106945.462 3972473.68 1032928.755 755385.4372 1354511.4 1525559.706 1063848.271 1167527.011 1439447.518 1204054.094 824126.8789 577294.0894 436611.3013 299953.9283 637523.4068 368849.2529 689864.2471 419734.1793 330770.1688 630934.2239 590850.0819 778901.5156 838208.0729 560387.8532 515762.7475 1016392.348 1186167.273 723547.2084 1143987.07 711110.869 1113502.451 977530.7159 PC(19:0_20:4) 15620161.97 14745434.24 23493183.65 16405805.58 16359549.29 14680659.29 13529981.6 17401698.3 23604031.41 25127287.04 22742764.77 34676277.44 23223319.57 22771160.68 19635248.22 17382772.81 17637141.44 22773807.51 7019016.277 6123671.192 5545161.604 6893710.246 6340336.876 5643539.35 5507334.209 4964623.437 4288085.581 6606158.39 8101217.279 10194821.25 12634909.22 3827546.822 8813404.16 10005686.51 9181639.126 12551878.56 7857915.236 8145394.52 9549891.853 PC(20:0_18:2) 1955854.558 6390450.202 3389976.064 3083489.438 7149889.916 8540362.357 9652754.012 5016544.382 10279351.29 6103584.737 5784639.163 8073893.73 11099618.66 7154303.99 6965064.833 5081725.694 5114765.443 5583590.368 2930705.239 3563604.59 2413423.193 4088851.76 2407979.084 4565050.357 2139145.444 2590407.835 3831044.27 2617517.123 7038459.781 8007258.764 4804137.566 3037944.883 5826417.308 5632458.433 7020966.747 5117553.91 3745632.213 6619305.436 4555910.103 PC(20:2_20:4) 2798601.575 3205854.202 3983806.671 4902159.492 3617241.814 3266109.8 3861635.547 4084963.321 4827093.227 5601508.419 5824217.815 5577831.193 6450327.895 7479436.799 6294138.946 4079580.689 5567428.461 5280051.022 9106198.848 7977277.61 7124855.738 7716200.267 6995298.286 7332679.68 6858912.477 7010344.705 6150526.601 7821101.871 11016841.76 7705657.627 10655791.03 10010565.23 7859203.493 9252853.385 9566643.082 11988619.21 9064647.457 8821013.126 11437476.48 PC(20:3_22:6) 8291319.098 5474073.613 7037514.677 5489351.354 6151560.678 5465298.334 3537172.457 7944110.437 6327398.897 5146384.463 4404651.226 4962818.404 3988813.487 4419008.409 4648558.453 4597770.344 5909228.116 5822606.508 6421601.374 4278990.905 4228792.471 7550028.09 7101022.741 3609296.87 13347459.41 7429303.924 7220807.2 8458571.177 2745017.292 1975128.311 2396006.119 3207637.376 4145023.044 3345539.878 4351195.153 3844220.817 5075685.979 3473965.292 3612458.215 PC(22:5_22:6) 1790688.361 988442.8108 1528024.15 1228479.802 967338.6356 987483.7798 891795.8718 1464966.06 1293088.374 1065559.006 713140.5361 1322799.977 751191.141 926974.6208 1021095.643 1333277.295 1221426.054 1250041.964 1253568.378 704680.0352 953422.7674 1293971.158 1439678.782 960824.9575 2040771.093 1462083.981 1635012.352 1419159.103 528268.4488 611550.0657 454473.6078 735352.1779 851605.9177 873203.2391 845513.129 930736.5248 935059.4114 1000126.647 866684.0528 PC(O-18:0/22:4) 353920.455 449860.2267 496342.2043 379400.7743 382515.7218 227286.3987 214653.3455 167834.9557 391397.8741 757827.7371 871958.1414 532713.385 853585.0355 1035395.608 1412250.176 565031.0201 644383.7998 420169.0603 216436.1343 298667.1551 362827.9494 310081.9201 277370.8428 449045.9809 242347.2738 1692969.989 346656.552 609595.7139 311837.0806 329764.478 452604.059 1163684.958 501791.3477 341388.5652 387176.3838 314696.915 676583.5638 313911.1761 368852.9182 PC(O-18:1/18:1) 1090729.54 1232372.424 964581.2189 1094855.212 894988.0207 972332.1085 944755.8363 943471.7627 973319.194 1392348.988 1727726.289 1452425.204 1697812.826 2122017.347 2879527.115 1544009.408 2853968.062 1320881.539 1416150.249 1383599.718 1588792.138 1393853.095 1383193.983 1190021.232 1210325.645 1485477.145 869356.4743 1334269.622 1636607.863 785209.5023 1910582.042 2036850.61 1991673.753 1875416.016 1828101.204 1218012.513 1969305.679 1959691.72 2120311.776 PC(O-18:1/22:4) 1986124.521 1676905.254 2182242.125 2153663.946 1604411.364 1502250.378 1802211.565 2153280.491 2279043.244 3787112.549 3266423.232 3029207.121 2976664.719 3178565.148 4249719.392 3568427.563 3562127.247 3256068.432 2316022.487 1984526.012 2306501.129 2428134.638 2523711.117 2158624.515 2297969.631 1734675.069 2280820.454 2005727.498 2671124.42 2538940.146 2632722.023 2179745.013 2924042.596 2925462.201 2482611.445 2691213.829 2403601.672 2414528.229 1931696.743 PC(O-18:2/20:4) 566081.1156 764394.9079 1000842.076 688674.8951 874398.9542 1073973.854 839559.3891 1101813.124 1053177.538 1291393.137 2136925.962 1811623.241 2105084.139 1809738.779 1567628.492 1226765.035 1916432.715 793003.2067 649736.9841 719606.5343 1022346.383 961294.224 788330.3783 816151.7251 657028.4361 554269.9808 752660.2727 805493.1623 834179.1946 651890.5593 1011248.43 1379135.594 1063531.901 1056909.281 957755.7312 1085767.938 991291.7441 1047163.198 1118735.742 PE(16:0_18:2) 3152076.689 6591241.351 4728779.596 5100008.449 8318366.669 11206165.72 12866607.01 4887179.653 7365208.922 6562399.559 5725593.942 6692248.693 10859833.67 7314255.833 9256235.266 7516278.397 7223103.177 7308315.295 4018086.772 4092327.086 2616668.611 3611224.556 2766552.536 4033062.45 2125393.443 2976923.983 2714784.859 3466261.259 6797109.028 9481941.139 5752575.313 4705926.497 7459449.214 9544264.886 5364781.859 6869921.803 5008607.242 6284796.718 5964917.812 PE(16:0_20:3) 404886.2445 668824.8698 575067.9923 521827.778 691609.1071 655002.0354 604138.6378 371846.4503 446117.9838 803295.7116 406315.0352 790264.3859 621110.1691 563896.6861 869974.7982 818717.9776 779770.6986 821091.3747 557762.1036 601013.905 400819.3624 618570.4617 498199.144 768726.3812 756885.0812 586053.5725 433299.179 528123.0936 1046231.007 813657.9516 763918.0586 593734.7397 1078304.051 1112061.479 669310.0331 1159949.771 587836.0675 1339099.285 819199.5322 PE(16:0_20:4)_A 11519945.5 9015315.131 15596833.99 11656777.52 13948735.64 12358666.82 15292815.81 9705539.842 14021643.62 14495928.46 15693253.88 14605277.53 19624766.43 14102883.23 19340158.13 13069165.68 12370238.87 20128800.03 16136849.54 16454237.35 9653271.371 15296542.94 12570342.94 13530822.43 11459006.39 10181386.2 10905553.49 15504655.05 24872197.48 25834177.67 21089484.52 15019254.38 22149795.74 28386315.92 20529852.84 25304794.77 17791475.15 17914321.38 21977644.86 PE(16:0_20:4)_B 79644.4816 78436.97026 221874.4202 122740.7635 196400.6692 133722.7106 172469.2098 65174.59863 226845.5636 194766.9021 232593.0297 231919.3207 403166.6738 208263.3571 408532.728 206531.2651 178122.71 403947.7033 314536.667 212811.8287 57798.35777 256960.7472 161653.0355 232257.5312 164025.7751 65618.97088 121556.9701 195291.3418 574318.5729 521739.8587 446022.7218 165159.0241 465375.2907 795335.8412 366498.3049 611662.236 275212.5575 289692.1804 453775.8839 PE(17:0_22:5) 374990.8774 640477.3861 471969.2865 417226.4363 590529.2607 499187.3653 690017.3785 698744.7479 557157.9722 743383.8801 867352.1443 804338.7553 933029.0255 667846.6375 678987.3081 984667.9529 664302.7816 1039026.495 692576.8777 469723.4538 478200.7932 283039.5367 429439.8514 632355.6195 489170.747 369220.6063 438227.1159 393448.1521 868630.9186 905953.8925 1060693.764 478561.2147 1035874.834 719819.4935 566383.7332 176064.5715 411965.4368 690193.2861 537941.4321 PE(18:0_18:2) 6212145.727 15995152.14 11929696.04 12368534.03 27959816.26 34262326.42 40050930.17 13134451.92 27188455.83 19729188.72 16823099.25 19875154.51 39240520 23076742.18 23751803.27 18215045.52 21110925.82 17504833.51 12244079.15 9865198.181 7520194.545 10448055.33 7779898.894 12070249.45 6493784.674 9254122.619 7462026.776 11100285.67 23952290.92 37626405.63 21313803.52 10749423.96 20741967.16 30720198.04 19585011.94 26947200.34 18423670.86 17257338.75 22534381.1 PE(18:0_20:3) 73308.90034 102243.7695 82710.284 127623.7972 106025.758 90959.15439 164098.381 87044.75613 125326.7034 222222.3226 134556.7992 135062.0527 183927.3544 181329.142 164790.3758 210650.8169 170772.3539 165357.7337 211571.2659 94862.85379 58404.93467 150845.3584 123015.9083 233839.6459 153308.719 51165.99205 111480.981 97723.40134 328568.2984 255629.8474 329939.1329 107599.7678 305545.2949 245812.9013 153687.6945 334006.532 196044.3763 172571.501 279182.3043 PE(18:1_18:2) 2592931.91 5617042.139 3915301.875 4402758.806 6355232.71 9216883.73 11717327.67 3972865.442 6267493.513 6150733.655 4567110.822 5769108.712 8326623.353 7272570.815 8225881.807 6494248.859 7056700.108 5552116.328 4132587.594 7174728.386 3282043.028 3914212.067 3343583.375 5013536.059 2273089.503 3276984.039 2652964.747 3523102.341 8596320.469 11387240.35 6338253.771 7385829.234 7341787.782 10705338.03 6557413.566 8268236.935 5320729.983 7873913.509 7422188.234 PE(18:1_20:4)_A 310090.0125 671269.2107 480482.1043 390787.7982 640370.7364 768038.7061 687054.5152 578555.4844 733372.1938 526947.546 572613.8653 878660.3208 805058.881 651968.1225 876773.4234 758460.2668 762859.0182 622055.2387 559944.4588 516258.2984 299097.6499 634890.0884 419390.2523 527021.9897 415920.6389 240888.6109 373041.1432 430170.3817 900190.702 994697.1017 742856.8836 478647.4394 779335.5498 877222.6979 579344.1431 757996.3926 434913.4989 772130.8595 688553.5559 PE(18:1_20:4)_B 14695644.26 12511363.31 22944914.45 15931679.49 17351286.16 18741781.11 24039414.87 12639840.84 21569255.92 26801240.16 24054711.17 20438450.26 27469595.97 23298507.74 24411339.06 18218538.56 18482391.89 27840740.75 26039151.88 39505951.89 19395345.33 26549931.79 23262814.34 32387692.84 23105394.76 15410863.57 17083696.25 25796119.36 50153348.35 46145905.24 34526844.34 29864265.63 31737717.79 50206044.22 31607299.5 45345133.39 27973879.84 29141665.04 40929087.91 PE(18:2_18:2) 616146.0891 2443794.522 978809.2986 1188428.585 2371478.482 3639282.773 3904990.992 1397394.027 2155841.91 1754074.751 1197062.98 2033276.832 2811370.035 2290368.774 2490120.394 2196299.966 1947181.227 1426480.829 805255.9745 868009.187 564304.8379 849679.4856 541056.2456 1053450.178 435857.525 655524.7552 566397.4585 641413.6395 1455989.678 2045402.912 1091894.197 1169423.95 1439370.512 2137189.024 1168616.885 1931914.979 1096753.97 1884011.209 1516294.567 PE(18:2_20:4) 1150832.15 2036123.084 1894852.249 1430850.793 2254519.402 2646122.633 2917537.683 1679540.521 2625007.423 1990057.635 1885928.152 2499705.335 2931859.172 2416260.25 2589763.732 1769951.536 1475515.928 2029703.307 2097665.047 2303809.031 1416475.245 2177883.367 1695761.783 2369735.638 1326678.269 1273727.304 1245335.457 1640482.92 3122523.997 4050133.004 2869656.969 1697976.821 2174493.03 2843395.513 2418293.117 3072051.781 2063733.705 2619425.735 2646423.295 SM(d18:0/16:0) 128575.4298 206474.6003 180930.6269 183203.6103 206079.955 285972.4793 329564.493 309602.2719 223797.0205 260778.5081 319017.5689 410478.3318 511905.7305 673155.634 777945.5164 422054.5129 337240.2003 215357.7145 241210.932 390244.4324 1183324.612 224341.5983 416140.3893 486142.7559 295370.5333 362252.7657 355589.6772 341010.909 862565.5199 1112312.263 1171882.221 521091.7278 684001.0503 594815.2864 738655.145 667301.7456 553254.4167 827471.9211 804646.2474 SM(d18:1/16:0(OH)) 510371.2224 677752.4033 824751.3163 452941.5097 538776.9614 783880.1033 590526.6475 734098.6995 507841.4582 994255.3186 1445179.819 887473.1808 1682404.524 1180936.762 901969.3529 886201.7785 1047982.224 843631.5296 766745.1516 941190.8376 1662274.615 843828.0654 970800.21 768590.1528 957466.0037 1163294.805 774235.1919 921760.4505 1355232.046 1135507.132 2063242.945 1110794.786 1233188.008 1149662.286 1086242.975 1320033.002 1374332.694 1128019.118 1762962.277 SM(d18:2/16:0) 408228.2177 440128.5954 532029.6779 437105.3486 287244.9771 362124.6912 305729.8683 460444.9742 367148.8277 585196.5377 556790.0549 580696.6168 608409.8191 695064.2023 671968.3258 529737.549 623963.6338 525727.7237 747641.008 764977.5645 1382925.233 833969.4723 816756.6379 826602.1224 712949.3979 725460.277 656009.9452 638344.6772 857083.1566 945540.7371 958341.134 762004.1304 929731.7995 919669.3775 822323.3656 891337.3506 821953.5895 1108258.091 1066528.038 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CAR 14:1_A CAR 14:0 CAR 14:1_B CAR 14:2 CAR 16:1 CAR 18:1(OH) CAR 18:2(OH) CAR 18:3_A CAR 18:3_B Cer(d18:1/20:0) CL 76:12 GlcCer(d18:1/16:0) GlcCer(d18:1/24:1) LPC 16:1 LPC 22:6_A LPC 22:6_B LPE 22:4 PC(14:0_18:2) PC(14:0_20:4) PC(15:0_16:0) PC(15:0_18:2) PC(16:0_16:1) PC(16:0_22:5) PC(16:0_22:7) PC(16:0_24:6) PC(16:1_16:0) PC(16:1_18:2) PC(16:1_20:4) PC(16:1_22:6) PC(16:2_18:2) PC(17:0_18:1) PC(17:0_18:2) PC(17:0_20:4) PC(17:1_18:2) PC(18:0_18:1) PC(18:0_18:2) PC(18:0_24:6) PC(18:1_18:2) PC(18:1_22:6) PC(18:2_18:2) PC(18:2_22:5) PC(18:2_22:6) PC(18:3_18:2) PC(19:0_20:4) PC(20:0_18:2) PC(20:2_20:4) PC(20:3_22:6) PC(22:5_22:6) PC(O-18:0/22:4) PC(O-18:1/18:1) PC(O-18:1/22:4) PC(O-18:2/20:4) PE(16:0_18:2) PE(16:0_20:3) PE(16:0_20:4)_A PE(16:0_20:4)_B PE(17:0_22:5) PE(18:0_18:2) PE(18:0_20:3) PE(18:1_18:2) PE(18:1_20:4)_A PE(18:1_20:4)_B PE(18:2_18:2) PE(18:2_20:4) SM(d18:0/16:0) SM(d18:1/16:0(OH)) SM(d18:2/16:0) METABOLITES_END #END