#METABOLOMICS WORKBENCH AnthonyDon_20240320_214956 DATATRACK_ID:4732 STUDY_ID:ST003168 ANALYSIS_ID:AN005199 PROJECT_ID:PR001927 VERSION 1 CREATED_ON April 12, 2024, 9:12 am #PROJECT PR:PROJECT_TITLE The Human Cardiac “Age-OME”: Age-specific changes in myocardial molecular PR:PROJECT_TITLE expression PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY A substantial proportion of the World’s population is ageing. One of the most PR:PROJECT_SUMMARY significant risk factors for heart disease is ageing. However, we do not PR:PROJECT_SUMMARY understand how the human heart changes with age. Taking advantage of a unique PR:PROJECT_SUMMARY set of pre-mortem, cryopreserved, non-diseased human hearts, we performed PR:PROJECT_SUMMARY multi-omic analyses (transcriptomics, proteomics, metabolomics and lipidomics), PR:PROJECT_SUMMARY coupled with biological computational modelling in younger (<25 years old) and PR:PROJECT_SUMMARY older hearts (>50 years old) to describe the molecular landscape of human PR:PROJECT_SUMMARY cardiac ageing. In older hearts, we observed a downregulation of proteins PR:PROJECT_SUMMARY involved in calcium signalling and of the contractile apparatus itself. In PR:PROJECT_SUMMARY addition, we found a potential counteractive upregulation of central carbon PR:PROJECT_SUMMARY generation of fuel, upregulation of glycolysis and increases in long-chain fatty PR:PROJECT_SUMMARY acids. This is the first molecular data set of normal human cardiac ageing, PR:PROJECT_SUMMARY which may have important implications for the development of age-related heart PR:PROJECT_SUMMARY disease. PR:INSTITUTE University of Sydney PR:DEPARTMENT School of Medical Sciences PR:LABORATORY Cardiometabolic Medicine PR:LAST_NAME Don PR:FIRST_NAME Anthony PR:ADDRESS The Hub, Charles Perkins Centre, D17, The University of Sydney, NSW, 2006 PR:EMAIL anthony.don@sydney.edu.au PR:PHONE +61 2 8627 5578 #STUDY ST:STUDY_TITLE Lipidomic analysis of cryopreserved human cardiac tissue from young and ageing ST:STUDY_TITLE adults ST:STUDY_SUMMARY Untargeted lipidomic analysis was performed to measure lipids in left ST:STUDY_SUMMARY ventricular heart tissue from pre-mortem healthy donor hearts, as classified by ST:STUDY_SUMMARY formal pathological examination. Hearts were stored at the Sydney Heart Bank. ST:STUDY_SUMMARY Samples were divided into young (age ≤ 25 years) and old (age ≥ 50 years) ST:STUDY_SUMMARY cohorts. Lipidomic analysis used liquid chromatography-tandem mass spectrometry ST:STUDY_SUMMARY (LC-MS/MS) on a high resolution Q-Exactive HF-X Quadrupole-Orbitrap mass ST:STUDY_SUMMARY spectrometer, operated in both positive and negative ionisation mode. ST:INSTITUTE University of Sydney ST:DEPARTMENT Medicine and Health ST:LABORATORY Lipid Metabolism and Neurochemistry ST:LAST_NAME Don ST:FIRST_NAME Anthony ST:ADDRESS The Hub, Charles Perkins Centre, D17, The University of Sydney, NSW, 2006 ST:EMAIL anthony.don@sydney.edu.au ST:PHONE +61 2 8627 5578 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 23 ST:NUM_MALES 15 ST:NUM_FEMALES 8 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE Young donors (aged 25 years or younger) and older donors (aged 50 years or SU:AGE_OR_AGE_RANGE older). SU:GENDER Male and female #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 young_1 young_1 Sample source:Heart | Sex:M | Age group:young Age=14; Diabetes=No; RAW_FILE_NAME(rawdata name)=78 SUBJECT_SAMPLE_FACTORS young_2 young_2 Sample source:Heart | Sex:M | Age group:young Age=14; Diabetes=No; RAW_FILE_NAME(rawdata name)=79 SUBJECT_SAMPLE_FACTORS young_3 young_3 Sample source:Heart | Sex:M | Age group:young Age=16; Diabetes=No; RAW_FILE_NAME(rawdata name)=80 SUBJECT_SAMPLE_FACTORS young_4 young_4 Sample source:Heart | Sex:M | Age group:young Age=17; Diabetes=No; RAW_FILE_NAME(rawdata name)=81 SUBJECT_SAMPLE_FACTORS young_5 young_5 Sample source:Heart | Sex:M | Age group:young Age=18; Diabetes=No; RAW_FILE_NAME(rawdata name)=82 SUBJECT_SAMPLE_FACTORS young_6 young_6 Sample source:Heart | Sex:M | Age group:young Age=19; Diabetes=No; RAW_FILE_NAME(rawdata name)=83 SUBJECT_SAMPLE_FACTORS young_7 young_7 Sample source:Heart | Sex:F | Age group:young Age=19; Diabetes=No; RAW_FILE_NAME(rawdata name)=84 SUBJECT_SAMPLE_FACTORS young_8 young_8 Sample source:Heart | Sex:M | Age group:young Age=19; Diabetes=No; RAW_FILE_NAME(rawdata name)=85 SUBJECT_SAMPLE_FACTORS young_9 young_9 Sample source:Heart | Sex:M | Age group:young Age=21; Diabetes=No; RAW_FILE_NAME(rawdata name)=86 SUBJECT_SAMPLE_FACTORS young_10 young_10 Sample source:Heart | Sex:F | Age group:young Age=23; Diabetes=No; RAW_FILE_NAME(rawdata name)=87 SUBJECT_SAMPLE_FACTORS young_11 young_11 Sample source:Heart | Sex:M | Age group:young Age=23; Diabetes=No; RAW_FILE_NAME(rawdata name)=88 SUBJECT_SAMPLE_FACTORS young_12 young_12 Sample source:Heart | Sex:F | Age group:young Age=25; Diabetes=No; RAW_FILE_NAME(rawdata name)=89 SUBJECT_SAMPLE_FACTORS old_1 old_1 Sample source:Heart | Sex:F | Age group:old Age=51; Diabetes=No; RAW_FILE_NAME(rawdata name)=94 SUBJECT_SAMPLE_FACTORS old_2 old_2 Sample source:Heart | Sex:M | Age group:old Age=53; Diabetes=No; RAW_FILE_NAME(rawdata name)=95 SUBJECT_SAMPLE_FACTORS old_4 old_4 Sample source:Heart | Sex:M | Age group:old Age=54; Diabetes=No; RAW_FILE_NAME(rawdata name)=97 SUBJECT_SAMPLE_FACTORS old_5 old_5 Sample source:Heart | Sex:F | Age group:old Age=54; Diabetes=No; RAW_FILE_NAME(rawdata name)=98 SUBJECT_SAMPLE_FACTORS old_7 old_7 Sample source:Heart | Sex:F | Age group:old Age=55; Diabetes=No; RAW_FILE_NAME(rawdata name)=99 SUBJECT_SAMPLE_FACTORS old_8 old_8 Sample source:Heart | Sex:M | Age group:old Age=56; Diabetes=No; RAW_FILE_NAME(rawdata name)=100 SUBJECT_SAMPLE_FACTORS old_9 old_9 Sample source:Heart | Sex:M | Age group:old Age=60; Diabetes=No; RAW_FILE_NAME(rawdata name)=101 SUBJECT_SAMPLE_FACTORS old_10 old_10 Sample source:Heart | Sex:M | Age group:old Age=62; Diabetes=No; RAW_FILE_NAME(rawdata name)=102 SUBJECT_SAMPLE_FACTORS old_11 old_11 Sample source:Heart | Sex:F | Age group:old Age=62; Diabetes=No; RAW_FILE_NAME(rawdata name)=103 SUBJECT_SAMPLE_FACTORS old_12 old_12 Sample source:Heart | Sex:M | Age group:old Age=65; Diabetes=No; RAW_FILE_NAME(rawdata name)=104 SUBJECT_SAMPLE_FACTORS old_13 old_13 Sample source:Heart | Sex:F | Age group:old Age=65; Diabetes=No; RAW_FILE_NAME(rawdata name)=105 #COLLECTION CO:COLLECTION_SUMMARY Control donor hearts that were considered suitable for transplantation but CO:COLLECTION_SUMMARY ultimately not used due to factors such as transport issues, immune mismatches, CO:COLLECTION_SUMMARY and size discrepancies between donor and recipient, were collected in this CO:COLLECTION_SUMMARY study. These hearts came from individuals who died of non-cardiac reasons and CO:COLLECTION_SUMMARY had no risk factors for heart disease, including having a BMI under 30. CO:COLLECTION_SUMMARY Following a thorough pathological review, these hearts were confirmed to be CO:COLLECTION_SUMMARY structurally normal through histological evaluation. Left ventricular (LV) CO:COLLECTION_SUMMARY samples were taken directly in the operating room, immediately snap-frozen in CO:COLLECTION_SUMMARY liquid nitrogen at -196°C, and then stored at the Sydney Heart Bank at the CO:COLLECTION_SUMMARY University of Sydney, at temperatures ranging from -170 to -180°C. This CO:COLLECTION_SUMMARY collection process received ethical approval from the University of Sydney's CO:COLLECTION_SUMMARY Ethics Committee (USYD # 2021/122). CO:COLLECTION_PROTOCOL_ID CO003212 CO:SAMPLE_TYPE Heart CO:STORAGE_CONDITIONS Described in summary #TREATMENT TR:TREATMENT_SUMMARY The samples detailed in this study did not undergo any treatment. TR:TREATMENT_PROTOCOL_ID TR003228 #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Lipids were extracted from ~20 mg heart tissue using a two-phase method with SP:SAMPLEPREP_SUMMARY methyl-tert-butyl ether (MTBE) and water. Tissue was homogenised with steel SP:SAMPLEPREP_SUMMARY beads in 250 µL methanol containing 0.01% (w/v) butylhydroxytoluene (BHT) and SP:SAMPLEPREP_SUMMARY mass spectrometry internal standards: 2 nmoles PC(19:0/19:0); 1 nmole each of SP:SAMPLEPREP_SUMMARY SM(d18:1/12:0), GluCer(d18:1/12:0), Cer(d18:1/17:0), PS(17:0/17:0), SP:SAMPLEPREP_SUMMARY PE(17:0/17:0), PA(17:0/17:0), PI(d7-18:1/15:0), PG(17:0/17:0), SP:SAMPLEPREP_SUMMARY CL(14:0/14:0/14:0/14:0), and TG(17:0/17:0/17:0); 0.5 nmoles each of SP:SAMPLEPREP_SUMMARY DG(d7-18:1/15:0), CholE(17:0), LPC (17:0), LPE(17:1), and AcCa(d3-16:0); and 0.2 SP:SAMPLEPREP_SUMMARY nmole each of Sph(d17:1), S1P(d17:1), LacCer(d18:1/12:0), and MG(d7-18:1). MTBE SP:SAMPLEPREP_SUMMARY (850 µL) was added, and samples were sonicated in a 4°C water bath for 30 min. SP:SAMPLEPREP_SUMMARY Mass spectrometry grade water (212 µL) was added to induce phase separation SP:SAMPLEPREP_SUMMARY after vortexing and centrifugation at 2000g for 5 min. The upper organic phase SP:SAMPLEPREP_SUMMARY was collected in 5 mL glass tubes and the aqueous phase was extracted twice more SP:SAMPLEPREP_SUMMARY with 500 µL MTBE and 150 µL methanol followed by sonication for 15 min and SP:SAMPLEPREP_SUMMARY phase separation with 125 µL water. Organic phases from the three extractions SP:SAMPLEPREP_SUMMARY were combined and dried under vacuum in a Savant SC210 SpeedVac (ThermoFisher SP:SAMPLEPREP_SUMMARY Scientific). Lipids were reconstituted in 400 µL 80% methanol/20% water/0.1% SP:SAMPLEPREP_SUMMARY formic acid containing 0.01% (w/v) BHT and stored at -80 °C. SP:SAMPLEPREP_PROTOCOL_ID SP003225 #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY A ThermoFisher Q-Exactive HF-X mass spectrometer coupled to a Vanquish HPLC with CH:CHROMATOGRAPHY_SUMMARY a Waters Acquity UPLC BEH C18 (100 x 2.1 mm, 1.7 um) column was used for CH:CHROMATOGRAPHY_SUMMARY LC-MS/MS, with minor modifications to our previously-reported method. HPLC CH:CHROMATOGRAPHY_SUMMARY solvent A was 10 mM ammonium formate, 0.1% formic acid in acetonitrile:water CH:CHROMATOGRAPHY_SUMMARY (60:40), and solvent B was 10 mM ammonium formate, 0.1% formic acid in CH:CHROMATOGRAPHY_SUMMARY isopropanol:acetonitrile (90:10). A 27 min binary gradient at 0.28 mL/min was CH:CHROMATOGRAPHY_SUMMARY used: 0 min, 80:20 A/B; 3 min, 80:20 A/B; 5.5 min, 55:45 A/B; 8 min, 35:65 A/B; CH:CHROMATOGRAPHY_SUMMARY 13 min, 15:85 A/B; 14 min, 0:100 A/B; 20 min, 0:100 A/B; 20.2 min, 70:30 A/B; 27 CH:CHROMATOGRAPHY_SUMMARY min, 70:30 A/B. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters HPLC C18 (100 x 2.1mm, 1.7um) CH:SOLVENT_A 60% acetonitrile/40% water; 10 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 90% isopropanol/10% acetonitrile; 10 mM ammonium formate; 0.1% formic acid CH:FLOW_GRADIENT 0 min, 80:20 A/B; 3 min, 80:20 A/B; 5.5 min, 55:45 A/B; 8 min, 35:65 A/B; 13 CH:FLOW_GRADIENT min, 15:85 A/B; 14 min, 0:100 A/B; 20 min, 0:100 A/B; 20.2 min, 70:30 A/B; 27 CH:FLOW_GRADIENT min, 70:30 A/B CH:FLOW_RATE 0.28 mL/min CH:COLUMN_TEMPERATURE 32 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF-X Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Data was acquired in full scan/data-dependent MS2 mode (full scan resolution MS:MS_COMMENTS 60,000 FWHM, scan range 220–1600 m/z). Sample order was randomised, and data MS:MS_COMMENTS was collected in both positive and negative mode for each sample. The ten most MS:MS_COMMENTS abundant ions in each cycle were subjected to MS2, with an isolation window of MS:MS_COMMENTS 1.4 m/z, collision energy 30 eV, resolution 17,500 FWHM, maximum integration MS:MS_COMMENTS time 110 ms and dynamic exclusion window 10 s. An exclusion list of background MS:MS_COMMENTS ions was used based on a solvent blank. An inclusion list was used for all MS:MS_COMMENTS internal standards. LipidSearch software (version 4.2, Thermo Fisher) was used MS:MS_COMMENTS for lipid annotation, chromatogram alignment, and peak integration. Lipid MS:MS_COMMENTS annotation required both accurate precursor ion mass (tolerance 5 ppm) and MS:MS_COMMENTS diagnostic product ions (tolerance 8 ppm). Individual lipids were expressed as MS:MS_COMMENTS ratios to the class-specific internal standard, then multiplied by the amount of MS:MS_COMMENTS internal standard to calculate molar amounts for each lipid. Lipid levels were MS:MS_COMMENTS expressed as nmoles/mg tissue. MS:MS_RESULTS_FILE ST003168_AN005199_Results.txt UNITS:nanomoles/mg of tissue Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmoles/mg tissue MS_METABOLITE_DATA_START Samples young_1 young_2 young_3 young_4 young_5 young_6 young_7 young_8 young_9 young_10 young_11 young_12 old_1 old_2 old_4 old_5 old_7 old_8 old_9 old_10 old_11 old_12 old_13 Factors Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:F | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:F | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:F | Age group:young Sample source:Heart | Sex:F | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:F | Age group:old Sample source:Heart | Sex:F | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:F | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:F | Age group:old CL(10:0_20:3_14:0_14:0)-H 8.288923188 9.130036375 9.088604918 7.939585707 8.958023221 9.617731548 10.92749872 9.014450992 8.129700305 10.00764969 10.59018499 8.44974482 10.33653914 7.835064143 9.306426922 9.634192094 7.185330425 5.361865872 10.02885348 9.151259775 10.67353588 8.995932818 4.543344643 CL(18:2_16:1_18:2_18:2)-H 36.87053578 11.23406796 7.64857833 13.34392823 19.086226 13.49760996 6.245132909 2.983467885 11.14579575 35.57224102 5.89864007 14.49820293 45.4020347 28.58006511 16.56309138 16.78099502 18.73021353 14.82861284 24.35395946 5.900747653 22.45413145 14.97973924 6.825697904 CL(18:2_18:1_18:2_18:1)-H 6.006793165 3.21559077 5.497547603 4.675082395 14.10995183 2.479186658 3.006043664 1.544772537 5.166824317 5.95231049 5.421676885 8.050304178 13.4370806 2.396337569 4.866025146 5.059892154 6.390454792 4.341636046 4.548003082 5.453453558 8.34348628 3.948288114 1.238746477 CL(18:2_18:1_18:2_18:2)-H 17.09615804 13.33423071 10.1392693 16.35676172 29.69468881 16.43606125 6.761783925 3.835516336 19.92519177 17.47207794 12.13427113 26.09073495 27.44989811 9.566441907 15.48437607 16.87077644 23.00681892 16.2040962 20.73261147 13.32909498 25.25224506 15.35066092 5.49336927 CL(18:2_18:2_18:2_18:2)-H 132.9647036 145.3658224 102.6456602 160.7073956 285.5223135 95.47360128 76.77166806 31.89687847 128.9572699 168.4887617 59.06087529 163.6134803 258.9620136 157.8022149 177.2678838 241.2445881 258.660033 234.4787876 226.471062 52.46975437 142.1420782 222.5423768 68.02596498 CL(18:3_18:2_16:1_22:6)-H 1.034207557 1.078827511 1.021963022 1.163244278 0.896723374 0.099628305 0.481635483 0.10091135 1.244532291 2.2688019 0.287570046 1.745878023 0.597705229 1.243621236 1.128015626 0.493338874 0.271988798 2.06201373 0 0.231612585 1.555265662 1.586458282 0.198362733 CL(20:5_16:1_18:2_18:2)-H 7.256297269 2.1499059 1.217777979 2.314996581 2.678777084 1.132109505 1.115987713 0.328686782 1.240968824 6.657400223 1.086875662 2.770047467 8.662861363 4.599246327 3.089220453 1.517244561 0.899404719 1.83518782 1.768780098 1.193509855 4.008657328 2.905265565 0.819247401 CL(20:5_18:2_18:1_18:2)-H 5.415466906 3.367046368 3.679635956 4.818908427 9.164978823 2.827325892 2.695708137 0.973207886 4.099253642 4.739598349 3.583329878 7.092189663 8.282746879 2.818584415 4.344260928 5.122513535 7.032704566 3.813700652 5.404323858 3.749684613 7.072628297 3.568263242 1.051143447 CL(20:5_18:2_18:2_18:2)-H 26.33884964 30.06563838 21.00025645 31.8418019 61.04560288 19.66878313 16.0594747 6.315154192 15.98434551 33.37955687 14.82694691 33.31858106 50.22297119 31.88917419 36.18505112 46.09019137 55.79274292 25.33798054 43.66374701 11.50721264 39.23354602 45.18524904 7.999781911 LPE(14:0)-H 0.222176594 0.310088514 0.150205314 0.347422861 0.33752669 0.970593621 0.37998009 0.238728711 0.462970893 0.47734518 0.150130469 0.227508376 0.270466079 0.457780087 0.276231482 0.135921549 0.122162958 0.337090901 0.170326377 0.187211428 0.464804294 0.178753897 0.364787287 LPE(16:0)-H 16.23552335 14.31482021 5.963654276 11.98883265 15.35872826 89.72605035 14.4142735 11.11526196 23.3168822 22.09062191 13.16269099 12.2111859 8.543426678 13.29292132 14.67332705 3.370046734 9.334919611 17.73434904 3.371839477 11.04864056 17.71659299 10.16519396 22.00805929 LPE(16:0e)-H 1.582724303 0.773338948 0.18202719 0.654322271 0.691166089 3.227959163 0.626562954 0.453451559 1.774202745 1.842586177 0.882593932 0.756807203 0.373208301 1.583712199 0.790281588 0.233524266 0.351324033 1.096701471 0.162286725 0.892814323 0.952535548 0.702234077 1.507679091 LPE(16:1e)-H 1.753790014 1.064912537 0.839358304 1.0602789 1.14688588 28.05726352 0.769727751 0.915146163 1.091500366 1.805507574 1.228846472 1.135847237 1.398605269 1.186913632 1.436534967 0.356730306 1.204330904 1.666056465 0.96231546 1.241713375 0.688030377 1.007777572 1.118819666 LPE(18:0)-H 75.85110029 87.14917989 34.59599168 78.70648986 79.66516438 679.5488646 86.69061847 56.79931309 173.1738307 102.6540334 79.80103781 102.3879674 42.38989902 89.23657853 85.72084241 15.22288339 41.65785848 90.78518404 9.619362758 80.68059539 70.08684961 62.64344988 109.9479866 LPE(18:0e)-H 1.068674044 0.653207315 0.157166752 0.561779078 0.459066962 4.935894191 0.500154702 0.322114496 1.516591314 1.076402351 0.755317151 0.614254273 0.222411451 1.14006031 0.654816156 0.096307487 0.214272097 0.900477351 0.071899129 0.775028329 0.529510569 0.480015335 1.200265624 LPE(18:1)-H 25.95368282 16.5353032 9.607108806 14.78206789 14.60680779 60.11986874 17.05055338 15.41971857 25.19360586 31.63626829 16.41794461 15.0644021 11.76289185 16.40235655 17.89735686 5.324791798 10.7681026 17.24693381 3.560058288 15.19950338 20.85482605 11.92775938 18.74582058 LPE(18:1e)-H 0.420160841 0.230143795 0.07512007 0.233458586 0.212906374 1.154635663 0.279464028 0.185510428 0.708570232 0.631242572 0.313717404 0.275457689 0.15288165 0.495379899 0.269916916 0.075282274 0.099409619 0.393620041 0.053155964 0.272363777 0.396593668 0.212503471 0.98684142 LPE(18:2)-H 29.54981846 66.19474216 19.80693731 31.14534772 41.50005703 29.79701624 68.43462841 29.83229535 57.54760701 73.65448997 29.15213877 47.63827358 24.91997027 35.12461339 55.06577206 23.03647893 60.94425242 29.62814653 9.589996168 28.15205422 33.33834748 44.38816155 36.98251166 LPE(18:2e)-H 1.365406277 0.595379749 0.510104424 0.505989256 0.595431007 10.48734408 0.564574176 0.515218248 0.568555696 0.925248806 0.733160157 0.609270694 0.997001913 0.614677206 0.889302104 0.188501053 0.732982344 0.95066133 0.482760262 0.540340039 0.415980991 0.80310773 1.113381831 LPE(18:3)-H 0.29983619 0.61609097 0.300949106 0.404883601 0.478142434 0.309520772 0.725607017 0.201296978 0.879550383 1.289754685 0.331432351 0.671283824 0.46714447 0.404987338 0.517197906 0.313923208 0.727306274 0.458367389 0.14462154 0.440275131 0.423522224 0.656053496 0.216290079 LPE(20:1)-H 0.907777034 0.513521277 0.313144516 0.3312663 0.455783292 1.813049371 0.519351504 0.490536269 0.777161474 0.952167028 0.515549795 0.467687155 0.41162547 0.493911425 0.477098174 0.138146809 0.264382172 0.569729049 0.094654919 0.382462314 0.447476264 0.321124403 0.633309426 LPE(20:2)-H 0.798865888 0.862155544 0.409847781 0.453453695 0.73395464 0.788390109 0.834015645 0.655325387 0.922160915 1.357417408 0.415113583 0.621398513 0.560745525 0.702998718 0.805426124 0.221907664 0.685479714 0.775891604 0.121987255 0.452831306 0.495080843 0.864464168 1.285560382 LPE(20:3)-H 14.84587482 21.78988339 5.334360101 11.39379257 15.84463256 6.253171897 13.89305337 12.52344358 18.03019395 23.06220664 6.141904048 13.09188856 9.995083978 21.04096402 11.00461023 5.640438961 10.60772642 10.25057499 4.940928109 7.652521001 7.018262776 8.70110546 6.543345397 LPE(20:4)-H 653.4399886 609.2115324 364.0575121 526.2582289 623.8926826 509.2410722 565.6835399 523.4085691 707.1046541 745.5873895 592.0430042 546.1538023 478.2706225 591.5797132 699.9343275 266.5449872 441.1900038 586.6650886 295.7063692 547.5340606 845.3095102 545.8412066 479.8696873 LPE(20:5)-H 70.99688746 25.81310445 12.54821362 30.84317561 23.02438234 18.62789299 52.11374266 22.84195173 39.54894049 40.2844383 24.90347354 26.87566046 29.85351138 38.62041386 23.8085156 11.05977984 18.21213295 58.57442829 17.17591167 123.0707537 35.32221712 27.59449624 21.09991667 LPE(22:3)-H 0.474826124 0.383605248 0.25246572 0.270520634 0.432972695 0.321850953 0.2570686 0.536073998 0.472701317 0.546555535 0.321852729 0.328730991 0.278901024 0.48949892 0.300276677 0.102640997 0.215944822 0.31416557 0.094999996 0.148368499 0.211783849 0.14833333 0.262678146 LPE(22:4)-H 17.45081521 19.18544672 11.22838649 14.31821969 23.22113927 12.8634013 15.13885971 18.22538456 26.95447938 27.09813039 19.97973755 17.93701308 11.90209589 17.43029017 18.1366658 5.672166048 10.29198088 10.92046098 4.398800505 7.584528865 13.75465692 9.582460958 22.31148688 LPE(22:5)-H 80.50169286 67.16322817 41.16581574 63.94099604 73.75566228 38.80660697 74.83758976 58.86618035 92.70326872 68.47594377 52.09551505 69.07791348 63.76279683 65.93577675 63.98992334 27.78415491 42.62772142 61.36020341 27.4649254 87.40191111 47.16837785 41.35186319 47.67690175 LPE(22:6)-H 186.1349389 88.81349524 40.67032956 70.47993627 67.12854594 87.26210907 91.86794201 83.09266519 78.69837403 200.7607408 99.24310904 59.90562109 84.14394783 68.72022243 122.2355671 40.54820664 71.63207149 163.4237718 46.80080594 189.4222382 145.8940691 118.47212 66.05970951 PE(16:0_16:0)-H 36.23097033 333.8608082 106.3579186 74.06273271 553.3812425 407.3188549 117.7863231 71.22551413 25.93228945 450.9316209 62.73564268 182.3085529 397.2957634 286.1049562 252.3176489 190.969206 205.3954445 43.82619377 1160.88424 192.6533178 40.97267712 152.8472426 12.39813742 PE(16:0_18:1)-H 65.38956635 229.4129719 95.29042408 38.57404447 228.4789955 154.2304814 62.60278447 42.56431045 27.21920118 220.6771076 38.94099069 77.67563715 163.1332419 122.1511129 118.0800456 128.8381707 220.9565699 34.90455283 188.6146071 76.38704592 46.86716892 114.8798248 13.423203 PE(16:0_18:2)-H 43.19594882 582.5787926 106.9337734 55.3671426 470.6206287 150.9849952 149.3304249 49.20880699 67.96914912 483.4012655 86.01583142 183.2627047 193.8913189 128.7205268 270.8407345 194.3254996 700.9797805 51.40877123 268.4884259 132.1862248 66.31914621 231.6443601 37.19161023 PE(16:0_20:4)-H 400.1723729 4613.338827 865.5362109 520.5887498 3852.289303 1677.035332 942.2066618 828.886496 546.473588 3159.663489 979.560495 1945.876726 1596.569804 1414.91032 1670.447832 1329.94264 2684.014283 396.7823694 3013.979667 924.444864 835.8235633 1019.265459 259.0856373 PE(16:0_20:5)-H 18.35218111 180.8078293 23.4111193 21.19721289 120.2981162 48.10357942 63.88018199 12.80820191 15.77764152 129.3230583 16.12294933 58.29349176 90.8602385 75.05592776 49.31595448 32.94413426 106.7112911 24.92323986 147.4466174 146.0133508 12.28549094 41.82662951 3.893307118 PE(16:0_22:6)-H 63.25999492 495.9972393 101.3646284 53.7280319 341.7832695 260.9595376 135.4851591 73.3725825 36.74839501 604.9737957 75.37865708 111.814444 272.8472167 125.2034343 213.0913941 194.3545715 380.8305616 76.76712447 543.3096771 318.6529336 92.03461325 231.8765131 12.57152925 PE(16:0e_20:4)-H 25.06890458 145.7435432 35.02526858 20.27336293 131.7065082 86.73385876 32.00129048 12.45791453 20.51362715 222.212653 32.22721745 66.31766961 35.07098975 121.6574683 84.81638338 69.78047993 129.3239844 10.22477932 133.970189 45.35058864 22.20380481 74.73628705 5.67072579 PE(16:1e_20:4)-H 135.0956443 523.8012322 761.0607763 104.1633984 1003.321025 1207.363953 77.85331699 96.06010785 6.240006818 460.1923096 150.5472838 400.8326984 1498.72566 282.2483874 409.6860652 616.2172939 1879.406233 82.7424245 5462.295075 120.4783016 7.411547695 374.6365964 1.094620461 PE(16:1e_22:6)-H 28.83510908 50.9374767 63.82353351 9.609057085 73.20916884 132.2703278 9.027978109 9.643970948 0.531074852 88.04515654 21.05265349 28.09385157 175.0663663 20.53672684 47.4676358 91.08157232 203.3086905 16.87154744 817.2074302 29.41790053 1.343913714 49.5192789 0.137682199 PE(17:0_18:1)-H 13.21426142 153.3338039 40.18929714 25.03256896 160.4468579 153.7950838 35.63200999 28.98458828 12.40358469 159.4505774 13.41674891 69.61165781 114.6210397 56.19302358 81.59270659 62.63211918 81.46693728 13.6235896 284.983563 65.88995141 14.06814735 37.59724859 3.500700945 PE(17:0_18:2)-H 3.261602284 100.9575114 21.06170646 18.2822163 130.8068358 64.39283044 30.9248177 12.53125555 8.35459663 78.95906778 12.92071913 63.74597081 68.16334957 23.93041798 71.64481051 44.78413438 113.2975434 7.221373351 153.4715148 35.99934094 5.440059402 41.37517785 2.810562146 PE(17:0_20:4)-H 21.99700677 293.2308155 99.06550455 62.92537354 311.5925275 137.6619828 81.08828788 30.57482692 87.25404291 163.0489749 42.65015128 191.5970906 155.6924833 91.07402907 125.9810643 126.7461593 435.1510835 33.86344596 221.3978449 69.95680953 50.65185583 80.6104077 18.02069722 PE(18:0_18:1)-H 69.68764803 112.1805809 70.55959908 42.82078077 93.42095519 194.2365127 50.11653486 25.32661843 45.68534781 119.449524 35.5585938 71.12469329 69.50600829 57.11301975 47.42382158 91.50775814 121.7421555 54.14949951 197.9554935 60.32422395 47.78529602 56.14577173 18.40795151 PE(18:0_20:1)-H 96.22864386 454.0869603 225.2955316 88.81700875 463.2681247 500.3562844 115.7746146 92.95620667 82.06949139 485.9790782 73.09601347 261.9716937 383.5764818 269.8258231 236.2744207 140.5314677 290.1509003 91.45343348 327.4527404 224.1334759 69.89523551 193.9078792 25.50069702 PE(18:0_20:3)-H 107.5611647 1364.910025 297.9758158 162.4811019 1647.62699 882.8901182 432.6024405 228.4115978 102.1690813 1419.849208 145.1146481 668.4720718 936.7518681 628.5443417 873.6923843 801.7073612 1603.566379 102.7012801 1484.784062 452.0130301 129.1715171 555.3928023 48.24367666 PE(18:0_20:4)-H 1717.353154 13228.75166 6093.662298 2958.360205 15630.40168 6505.614265 4365.91059 1769.118921 2938.144354 8363.628049 2704.97143 8353.765182 7749.463272 6607.005329 7118.098005 10096.98112 10908.50994 1763.874018 10964.18187 3631.266228 3058.316426 6085.527101 902.3930474 PE(18:0_20:5)-H 37.79509038 201.9505245 57.47370307 33.76464574 283.4615037 136.5423211 163.3164681 36.64173488 15.76336044 152.698501 30.20986195 119.4222034 197.4176973 181.2055893 104.0003468 91.18027115 144.4276546 48.07142428 749.751442 400.5401086 13.42129877 92.72614269 5.172131513 PE(18:0_22:4)-H 21.76645215 51.77877906 28.81872243 14.68582168 62.55373219 46.02070762 16.77307992 10.14790458 17.06090815 33.232565 11.84306033 24.93329109 38.44535141 26.69361353 31.33786854 38.44081064 49.3225356 14.86566145 35.95272177 10.99140044 16.82351044 25.9430616 8.687950446 PE(18:0_22:5)-H 64.68528699 198.7234913 70.39648233 54.43819012 187.2648812 113.2454904 44.91967928 21.52908755 77.78636827 183.9829638 42.57072541 109.9562845 117.7184377 82.77866586 104.0028075 98.07324487 138.5989331 39.76130602 116.6259828 42.04404968 43.75896831 86.94139594 20.03683846 PE(18:0_22:6)-H 444.8408859 1272.317257 365.3332195 311.4453363 992.902171 1117.125295 391.3919508 142.3837332 256.2794465 1792.344069 295.1708098 625.1158032 927.6690616 412.4122821 844.1280026 1251.063354 1300.777638 309.8751523 1600.693174 1113.758874 329.7103224 996.2573629 76.45749668 PE(18:0e_18:2)-H 4.418620014 96.49092664 11.3739577 9.079680351 94.56801774 38.03728981 28.81134755 7.108311657 7.886813441 70.62506671 14.34566796 48.20893389 31.86211469 38.15285564 41.85441193 23.63254169 92.96220013 4.936904295 34.78885989 21.03186752 4.073835713 43.72756406 3.677499416 PE(18:0e_20:4)-H 34.78339989 90.61035609 23.52548093 23.28191224 71.62714783 67.1950521 23.06753051 7.928078973 31.03215826 83.87961817 28.00426122 46.76745075 34.34284762 82.72662643 52.54540634 44.63482208 46.72552218 23.80118631 50.23565895 30.88905197 25.01284605 52.79200875 9.946144313 PE(18:0e_22:6)-H 135.7838144 437.1613124 163.202016 105.7023335 670.7411274 874.338329 180.8045613 111.9803643 33.1560706 1206.432587 86.72397896 334.8600304 537.5929508 351.0519106 363.6434434 382.6054322 425.7407913 54.14677263 1779.187247 249.0398481 74.50423906 196.1196957 15.20914871 PE(18:1_18:1)-H 177.7354394 778.8849121 443.0432404 170.7491228 873.6012024 438.6045911 312.149184 117.1567755 265.5371128 616.1494145 210.4708717 522.0493921 394.0210617 307.9855462 532.9080343 495.9409929 1220.190058 173.4752601 487.5220044 334.2703095 160.9410952 542.1438072 118.4757633 PE(18:1_18:2)-H 34.38528149 708.8479641 151.8518799 74.2068406 557.1733844 184.8833518 181.1431952 74.2279183 87.55517389 583.167339 55.03745605 216.7672565 352.9340455 228.7073836 370.1943905 278.7005808 840.1859365 73.16502493 283.3829436 157.6754338 76.83533042 319.6387375 49.40432977 PE(18:1_20:4)-H 341.7520279 3433.989716 878.2676131 528.8772946 3016.281474 1256.506315 991.6772722 664.9488171 648.8234013 2528.988275 390.6532619 1629.293563 1670.335395 1665.179005 1641.770175 1462.895141 2006.892109 299.1119968 1801.668892 941.4922894 596.135754 918.9312193 282.4765264 PE(18:1_22:5)-H 24.50597271 95.40921836 35.24062324 9.841541706 114.8334617 27.14876565 34.39144557 31.61589249 15.27330323 57.49388801 13.89822456 36.14206922 75.4694383 34.25040581 41.3672131 34.21967992 116.0895912 19.40349787 49.39670298 39.82316694 22.63565079 38.56645778 6.525192494 PE(18:1_22:6)-H 99.45393846 500.6749537 119.146948 73.53123848 362.2316396 227.9087147 171.1196266 72.22935907 62.50498863 780.9575784 68.0554461 169.4423441 427.2599412 174.9645422 313.6508709 263.5887048 409.7944978 101.6880873 441.2864122 328.3464255 108.6899169 278.8389593 30.76797297 PE(18:1e_18:1)-H 32.30673246 192.7775758 142.1468643 33.02371209 217.6575134 457.2011495 31.6474503 26.39455004 0.89209671 253.6963298 51.25865113 156.5527039 444.2378684 104.9675469 134.2019055 73.71641592 435.3241221 13.14780422 771.8009324 60.26583653 0.632611996 115.623453 0.101663505 PE(18:1e_18:2)-H 33.66002493 733.9687442 281.3439536 89.07643862 959.2162105 761.3696482 164.7876786 62.76990211 2.646334046 617.1748821 127.0264678 533.4971487 809.2688755 284.8903796 573.4672468 253.4093258 1740.814515 37.98501339 1492.630972 166.1931658 0.773651807 470.9649665 0.198406526 PE(18:1e_20:5)-H 96.47558466 722.5983627 208.5680467 157.5895469 1227.892122 598.2235499 278.906283 123.1100606 60.92986822 1325.43567 134.4130744 490.720234 451.7662413 456.7345629 696.8647196 336.1126133 821.6112963 133.9507824 239.2354288 475.5483553 74.94970573 517.3973538 31.17141412 PE(18:1e_22:5)-H 60.1247893 183.7781365 194.3781419 50.38561732 442.0635374 596.0377759 69.00548847 45.65889159 2.435396785 218.34741 122.9503864 248.2251655 550.1821157 155.4345513 281.1424008 128.4039029 441.328509 31.90351454 1364.233827 146.763873 2.485227258 237.7994609 1.211741502 PE(18:2_20:4)-H 14.19880203 154.6563635 46.60077232 27.9653388 153.2013902 212.9251601 51.22904935 19.49748537 22.47018598 130.3559896 15.97919802 79.42127566 81.27904838 74.718247 79.56198005 59.60157052 129.7170845 13.7854111 78.08504563 54.83545836 15.95704303 44.86197079 6.86680033 PE(18:2_21:0)-H 4.590418495 75.43239176 13.36696861 8.042351838 76.83454996 50.81325162 40.40651241 7.335140006 2.737604403 89.3287966 15.39090065 64.37313264 49.05865368 29.07463979 65.22429627 49.17806442 126.7848368 7.645934098 43.40851013 23.56854249 1.762343441 71.11662084 1.265445025 PE(18:2_22:6)-H 12.76292015 59.91450642 21.72938429 9.468266423 57.48131652 341.2048805 21.32403151 11.18907742 8.592456327 98.93039856 9.311719417 29.7331034 47.10205511 24.73364936 51.13951266 28.83151019 87.91536867 13.26358027 49.48623516 53.17013969 9.080962225 40.80665611 5.160231477 PE(18:2_23:1)-H 14.67884326 44.9678385 34.73155899 17.78766884 88.10344083 97.3212892 15.69638344 10.58152726 2.010422372 41.71135316 39.53211623 55.19252607 63.5896414 40.45453766 69.99517094 23.86047048 50.59472647 10.1193689 70.09418938 38.48582762 2.840138037 56.27074585 0.913029712 PE(18:2e_20:4)-H 125.7660723 304.6453159 471.8399933 39.97862076 645.6716183 849.3695028 64.19410305 58.98841748 4.207783482 292.6787358 81.42703269 250.7135576 1081.106229 208.9824539 246.6989989 394.9481871 1292.984862 50.90029637 2939.100655 78.21233902 8.492572412 324.4399282 0.475477654 PE(18:2e_22:6)-H 27.66865978 28.9406613 37.40728142 3.861349279 39.98966809 97.47319268 6.843556312 6.239353816 0.278661361 55.12377842 12.33215791 16.67440349 118.0921761 13.42782894 29.91250612 37.98389469 135.1468162 12.56612257 335.8403783 15.81313061 0.753119642 43.93004798 0.003639965 PE(19:0_18:2)-H 20.97145403 158.1490989 67.25817184 34.53476479 221.0092317 158.0363007 41.24271327 26.09596623 19.60209326 161.858659 33.93308158 102.6356301 110.4093507 59.27163125 107.6361355 80.301308 178.995896 26.01607007 181.549147 65.12596822 11.46673903 68.30893525 6.09912304 PE(19:0_20:4)-H 285.7649382 1326.114711 671.3462607 199.9224768 1544.690763 1113.365519 324.0925177 232.2880472 46.12580047 1220.392559 270.5322344 692.818438 1328.652867 607.9072082 853.2525119 644.5117255 1559.739831 212.6745818 1058.710332 423.3371638 53.88627299 831.806889 21.18220325 PE(19:0_22:5)-H 317.0828704 3340.505653 995.6261567 379.9039056 2950.104334 2540.104237 773.8169445 620.3937532 224.0782322 3252.608244 399.0752097 1465.684479 2094.574836 1578.100216 1702.744924 1578.562138 2519.895705 166.8254377 4518.77565 1488.335838 271.4046304 1361.542882 70.22928455 PE(20:0_20:3)-H 7.624943218 78.93134229 21.18228647 9.413799141 87.44580381 43.92067795 16.21015193 15.25155215 7.275454963 52.11259789 6.595545339 30.33662504 38.95215375 44.00513694 25.93075767 21.62111125 73.00952101 9.741321667 63.86160473 19.53458471 7.756930211 21.26797592 1.999314432 PE(20:0_20:4)-H 26.75007977 248.7780475 164.4421923 46.48246592 506.2868233 251.0798775 85.55164588 57.63773995 34.18568511 174.8875066 58.91235199 156.2055396 198.9838541 184.4819781 184.9272132 126.0379444 224.5418927 34.1790581 442.8062388 97.89346134 44.43328719 108.3848478 9.375956255 PE(20:1_20:4)-H 51.67509327 459.9232073 168.2758993 72.67675814 689.3870172 467.0218147 176.6092502 99.82253318 39.3891147 426.3281581 66.03409545 270.1034381 381.9407768 272.7594292 277.9205718 279.6754018 370.6767299 37.25022368 869.9764813 216.144717 49.1400943 136.62998 11.95972183 PE(20:1e_16:0)-H 12.69337513 58.17777116 20.51803201 8.517421125 81.52425347 54.34321046 14.2018491 12.49165328 6.922962795 69.10935272 17.90759586 29.40417364 39.32898578 43.89447523 30.10886256 14.1973638 42.23664892 9.633670617 34.01936244 18.23159089 7.850005504 20.66765548 3.765993226 PE(20:1e_20:4)-H 16.58424584 25.25016674 65.95952911 12.40609831 86.40480472 147.7279044 6.863048226 6.570519697 0.378742392 21.67318341 33.12942374 47.02685301 122.2937233 34.04098879 53.73639714 17.65763795 78.42944445 6.713156237 288.2017032 17.16494734 0.010727698 48.32533908 0.012249805 PE(20:4_21:0)-H 29.52514396 110.2269407 57.4948241 40.65091136 233.0377815 215.6263741 56.62818953 30.95952058 7.651131453 157.9852485 70.96539456 152.7965078 170.7482513 93.4573353 166.5305873 107.411984 160.779326 24.66761391 279.4807955 136.5429452 8.3258279 121.6609159 2.403015793 PE(20:4_21:1)-H 10.65526699 34.89965703 15.96944267 14.00244263 55.38744568 99.09519801 15.1936309 11.08764486 1.085769439 104.8284361 30.68131806 33.02836262 59.90235757 26.12285698 67.35158957 43.54047483 58.46432458 11.67693744 106.313486 99.44402244 2.219923204 46.8442574 0.550537405 PE(36:0)-H 17.99808729 46.35896567 23.19052983 21.78358504 88.58803756 41.78008336 20.69890514 17.00595803 14.2370171 52.55046577 24.7912183 34.55363773 62.94536371 45.1971135 44.52009236 15.42858219 47.62250233 26.14918875 55.74344267 30.85573782 19.8541959 35.31446153 10.69930802 PG(16:0_14:0)-H 0.239767305 0.850659842 0.172765261 1.121134244 1.031646762 0.726455816 0.910118935 0.467866985 0.409120366 1.216035528 0.508869868 0.740757892 0.411089251 1.03052012 0.627773458 0.373302404 0.23764408 0.456341333 0.123031975 0.730546383 0.340754338 0.433386049 0.276379873 PG(16:0_16:0)-H 0.884301816 3.191763412 0.880465503 4.102479493 4.383136968 2.021413849 2.043122945 2.357147559 2.093798791 3.950356997 2.873887698 2.508514582 1.385413455 2.583640785 2.748608214 0.589501374 1.855687177 1.980739873 0.639734758 2.624586742 1.390240421 1.682466528 1.432569658 PG(16:0_18:1)-H 66.30336126 94.35660828 56.770976 113.4794726 216.9207698 100.5149572 130.5386508 87.20560268 90.08709329 176.6222007 67.49183142 107.8551012 108.8892146 152.6352524 172.9344417 98.48884253 120.1999554 135.408191 23.03167704 167.826893 90.06000879 181.6643218 70.2303785 PG(16:0_18:2)-H 6.014598118 16.47520405 8.891616048 19.8770847 31.6695925 14.64186763 27.22257455 14.24313733 13.45251643 21.7089695 15.49512018 20.78817602 10.71174444 14.85742156 27.41157437 14.61132412 23.41893391 15.78351369 2.877082652 23.87068273 8.845932373 22.86363287 15.87367701 PG(16:0_20:4)-H 2.652673812 4.317614286 1.513652732 5.077622562 7.234369759 6.602072656 6.314388526 2.432949419 3.983366212 6.573834334 2.388558362 5.578535437 3.741378083 6.613735822 6.520713152 3.237772991 4.89173962 3.829643736 0.714836885 4.070274422 2.908329399 4.97254953 2.638259768 PG(16:0_22:6)-H 1.099574348 1.068945673 0.345368332 1.18298072 1.421867459 1.13532819 2.382137452 0.72556807 0.73487069 2.90514442 1.121322642 0.964313306 0.965152403 1.212112057 2.068922855 0.705036904 1.081566755 2.118424969 0.138821532 2.921463932 0.873906379 1.752156105 0.848152465 PG(16:1_18:1)-H 3.985986899 3.47814241 0.941958482 5.229648407 1.243532137 6.497896443 3.39203838 3.309416908 4.479764214 8.920125796 1.866091982 6.078969059 8.99102321 12.17429955 8.804733139 6.267801593 3.767774846 5.165844209 3.239160483 6.951883634 3.22388142 14.09529427 14.00931771 PG(16:1_18:2)-H 1.255568213 1.467712448 0.393485543 1.531952912 1.880186722 3.460370775 1.155338275 1.090140644 1.435956323 4.128131572 0.659732236 1.716296568 3.900519609 4.797085205 5.672795104 4.662768043 2.418460427 2.052663583 1.872225141 2.858659062 1.408959789 7.740518725 8.880683529 PG(17:0_18:1)-H 1.716923774 2.785082024 1.156516356 2.268588401 2.980875631 1.841828616 3.214645842 3.012363021 4.806517221 2.801289707 0.814675389 3.445343149 3.130243579 1.799215382 2.869773383 1.640007629 1.314001597 5.130077053 0.101697961 3.686494668 3.187699116 2.272044541 2.772151672 PG(17:1_18:2)-H 1.653754362 2.171360306 1.625632936 1.958426439 3.731371605 3.799647373 3.177041919 1.920620161 1.431348894 2.230531225 2.072752191 2.418413981 2.392845869 1.854474441 3.007574277 12.27729684 2.968628132 1.2190706 6.397578023 2.502369402 2.970494229 2.23213943 0.677912426 PG(18:0_18:1)-H 11.40093838 8.956505127 5.550303966 9.392789827 15.01075381 10.058758 9.429272162 5.19317148 9.808900446 15.87292991 4.845166485 8.371485692 8.369919863 14.13872598 12.90040157 7.429794774 8.01662425 18.5525985 3.759975337 11.49157585 8.881887826 14.34636121 6.029252561 PG(18:0_20:4)-H 2.90955032 7.251391753 2.809484774 9.551603905 10.14161479 5.928728677 8.924291407 2.399394492 8.970602929 9.901657826 3.696245419 9.448867529 5.095307515 11.3562584 6.94117515 4.425342496 4.837677292 4.019986547 0.770542113 3.664146223 5.607770549 7.24235329 4.135046443 PG(18:0_22:6)-H 1.174965252 1.518840588 0.49280739 1.713524582 1.845731833 1.434343364 2.357395438 0.5380009 1.197816127 3.566417003 0.647133192 1.18474109 1.264970777 1.647877751 1.637353893 0.582280376 0.910572126 1.773363752 0.215927986 1.591693293 1.503543872 1.965836358 0.897475432 PG(18:1_14:0)-H 2.127874449 3.320024808 1.079077401 4.501990932 6.344403421 4.220103741 4.548804024 2.643410161 2.601755677 7.93656922 1.622789662 3.884246721 3.656020553 6.693926692 4.584495073 2.606565712 1.987638655 3.339354906 1.022486987 4.337012262 1.909112182 3.703139824 2.091541028 PG(18:1_18:1)-H 32.94812227 37.16607703 14.92134447 40.38028068 52.48764952 52.4976442 28.77218866 35.10511624 40.73411052 58.63690878 30.33087162 56.94589007 77.08677102 83.22555249 71.27314088 37.49562934 30.09483474 45.30324193 16.10793136 58.49847128 39.372194 63.39024959 40.28893433 PG(18:1_18:2)-H 18.84685319 28.98131901 11.36034643 38.21451581 51.39727229 47.90097808 33.65106859 28.711492 32.38894684 53.41210553 28.0142561 47.96134782 55.29444353 56.88218052 98.58643976 69.53248966 63.25054543 52.33665198 17.24535716 62.17428133 37.2323048 116.6723001 92.29278827 PG(18:1_20:4)-H 7.122906248 4.694447856 5.361721934 8.514958848 12.41338454 11.92106904 8.029074832 12.35472217 10.55098556 11.12533105 9.768057074 11.68794187 12.77777012 26.51641147 20.76693791 17.76112099 7.096996253 12.33473975 7.071418902 20.16323795 14.77159615 17.86001286 29.09233312 PG(18:1_22:6)-H 14.8155131 4.233089797 4.826130694 5.549887873 8.459733833 10.41683465 18.51949552 14.33765001 6.002409688 22.10521239 12.10344109 7.059963203 14.56798956 17.39369887 20.22168631 15.76115912 5.889287346 32.40528882 5.714906078 44.56879987 18.20813004 25.5643811 21.88186751 PG(18:2_18:2)-H 3.363366395 7.097203442 2.758369802 8.932402825 13.7024936 10.80155636 10.4618312 7.115978821 7.536155144 13.46546891 6.797151327 11.15948827 14.18535912 13.33878414 37.40663137 36.19767446 35.83314817 14.85932202 5.916977335 18.76915501 10.04255532 67.1828892 45.00298666 PG(18:2_20:4)-H 4.704490818 3.223529296 3.053151583 5.628536465 8.414194044 17.1100423 8.397621791 7.513734508 6.474622183 8.062308396 6.093562063 7.088250988 7.543938172 14.03452086 20.47991805 20.17788576 9.820071697 10.95402233 5.444948556 22.45666916 8.630886801 23.06036119 32.45561555 PG(18:2_22:6)-H 5.691530436 1.859645333 2.454372814 3.0372566 4.123220701 5.822468959 11.9979416 6.623092966 3.075559032 10.26744104 6.197822612 3.476605242 5.941248701 8.241344521 15.00870191 15.98224267 5.242831709 19.80781393 4.649815483 27.13735834 11.42395569 25.62593261 20.78783396 PG(18:3_22:6)-H 0.368301929 0.085977486 0.146009783 0.143811024 0.177806534 0.261427809 0.736779036 0.319083901 0.177033151 0.618619329 0.321295728 0.202989786 0.441901215 0.562343821 0.678735155 1.140882487 0.290480958 1.185708155 0.502007566 2.636721509 0.574954291 1.489000879 0.592938582 PG(20:0_20:4)-H 13.55207512 7.036268891 4.58300335 12.48697034 15.04848718 12.4366372 26.41784832 8.105595808 6.814375481 8.206163098 6.175740458 9.62424178 11.1844402 13.08140434 9.006701082 8.685577313 7.270862662 19.87584378 24.86463937 38.59336692 7.162752614 7.222935938 2.704459697 PG(20:0_22:6)-H 0.624827438 0.21327673 0.102622608 0.661395579 0.440269294 2.291449785 1.198017117 0.52138196 0.353476807 1.130524368 0.717657842 0.356114355 1.258076434 0.971221841 1.693568712 1.131840845 0.257594524 4.046420358 0.914464142 4.503037532 2.121002455 2.343638373 1.357685837 PG(20:4_22:6)-H 1.937689724 0.310760557 0.70558023 0.689091414 0.845033548 1.050081396 2.417744573 1.998327323 0.7432806 2.132704188 1.819484026 0.902621426 1.224118222 2.371724898 2.745709308 3.252047184 0.623116505 3.606419715 1.447148074 7.070427987 3.172827607 3.293544394 3.60670721 PG(22:5_22:6)-H 1.335263591 0.302836253 0.456048412 0.476773708 0.861604466 1.177636583 1.563799441 1.654841462 0.657424323 2.109617088 1.024509149 0.693095528 0.613380038 1.256128203 1.635827925 0.863980212 0.304105645 3.015454172 0.351733027 1.627314232 1.585564987 1.215905526 1.747338309 PG(22:6_22:6)-H 3.098516989 0.257297676 0.38720134 0.465179916 0.558982678 0.961873775 3.811903378 1.373646716 0.372159912 3.463808119 1.491540343 0.484556478 1.08363178 0.989759502 1.685324962 1.709654312 0.400768145 7.872561381 0.796706779 12.36197234 2.453367202 3.201383061 2.000183311 PI(16:0_16:0)-H 0.498733396 0.274386596 0.221385544 0.463200928 0.276837314 0.256334357 0.36654731 0.20486495 1.073794835 0.539531001 0.629568909 0.271926964 0.28513954 0.420688263 0.402648599 0.099418367 0.172786827 0.564841347 0.255372184 0.253143898 1.248471519 0.326364999 1.053496255 PI(16:0_18:2)-H 5.840477424 5.027176349 2.174260382 2.824958559 2.647134452 2.868884371 4.505283599 1.889386255 3.53128344 8.327180042 2.438608586 2.776795054 3.529029601 5.331288165 4.757446655 1.617587327 2.68583097 4.905771586 0.540674101 3.497778557 3.829366815 4.456847226 8.907153765 PI(16:0_20:4)-H 6.785154717 6.041570399 4.826509359 6.063391638 7.321644732 5.981998475 5.467049428 5.341128229 6.932827317 11.44804458 6.674669696 5.893163933 5.322266629 7.668421623 6.986134955 3.324999567 4.460770461 8.225653484 1.40421459 7.952766437 6.641457927 6.179691354 7.770195784 PI(16:0_22:6)-H 0.479982174 0.20623316 0.232699925 0.223014894 0.164525293 0.25258043 0.531183738 0.312109011 0.229215701 0.739296889 0.626651119 0.170702445 0.156219475 0.236883845 0.298438258 0.087451938 0.184930223 0.788230737 0.017712035 0.728489566 0.411979408 0.331472091 0.580521241 PI(17:0_18:2)-H 0.424206838 0.527234427 0.265063692 0.396527384 0.350177363 0.360026146 0.484515379 0.220429003 0.518106314 0.719154511 0.308589839 0.369775565 0.381347473 0.301220712 0.572698368 0.239906575 0.404179253 0.623261594 0.149995002 0.438188916 0.46412591 0.457097023 0.770844379 PI(17:0_20:4)-H 1.623488489 1.684144246 1.034813612 1.862218058 1.431136889 1.421490453 1.377111203 1.181985579 2.542019156 2.199240364 1.216918188 1.720732548 1.280330415 1.140461351 1.763411968 0.735416482 1.087416604 2.282229578 0.49991376 1.662860904 1.783132034 1.311109044 1.59597952 PI(17:1_18:0)-H 0.508904 0.093451052 0.120848315 0.142380919 0.018659572 0.164742914 0.033475544 0.027866332 0.311922003 0.224135489 0.139975094 0.041962185 0.085200885 0.060448619 0.047494396 0.026728892 0.013644491 0.308266187 0 0.129814769 0.338105857 0.017181665 0.316991162 PI(18:0_14:1)-H 2.484015948 2.593712726 1.248408805 1.559957532 1.311733122 1.761731227 1.52837187 0.736985935 1.784999448 4.927244049 1.192894448 1.351057373 2.517699058 3.187418338 1.853599414 0.63226652 0.498589287 1.593561872 0.437216894 1.541210344 1.866826929 1.353880266 2.897386084 PI(18:0_16:0)-H 2.299353655 0.45317249 0.484519072 1.696642851 0.317333649 0.292455003 1.252291702 0.400375214 3.148488861 0.38636889 2.586373942 0.807366252 0.67002455 0.922949574 0.654191406 0.57100181 0.225389701 1.481627476 0.247134549 0.591496783 5.332992386 0.604232505 4.937635912 PI(18:0_16:1)-H 22.54974655 12.22685986 6.417591526 7.875905905 5.069254334 5.846096842 8.365791217 3.761632142 15.04109268 17.82923234 9.085175583 6.61223313 9.819855287 10.18682225 10.00313932 6.564035018 5.147559628 14.45105608 1.730823927 7.064041283 18.12441117 9.41673518 19.23914252 PI(18:0_18:1)-H 13.97845591 4.393750649 2.014563762 3.856690206 1.543656466 3.212005466 2.911365506 1.308576831 9.772949283 4.725853681 4.257226783 2.914083155 2.776189901 4.154050961 2.742429231 2.275064992 0.781897981 6.410190517 0.639435035 3.704853562 7.502132086 2.624559386 8.092576119 PI(18:0_18:3)-H 0.390466151 0.510162219 0.210168284 0.18653177 0.124097347 0.32361099 0.296801685 0.162696106 0.837893406 0.684243515 0.413787152 0.447601919 0.343684832 0.426412866 0.408289399 0.011700072 0.342544519 0.466926984 0.003507577 0.283807328 0.266213568 0.283762254 24.31088705 PI(18:0_20:2)-H 0.733803561 0.440078989 0.1902445 0.288997315 0.167295778 0.160279043 0.334182289 0.199835012 0.894749002 0.582721295 0.198044386 0.28988561 0.194910939 0.329456425 0.374280258 0.184299523 0.229025962 0.901518062 0.019845031 0.238949895 0.362477965 0.541622708 0.651889278 PI(18:0_20:3)-H 14.2364637 6.378978534 2.785033879 6.296801991 3.151330094 3.076115713 4.283314704 5.942709453 15.13137385 6.351492744 2.729172757 4.611087796 3.254318269 6.901380202 4.59873275 6.234680236 4.054764563 8.330112081 2.696676213 4.058171848 7.504358836 3.810850934 4.962184601 PI(18:0_20:4)-H 288.8921303 207.0107353 142.1629514 217.4131248 158.6661457 142.4764574 207.0514843 154.8255436 299.1367793 252.4367972 224.6909216 209.2543476 141.6841167 193.2790464 269.9724993 153.2943544 169.1291441 273.8693305 71.37011521 225.6931253 311.442772 222.0339333 238.93774 PI(18:0_22:4)-H 1.363867377 0.942974753 0.678212963 0.812798622 0.570133703 0.450188268 0.822600162 0.946466262 2.290532361 1.022865949 0.704102711 0.80663923 0.409934767 0.731895396 0.91202177 0.778133784 0.563558975 1.32359843 0.13439076 0.474849147 1.588037997 0.66914139 1.773682175 PI(18:0_22:5)-H 7.607528618 4.140571591 4.000439662 4.667915437 3.275554355 2.85990341 5.734573401 3.953148952 6.368086678 2.886475529 4.392003875 4.283164395 3.137514034 3.638426028 5.026890833 3.249528345 3.24735175 6.538866896 1.66881285 7.740928451 4.6493396 4.127936733 5.65906088 PI(18:0_22:6)-H 10.50323592 3.459403735 2.533570241 4.317161699 1.81685223 2.747992065 6.08284787 3.631554045 6.101035675 4.980053218 6.653336354 3.182277483 2.406217912 3.314304827 6.133954849 1.748670853 2.832383572 14.60946627 1.038306766 12.56707183 7.725743671 7.098745575 8.90360497 PI(18:1_14:1)-H 0.397033965 0.395328341 0.261255693 0.234665858 0.31795523 0.398833323 0.362177967 0.277846835 0.283278 0.475122333 0.343643075 0.364392272 0.449480116 0.299478403 0.378534295 1.283435595 0.477075831 0.139933621 0.703316195 0.347163736 0.414104862 0.341166927 0.228062588 PI(18:1_18:1)-H 21.85204656 22.47542446 18.35164711 14.12950124 15.28630589 10.54758595 25.07752444 11.23668142 23.97999509 29.86386398 21.39658873 13.78996476 10.50565464 11.82262697 33.02193989 22.15622755 30.03698688 24.17895413 5.435639343 23.76480502 28.49646866 35.26523244 42.00635141 PI(18:1_18:2)-H 5.793125006 12.4338633 2.266582733 4.46078949 5.083759244 4.896155793 9.864413384 3.280785244 7.317455431 13.4758878 4.057759197 5.25899309 5.748809759 6.649206381 11.50374235 3.418579246 8.261495861 9.046722814 0.49315065 6.961049931 6.388135562 11.12696003 25.10512779 PI(18:1_18:3)-H 0.230408051 0.620860908 0.08073038 0.241877177 0.225311704 0.516503665 0.590792096 0.100607973 0.486633001 0.805630823 0.19907147 0.421850409 0.316242849 0.359569173 0.584157034 0.064544804 0.406545495 0.76071275 0.002873941 0.559049978 0.269596822 0.657455823 1.601400931 PI(18:1_20:4)-H 29.41808847 30.21631155 9.595089354 19.67078285 16.57527118 19.98901593 24.2098288 16.19033484 25.19747479 43.68995974 13.9240858 18.71984901 21.56161943 23.21009041 27.03332538 9.834536548 12.94149673 27.36650195 3.331525232 20.97851723 19.76743749 17.00275082 35.73983521 PI(18:1_22:5)-H 1.398339962 0.983087403 0.385962322 0.677351405 0.558715415 0.611019197 1.221548877 0.597849954 0.879483875 1.34563307 0.565492232 0.67730576 0.736131024 0.702145336 0.886028743 0.32571181 0.495767679 1.184177669 0.043007557 1.023761096 0.763763354 0.551113332 1.49754102 PI(18:1_22:6)-H 0.781439258 0.30912871 0.131430571 0.22270857 0.146636143 0.309229853 0.64499379 0.256474371 0.314088305 1.386836863 0.441675725 0.230526646 0.25176305 0.252863034 0.402113423 0.057930626 0.141656535 0.81394729 0 0.72479252 0.453563277 0.289735959 0.882595002 PI(18:1e_20:4)-H 0.172239079 0.064065645 0.078467197 0.125585391 0.117284617 0.065607357 0.130877177 0.117138918 0.201818509 0.218845348 0.290235975 0.108372084 0.056979567 0.141902112 0.100400427 0.059479694 0.083545074 0.194577039 0.136977307 0.141022651 0.24326026 0.08875577 0.338503178 PI(19:0_20:4)-H 1.05886712 0.39187731 0.243006098 0.356135546 0.171991129 0.308086544 0.372178311 0.361526737 1.421096071 0.381285858 0.440594408 0.472339917 0.066509566 0.277627194 0.397428497 0.268794995 0.104435788 1.052432185 0.111450661 0.292339909 1.088641657 0.234668246 0.87185853 PI(20:0_20:4)-H 0.263008832 0.109920446 0.080282397 0.107435417 0.078185137 0.06512319 0.115905152 0.097172255 0.38600203 0.08970492 0.133001221 0.13114826 0.045065577 0.149690124 0.129354585 0.102257036 0.066721334 0.314827654 0.050000538 0.112676425 0.237563878 0.078173963 0.221783412 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CL(10:0_20:3_14:0_14:0)-H CL(18:2_16:1_18:2_18:2)-H CL(18:2_18:1_18:2_18:1)-H CL(18:2_18:1_18:2_18:2)-H CL(18:2_18:2_18:2_18:2)-H CL(18:3_18:2_16:1_22:6)-H CL(20:5_16:1_18:2_18:2)-H CL(20:5_18:2_18:1_18:2)-H CL(20:5_18:2_18:2_18:2)-H LPE(14:0)-H LPE(16:0)-H LPE(16:0e)-H LPE(16:1e)-H LPE(18:0)-H LPE(18:0e)-H LPE(18:1)-H LPE(18:1e)-H LPE(18:2)-H LPE(18:2e)-H LPE(18:3)-H LPE(20:1)-H LPE(20:2)-H LPE(20:3)-H LPE(20:4)-H LPE(20:5)-H LPE(22:3)-H LPE(22:4)-H LPE(22:5)-H LPE(22:6)-H PE(16:0_16:0)-H PE(16:0_18:1)-H PE(16:0_18:2)-H PE(16:0_20:4)-H PE(16:0_20:5)-H PE(16:0_22:6)-H PE(16:0e_20:4)-H PE(16:1e_20:4)-H PE(16:1e_22:6)-H PE(17:0_18:1)-H PE(17:0_18:2)-H PE(17:0_20:4)-H PE(18:0_18:1)-H PE(18:0_20:1)-H PE(18:0_20:3)-H PE(18:0_20:4)-H PE(18:0_20:5)-H PE(18:0_22:4)-H PE(18:0_22:5)-H PE(18:0_22:6)-H PE(18:0e_18:2)-H PE(18:0e_20:4)-H PE(18:0e_22:6)-H PE(18:1_18:1)-H PE(18:1_18:2)-H PE(18:1_20:4)-H PE(18:1_22:5)-H PE(18:1_22:6)-H PE(18:1e_18:1)-H PE(18:1e_18:2)-H PE(18:1e_20:5)-H PE(18:1e_22:5)-H PE(18:2_20:4)-H PE(18:2_21:0)-H PE(18:2_22:6)-H PE(18:2_23:1)-H PE(18:2e_20:4)-H PE(18:2e_22:6)-H PE(19:0_18:2)-H PE(19:0_20:4)-H PE(19:0_22:5)-H PE(20:0_20:3)-H PE(20:0_20:4)-H PE(20:1_20:4)-H PE(20:1e_16:0)-H PE(20:1e_20:4)-H PE(20:4_21:0)-H PE(20:4_21:1)-H PE(36:0)-H PG(16:0_14:0)-H PG(16:0_16:0)-H PG(16:0_18:1)-H PG(16:0_18:2)-H PG(16:0_20:4)-H PG(16:0_22:6)-H PG(16:1_18:1)-H PG(16:1_18:2)-H PG(17:0_18:1)-H PG(17:1_18:2)-H PG(18:0_18:1)-H PG(18:0_20:4)-H PG(18:0_22:6)-H PG(18:1_14:0)-H PG(18:1_18:1)-H PG(18:1_18:2)-H PG(18:1_20:4)-H PG(18:1_22:6)-H PG(18:2_18:2)-H PG(18:2_20:4)-H PG(18:2_22:6)-H PG(18:3_22:6)-H PG(20:0_20:4)-H PG(20:0_22:6)-H PG(20:4_22:6)-H PG(22:5_22:6)-H PG(22:6_22:6)-H PI(16:0_16:0)-H PI(16:0_18:2)-H PI(16:0_20:4)-H PI(16:0_22:6)-H PI(17:0_18:2)-H PI(17:0_20:4)-H PI(17:1_18:0)-H PI(18:0_14:1)-H PI(18:0_16:0)-H PI(18:0_16:1)-H PI(18:0_18:1)-H PI(18:0_18:3)-H PI(18:0_20:2)-H PI(18:0_20:3)-H PI(18:0_20:4)-H PI(18:0_22:4)-H PI(18:0_22:5)-H PI(18:0_22:6)-H PI(18:1_14:1)-H PI(18:1_18:1)-H PI(18:1_18:2)-H PI(18:1_18:3)-H PI(18:1_20:4)-H PI(18:1_22:5)-H PI(18:1_22:6)-H PI(18:1e_20:4)-H PI(19:0_20:4)-H PI(20:0_20:4)-H METABOLITES_END #END