#METABOLOMICS WORKBENCH rkuna_20240805_112025 DATATRACK_ID:5082 STUDY_ID:ST003376 ANALYSIS_ID:AN005528 PROJECT_ID:PR002094 VERSION 1 CREATED_ON August 6, 2024, 9:58 am #PROJECT PR:PROJECT_TITLE Bempedoic acid suppresses diet-induced hepatic steatosis independent of ACLY PR:PROJECT_SUMMARY ATP citrate lyase (ACLY) synthesizes acetyl-CoA for de novo lipogenesis (DNL), PR:PROJECT_SUMMARY which is elevated in metabolic dysfunction-associated steatotic liver disease. PR:PROJECT_SUMMARY Hepatic ACLY is inhibited by the LDL-cholesterol lowering drug bempedoic acid PR:PROJECT_SUMMARY (BPA), which also improves steatosis in mice. Indeed, BPA potently suppresses PR:PROJECT_SUMMARY hepatic DNL and increases fat catabolism. However, it is unclear if ACLY is the PR:PROJECT_SUMMARY relevant molecular target in reducing liver triglyceride, particularly since the PR:PROJECT_SUMMARY acetyl-CoA synthetase ACSS2 can compensate for ACLY deficiency to provision PR:PROJECT_SUMMARY acetyl-CoA for DNL. We show that on a Western diet, loss of hepatic ACLY alone PR:PROJECT_SUMMARY or ACLY and ACSS2 together unexpectedly exacerbates steatosis, linked to reduced PR:PROJECT_SUMMARY hepatic abundance of endogenous PPAR ligands and lower expression of PPAR PR:PROJECT_SUMMARY target genes controlling fatty acid oxidation. Importantly, BPA treatment PR:PROJECT_SUMMARY ameliorates WD-mediated triglyceride accumulation in both WT and liver ACLY PR:PROJECT_SUMMARY knockout mice, indicating that its primary effects on hepatic lipid metabolism PR:PROJECT_SUMMARY are independent of ACLY. Together, these data indicate that hepatic ACLY plays PR:PROJECT_SUMMARY an unexpected role in restraining diet-dependent lipid accumulation, and that PR:PROJECT_SUMMARY BPA improves steatosis independent of ACLY. PR:INSTITUTE Salk Institute for Biological Studies PR:DEPARTMENT Molecular and Cell Biology Laboratory PR:LABORATORY Metallo Lab PR:LAST_NAME Kuna PR:FIRST_NAME Ramya PR:ADDRESS 10010 N Torrey Pines Rd, La Jolla, California, 92037, USA PR:EMAIL rkuna@salk.edu PR:PHONE 8582038321 #STUDY ST:STUDY_TITLE Bempedoic acid improves diet-induced steatosis independent of hepatic ACLY ST:STUDY_SUMMARY To test the effect of BPA on hepatic steatosis, we placed WT and LAKO mice on WD ST:STUDY_SUMMARY for 6 weeks, with 10 mg/kg BPA daily oral gavage over the last 3 weeks, a dose ST:STUDY_SUMMARY previously shown to be effective in reducing steatosis. Quantification of lipids ST:STUDY_SUMMARY by mass spectrometry demonstrated that ACLY deficiency increased abundance of ST:STUDY_SUMMARY TAGs and DAGs, while BPA treatment reduced these lipids in both genotypes. ST:STUDY_SUMMARY Moreover, ACLY deficiency reduced phospholipid (PC and PE) abundance. ST:INSTITUTE Salk Institute for Biological Studies ST:LAST_NAME KUNA ST:FIRST_NAME RAMYA ST:ADDRESS 10010 N Torrey Pines Rd, La Jolla, California, 92037, USA ST:EMAIL rkuna@salk.edu ST:PHONE 8584534100 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #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 - Alb_1974_1_WT Vehicle Genotype:Wild-type | Sample source:Liver | Group:Vehicle RAW_FILE_NAME(Raw file name)=Alb-1974_1.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1978_5_WT Vehicle Genotype:Wild-type | Sample source:Liver | Group:Vehicle RAW_FILE_NAME(Raw file name)=Alb-1978_5.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1983_10_WT Vehicle Genotype:Wild-type | Sample source:Liver | Group:Vehicle RAW_FILE_NAME(Raw file name)=Alb-1983_10.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1996_23_WT Vehicle Genotype:Wild-type | Sample source:Liver | Group:Vehicle RAW_FILE_NAME(Raw file name)=Alb-1996_23.mzXML SUBJECT_SAMPLE_FACTORS - Alb_3703_25_WT Vehicle Genotype:Wild-type | Sample source:Liver | Group:Vehicle RAW_FILE_NAME(Raw file name)=Alb-3703_25.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1976_3_WT BPA Genotype:Wild-type | Sample source:Liver | Group:BPA RAW_FILE_NAME(Raw file name)=Alb-1976_3.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1982_9_WT BPA Genotype:Wild-type | Sample source:Liver | Group:BPA RAW_FILE_NAME(Raw file name)=Alb-1982_9.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1988_15_WT BPA Genotype:Wild-type | Sample source:Liver | Group:BPA RAW_FILE_NAME(Raw file name)=Alb-1988_15.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1991_18_WT BPA Genotype:Wild-type | Sample source:Liver | Group:BPA RAW_FILE_NAME(Raw file name)=Alb-1991_18.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1995_22_WT BPA Genotype:Wild-type | Sample source:Liver | Group:BPA RAW_FILE_NAME(Raw file name)=Alb-1995_22.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1997_24_WT BPA Genotype:Wild-type | Sample source:Liver | Group:BPA RAW_FILE_NAME(Raw file name)=Alb-1997_24.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1975_2_KO Vehicle Genotype:LACLYKO | Sample source:Liver | Group:Vehicle RAW_FILE_NAME(Raw file name)=Alb-1975_2.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1979_6_KO Vehicle Genotype:LACLYKO | Sample source:Liver | Group:Vehicle RAW_FILE_NAME(Raw file name)=Alb-1979_6.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1980_7_KO Vehicle Genotype:LACLYKO | Sample source:Liver | Group:Vehicle RAW_FILE_NAME(Raw file name)=Alb-1980_7.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1985_12_KO Vehicle Genotype:LACLYKO | Sample source:Liver | Group:Vehicle RAW_FILE_NAME(Raw file name)=Alb-1985_12.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1987_14_KO Vehicle Genotype:LACLYKO | Sample source:Liver | Group:Vehicle RAW_FILE_NAME(Raw file name)=Alb-1987_14.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1992_19_KO Vehicle Genotype:LACLYKO | Sample source:Liver | Group:Vehicle RAW_FILE_NAME(Raw file name)=Alb-1992_19.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1993_20_KO Vehicle Genotype:LACLYKO | Sample source:Liver | Group:Vehicle RAW_FILE_NAME(Raw file name)=Alb-1993_20.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1977_4_KO BPA Genotype:LACLYKO | Sample source:Liver | Group:BPA RAW_FILE_NAME(Raw file name)=Alb-1977_4.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1981_8_KO BPA Genotype:LACLYKO | Sample source:Liver | Group:BPA RAW_FILE_NAME(Raw file name)=Alb-1981_8.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1984_11_KO BPA Genotype:LACLYKO | Sample source:Liver | Group:BPA RAW_FILE_NAME(Raw file name)=Alb-1984_11.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1986_13_KO BPA Genotype:LACLYKO | Sample source:Liver | Group:BPA RAW_FILE_NAME(Raw file name)=Alb-1986_13.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1989_16_KO BPA Genotype:LACLYKO | Sample source:Liver | Group:BPA RAW_FILE_NAME(Raw file name)=Alb-1989_16.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1990_17_KO BPA Genotype:LACLYKO | Sample source:Liver | Group:BPA RAW_FILE_NAME(Raw file name)=Alb-1990_17.mzXML SUBJECT_SAMPLE_FACTORS - Alb_1994_21_KO BPA Genotype:LACLYKO | Sample source:Liver | Group:BPA RAW_FILE_NAME(Raw file name)=Alb-1994_21.mzXML #COLLECTION CO:COLLECTION_SUMMARY Liver samples were collected using Wollenberger clamps pre-cooled to the CO:COLLECTION_SUMMARY temperature of liquid nitrogen and stored at -80 C until analysis. CO:SAMPLE_TYPE Liver CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY BPA(Bempedoic acid) was first prepared as a disodium salt aqueous solution by TR:TREATMENT_SUMMARY making a 2:1 molar ratio of NaOH to BPA in water. While stirring, TR:TREATMENT_SUMMARY carboxymethylcellulose (Sigma-Aldrich C5678) was added at a final concentration TR:TREATMENT_SUMMARY of 0.5% w/v. Tween-20 was added at a final concentration of 0.025%. pH was TR:TREATMENT_SUMMARY measured and adjusted with HCl to pH 7. Vehicle solution was prepared with the TR:TREATMENT_SUMMARY same method, excluding BPA. BPA or vehicle was administered to mice daily in the TR:TREATMENT_SUMMARY morning by oral gavage at either 10 or 30 mg/kg body weight or equivalent TR:TREATMENT_SUMMARY vehicle volume for indicated lengths of time. The last dose of BPA was TR:TREATMENT_SUMMARY administered 2-4 hours prior to tissue collection. TR:TREATMENT_COMPOUND BPA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were extracted with 400 ul of methanol (-20 C), 100 ul of water SP:SAMPLEPREP_SUMMARY (ice-cold), 400 saline (ice-cold), and 1000 ul of chloroform (-20 C). SP:PROCESSING_STORAGE_CONDITIONS Room temperature SP:EXTRACT_STORAGE 4℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY 30% to 43% B from 3-8 min, then from 43% to 50% B from 8-9 min, then 50-90% B CH:CHROMATOGRAPHY_SUMMARY from 9-18 min, then 90-99% B from 18-26 min, then held at 99% B from 26-30 min, CH:CHROMATOGRAPHY_SUMMARY before returning to 30% B in 6 min and held for a further 4 min CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Thermo Accucore C30 (150 x 2.1mm,2.6um) CH:SOLVENT_A 40% water/60% acetonitrile; 0.1% formic acid; 10 mM ammonium formate CH:SOLVENT_B 90% isopropanol/10% acetonitrile; 0.1% formic acid; 10 mM ammonium formate CH:FLOW_GRADIENT 0 min, 30% B; 3 min, 30% B; 8 min, 43% B; 9 min, 50% B; 18 min, 90% B; 26 min, CH:FLOW_GRADIENT 99% B; 30 min, 99%B; 36 min, 30% B CH:FLOW_RATE 0.2 ml/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Ion trap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS El-MAVEN #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS relative abundance per mg tissue MS_METABOLITE_DATA_START Samples Alb_1974_1_WT Vehicle Alb_1978_5_WT Vehicle Alb_1983_10_WT Vehicle Alb_1996_23_WT Vehicle Alb_3703_25_WT Vehicle Alb_1976_3_WT BPA Alb_1982_9_WT BPA Alb_1988_15_WT BPA Alb_1991_18_WT BPA Alb_1995_22_WT BPA Alb_1997_24_WT BPA Alb_1975_2_KO Vehicle Alb_1979_6_KO Vehicle Alb_1980_7_KO Vehicle Alb_1985_12_KO Vehicle Alb_1987_14_KO Vehicle Alb_1992_19_KO Vehicle Alb_1993_20_KO Vehicle Alb_1977_4_KO BPA Alb_1981_8_KO BPA Alb_1984_11_KO BPA Alb_1986_13_KO BPA Alb_1989_16_KO BPA Alb_1990_17_KO BPA Alb_1994_21_KO BPA Factors Genotype:Wild-type | Sample source:Liver | Group:Vehicle Genotype:Wild-type | Sample source:Liver | Group:Vehicle Genotype:Wild-type | Sample source:Liver | Group:Vehicle Genotype:Wild-type | Sample source:Liver | Group:Vehicle Genotype:Wild-type | Sample source:Liver | Group:Vehicle Genotype:Wild-type | Sample source:Liver | Group:BPA Genotype:Wild-type | Sample source:Liver | Group:BPA Genotype:Wild-type | Sample source:Liver | Group:BPA Genotype:Wild-type | Sample source:Liver | Group:BPA Genotype:Wild-type | Sample source:Liver | Group:BPA Genotype:Wild-type | Sample source:Liver | Group:BPA Genotype:LACLYKO | Sample source:Liver | Group:Vehicle Genotype:LACLYKO | Sample source:Liver | Group:Vehicle Genotype:LACLYKO | Sample source:Liver | Group:Vehicle Genotype:LACLYKO | Sample source:Liver | Group:Vehicle Genotype:LACLYKO | Sample source:Liver | Group:Vehicle Genotype:LACLYKO | Sample source:Liver | Group:Vehicle Genotype:LACLYKO | Sample source:Liver | Group:Vehicle Genotype:LACLYKO | Sample source:Liver | Group:BPA Genotype:LACLYKO | Sample source:Liver | Group:BPA Genotype:LACLYKO | Sample source:Liver | Group:BPA Genotype:LACLYKO | Sample source:Liver | Group:BPA Genotype:LACLYKO | Sample source:Liver | Group:BPA Genotype:LACLYKO | Sample source:Liver | Group:BPA Genotype:LACLYKO | Sample source:Liver | Group:BPA PC 32:0 0.871324126 1.131247135 0.574811199 0.9164078 1.5689962 0.885264568 0.712973223 1.87065931 0.563571473 0.815471406 0.920021008 0.3205575 0.479615764 0.565362773 0.887218812 0.706514896 0.813457663 0.651407984 1.283069485 1.048214151 0.852969804 1.15990985 0.665009442 0.757742882 0.686920219 PC 32:1 3.547639686 4.702321327 5.187343448 3.396798068 6.980209044 5.240086745 3.149629612 7.484398932 4.889056961 4.411883905 2.715741809 3.047831179 3.358407981 4.274382946 7.402439621 2.785547721 4.27132546 2.521992979 6.45003426 8.854828401 5.39460039 6.878157507 5.916768988 4.696299806 6.220827268 PC 32:2 0.910287144 1.03239976 1.936725143 1.722422965 1.015428274 0.53128978 1.012444607 0.408130921 1.133117684 0.649778288 1.098669096 2.656268823 1.18861108 0.403756908 1.907706298 0.89968407 0.606107785 0.801414139 1.689040579 1.322164236 1.470672269 1.43892164 0.826500524 1.615989407 0.961754698 PC 33:1 1.578760265 1.710065032 2.400836874 1.764982359 1.868087242 2.294911984 1.542446805 1.926352851 2.117499698 1.472776214 1.582983246 1.689095353 1.296275628 2.056701555 2.126931734 1.453234761 2.354566776 1.030629241 2.07488293 2.689834638 2.252873649 2.188194316 2.450748498 2.004697591 2.453777321 PC 34:0 0.605192266 0.625031314 0.588021142 0.564066413 0.291694156 0.876154267 0.579098552 0.453026552 0.501849148 0.539199684 0.650883184 0.604117621 0.403417463 0.557647194 0.61083667 0.433108398 0.747296398 0.283184758 0.807598637 0.640964779 0.550933049 0.674075952 0.763416634 0.76890397 0.822220436 PC 34:1 10.11206829 11.1440893 7.771693419 8.265191654 26.90134811 11.90714765 7.416296922 23.88835367 12.48430917 9.430610862 11.18940268 5.058727327 4.797315006 7.868700583 11.42116962 6.227065139 9.866016179 6.515989544 11.49379446 18.13909589 12.28654011 15.88432235 9.019786244 8.689164269 7.51284169 PC 34:2 12.47664677 14.26279207 5.903104525 5.833045853 22.63581579 15.49503114 9.238583901 23.28974959 8.603829646 17.68675094 6.716169378 4.347488914 7.324190111 9.34043285 13.3122948 5.08569937 6.610544623 2.901680622 16.14884804 4.962241688 16.05380188 20.2033373 8.249673293 8.729550749 8.572724303 PC 35:1 9.066921677 9.726976831 3.234470887 3.279272593 12.06816768 11.13590056 5.084924761 15.05654122 4.04799723 12.08192186 3.344650354 2.341605629 5.5432758 6.238259294 9.071742703 3.364015865 3.962427302 1.232549003 10.75162368 6.161572952 11.24868235 13.27810109 4.332468533 4.186505617 4.34173453 PC 36:1 5.763730647 6.509996324 6.265277193 6.282310567 4.106220735 6.086854776 6.768898944 4.084799951 5.051599794 3.382965294 4.720978791 5.769487907 4.882733778 5.995617618 4.594660001 5.336949588 7.215172479 3.35584587 3.625017917 2.345631868 3.336998793 3.875072871 5.028066333 4.922335092 7.44067594 PC 36:2 15.28141616 16.51450377 8.004827205 13.89089351 15.27696995 14.7034811 9.688590316 13.27520154 12.82093643 12.87985361 10.65705671 7.002435315 7.12066088 7.943533469 13.95004827 7.408161106 9.734004761 8.622152583 11.7251863 10.27196359 10.73697895 15.1987605 7.826194419 6.736953119 13.94478699 PC 36:3 3.422061539 3.542089849 2.080933606 3.35731161 3.725959777 3.534841068 3.752434739 3.556198155 3.421618924 3.37039434 2.784145284 1.75129449 1.670063888 2.020957639 2.724099412 2.291491296 3.031781846 1.328034439 2.431556143 2.609618472 2.862790753 3.519304355 2.600866198 2.356334694 1.625931792 PC 36:4 7.110250627 6.959558774 5.465630726 6.690507527 13.80785789 8.077655298 8.852698279 11.80669432 8.684581488 7.488934893 7.566922345 2.492764398 2.804405471 4.497161182 5.162694283 4.571535124 7.603109124 3.119692977 6.451293307 9.334861 8.679433617 9.717902082 6.853915611 7.033978518 6.126886763 PC 38:1 0.245509932 0.264180806 0.69689273 0.30968424 0.091392913 0.2198573 0.346048034 0.186291753 0.377092954 0.169786093 0.233991064 0.58922416 0.148634671 0.663619372 0.50080201 0.161568224 0.589021299 0.100354579 0.123358642 0.324712477 0.370383801 0.317461399 0.259717975 0.472050612 0.750627712 PC 38:2 0.134477214 0.092280693 0.70286105 0.517593498 0.017408299 0.383537759 0.979761569 0.120390467 0.600142849 0.082066844 0.338798757 0.288573055 0.256887315 0.711097215 0.265743026 0.287702075 0.849874173 0.14071523 0.127740547 0.102343283 0.085898471 0.127263738 0.162698203 0.227690667 0.908532279 PC 38:5 7.349055262 6.587122217 5.597225992 6.689465582 6.765352193 6.815098171 6.20999183 1.130664091 6.448079368 7.28328571 5.658173661 4.43212686 4.636271552 6.049029307 7.228402535 4.609791183 7.303769833 3.974296182 5.779939732 6.442929284 6.559774534 7.709053923 5.791888248 6.558831648 8.222609815 PC 38:6 6.70764498 5.868794269 5.221480217 7.021968361 13.63733259 7.598437011 7.762781376 9.655348144 8.11306684 4.249883665 6.902724153 1.960192498 2.731000386 4.771415855 4.2868753 4.164403103 8.378574131 3.739436249 5.472963186 7.420375727 7.712996931 8.173121955 7.031491132 6.641860118 4.326258973 PC 38:7 11.83771674 10.55098963 9.726954146 11.95600314 4.280153473 14.98507412 17.1403278 11.36248005 13.62361718 12.29176933 11.14661489 4.042494939 5.510002728 8.321767361 7.78707632 7.369834801 12.94766621 5.529913585 12.98740341 13.79072124 13.4837067 15.61251695 12.89302021 15.17535167 10.49562357 PC 40:2 0.015733031 0.009733621 0.056212154 0.02164057 0.005735415 0.032531628 0.035837208 0.003253985 0.038752989 0.015514609 0.014948643 0.007077826 0.015487298 0.030933029 0.037345525 0.016275265 0.037130489 0.00726244 0.011876773 0.012110973 0.023947079 0.011965894 0.014268001 0.040916842 0.028610916 PC 40:6 4.852149624 4.174083203 2.424871032 4.358530633 4.604092901 2.225239977 3.32896413 3.622701078 1.805793848 2.003499168 2.105819252 1.515019732 2.721053492 2.905121281 3.712873364 2.659572992 3.631732573 2.684485069 1.740809069 1.24591373 1.411885052 3.074943186 2.192091086 1.704513799 1.98665166 PC 40:7 3.727774975 3.657379297 2.880364621 3.876838768 2.217803203 3.465227359 3.929574588 1.100347863 2.966403471 1.990977434 2.379817548 2.26379586 2.704904492 2.846171834 3.260887558 2.424456813 3.501620519 1.817002801 1.867537963 0.879096243 1.977534865 3.083680257 3.185015832 2.882301342 2.495447181 PC 40:8 2.502284547 2.545719321 3.073722606 2.991905609 1.367759401 3.3711846 3.797225749 0.317042438 2.541232793 1.854283977 2.039130348 2.083288305 1.657508757 2.146042231 2.468399762 1.791314402 3.055239428 1.0972902 1.51590621 0.2818951 1.722332468 2.403770615 2.575891391 2.729459387 2.469363884 PC 40:9 0.354712403 0.26272642 0.592247217 0.600045267 0.298822445 0.276666994 0.834168232 0.101605945 0.025066407 0.298788469 0.089400863 0.065113894 0.044789075 0.157060849 0.29890004 0.233684318 0.26417326 0.090307262 0.063035046 0.096107135 0.050355133 0.101967397 0.125544847 0.3537667 0.197251002 PC 42:7 0.05823633 0.081480029 0.185895005 0.08131685 0.074071691 0.151265853 0.13071734 0.110727945 0.208349892 0.190656055 0.088107714 0.096807304 0.027693633 0.125804556 0.210117326 0.030385626 0.158498209 0.02538123 0.062185863 0.117048056 0.127550648 0.066763044 0.067010066 0.127882741 0.112887187 PC 42:8 0.029110638 0.033707954 0.04649475 0.030841571 0.01666731 0.068364798 0.044879223 0.009183166 0.049667643 0.022502008 0.024275316 0.025683045 0.021543148 0.028759342 0.036457842 0.01627145 0.053792953 0.00656081 0.01170183 0.030445014 0.030540949 0.028029799 0.029617569 0.045517685 0.02763032 PC 42:9 0.154271747 0.113956901 0.210956632 0.139759024 0.048818475 0.149440077 0.112821958 0.018023946 0.123136874 0.045212392 0.044207675 0.05366694 0.070953542 0.107950514 0.073206512 0.092436696 0.266179434 0.042498464 0.085323464 0.068335264 0.065405528 0.05110278 0.086428209 0.085207868 0.079267124 PC 42:11 0.117411166 0.084968996 0.153982884 0.091633286 0.024457516 0.153076213 0.136638018 0.028217952 0.097619154 0.03274096 0.046365414 0.045949404 0.05278846 0.075883535 0.052340276 0.06251126 0.172156848 0.025648945 0.058750945 0.054325482 0.065571896 0.050994095 0.098872766 0.006966228 0.053403519 PC 44:12 0.050185573 0.037974013 0.077467813 0.033522187 0.012148579 0.063992518 0.043752121 0.01334105 0.047605217 0.00352211 0.006672398 0.010273782 0.013331659 0.022951014 0.011947797 0.015028011 0.082624211 0.005194915 0.018022218 0.016179594 0.023449137 0.005939856 0.042271312 0.063261434 0.014241026 PE 38:7 0.254359315 0.181119527 0.283673643 0.339299333 0.408309833 0.298981224 0.1928171 0.103264081 0.13959888 0.1719817 0.348156504 0.049955388 0.097206116 0.202181694 0.199329346 0.162503127 0.421399014 0.181861114 0.402254365 0.43942285 0.120574804 0.35394872 0.147865687 0.137196252 0.346374885 PE 36:6 0.014476146 0.009860099 0.040413445 0.015923039 0.016322189 0.016983777 0.011352938 0.011487661 0.019670446 0.010669722 0.010716204 0.005741714 0.012564688 0.013786117 0.013404643 0.003549461 0.018980591 0.010104499 0.029927785 0.031861519 0.029080002 0.018610423 0.031606752 0.031100259 0.047903544 PE 32:1 0.091217035 0.094874112 0.148344818 0.069052413 0.278705684 0.111728845 0.047726844 0.117769778 0.098130209 0.085153223 0.082823128 0.083578267 0.093143612 0.092307174 0.162729205 0.060350054 0.073258009 0.076828314 0.180835345 0.220650656 0.145088256 0.10760867 0.104222305 0.068242539 0.21970274 PE 34:4 1.11507925 1.15646194 1.135668503 1.022418271 1.218349466 1.494774241 0.736129625 1.43141675 0.994928792 1.305702573 0.957828359 0.596417343 0.617926476 0.583260211 0.787630762 0.612924296 0.768612458 0.484492981 0.011119183 1.175227591 0.908011535 1.157287331 0.034976695 0.747465139 1.691173191 PE 36:3 1.889693735 2.122927404 1.967038915 1.7401574 2.91518437 1.880721372 1.249125787 2.64992486 1.455127508 2.190070651 1.352990855 1.092138964 1.114531279 1.048960957 1.461412946 1.112514668 1.366150816 0.943184788 2.085717235 2.286043541 1.368305775 2.108967604 1.351176165 0.948003177 2.625349787 PE 36:4 4.142388321 4.033781648 3.552002573 3.379854047 8.626248771 3.979105876 3.141049543 7.856071391 4.851975617 6.03345017 4.268742445 2.136306386 2.900344551 3.029836838 5.434429903 2.511865132 3.437346356 2.9212823 4.587965273 7.00608064 5.31617204 5.922307691 3.363893847 3.728837463 4.842099939 PE 38:3 7.463317066 7.945388243 5.682873115 6.489474759 9.783497801 5.456562682 5.325330739 5.958336503 5.196867793 8.807394828 5.668458554 2.519160761 3.322892265 3.69548151 5.728472371 4.48303321 5.353106149 3.869154996 5.192623985 5.330995828 5.341047654 6.113315073 4.113615282 4.788339588 6.099362332 PE 38:4 5.253434318 5.848234905 4.904642222 4.61763994 13.74564268 3.637661943 3.450169655 6.125587521 4.533885121 6.299768587 4.186850257 2.102868684 2.09157641 3.092771567 5.628133065 3.575057669 5.079300679 3.456288343 4.048242692 5.167309859 5.068517468 4.827911604 3.170178477 3.897220863 4.058277335 PE 38:5 5.69383414 5.327931761 3.496095106 4.147320605 6.29889257 5.312548432 2.964549843 6.225126119 3.935802413 5.882827016 5.249763875 2.394501382 2.981102588 3.130972371 4.461660874 2.70787897 3.941933091 2.912932015 4.440948115 6.153184924 4.554065168 6.809990139 3.395400361 2.739456942 4.272064771 PE 38:6 7.828042573 8.470346724 3.970784388 6.263266408 17.18289047 6.395661473 3.576607058 14.20776347 4.819187862 8.052213949 6.60329662 1.4384053 3.584780088 3.621018727 5.191886846 3.959807248 4.451193889 4.540112303 6.157470522 7.837225617 4.947317652 8.857586 4.420562393 2.865245232 3.710159027 PE 40:6 1.630910281 1.758256469 0.841975703 1.389301491 4.529543017 1.155325895 0.994233764 1.954847043 0.835900405 1.198446003 1.115902418 0.192570793 0.62046595 0.546099634 0.852706439 0.827451297 0.79397733 0.867402 0.869583873 0.756667999 0.549934243 1.104302822 0.89119492 0.493765071 0.900465151 PE 40:7 2.104855516 2.290335126 1.44990806 1.857034315 3.304837012 2.75386716 0.776772525 1.351445063 1.628049839 2.197278219 2.310644358 0.859527914 1.128867995 0.866320373 1.484607669 1.288851121 1.530059465 0.962317101 1.236834922 1.976483401 1.622249133 2.49075124 1.037148052 0.758948296 1.37442403 PE 40:8 0.075437279 0.046463373 0.042766715 0.044323282 0.245695834 0.087333316 0.066235435 0.191058925 0.12532353 0.065293163 0.130757994 0.038559926 0.06614887 0.057064436 0.057696074 0.054604172 0.155436194 0.032396536 0.167473451 0.139568189 0.035921318 0.117657413 0.165315902 0.029134534 0.086781414 DG 42:7 0.088175389 0.040507281 0.14441337 0.122901137 0.230365575 0.097653018 0.079711709 0.073851153 0.223877046 0.023384588 0.164258507 0.035823005 0.047302072 0.176674413 0.053642236 0.248827592 0.285870464 0.430172148 0.030319704 0.072105232 0.380198789 0.041703075 0.149734439 0.075019721 0.036542899 DG 40:8 0.084377466 0.032259438 0.076513312 0.130329388 0.318904631 0.029033544 0.033894188 0.018621145 0.091925913 0.00597664 0.115331457 0.058607597 0.051188736 0.176099217 0.028376284 0.225675506 0.121376711 0.353783569 0.009820826 0.00961496 0.080528168 0.011315516 0.078039097 0.026970876 0.008034992 DG 40:7 0.548395902 0.264035468 0.673369215 0.717393582 1.416949788 0.306303538 0.355752029 0.43941813 0.682716334 0.04364047 0.645935528 0.850688207 0.67377659 1.348775004 0.48076045 2.114215117 1.496323331 2.732807654 0.102206268 0.148726202 0.624508407 0.2601922 1.013774782 0.284033145 0.10006863 DG 40:5 0.172142703 0.098444832 0.458271973 0.327845495 0.196317232 0.189882053 0.253430046 0.133399792 0.389750323 0.029798649 0.268914104 0.443459408 0.270175677 0.817178444 0.212455562 1.046007526 0.775006847 0.919540728 0.037318925 0.084954713 0.381107959 0.100802253 0.408452684 0.163289424 0.079893833 DG 40:4 0.081976542 0.04926604 0.526731753 0.158370782 0.112882315 0.087004508 0.116045115 0.062514266 0.416804432 0.024387328 0.116055401 0.379311226 0.14121213 0.675820758 0.179731369 0.579676698 0.554977608 0.509354085 0.020622025 0.053037835 0.247729609 0.035454346 0.170018736 0.087045796 0.041875147 DG 40:2 0.105826479 0.082767873 0.375059382 0.120932267 0.250568221 0.034304142 0.031634695 0.101755696 0.292327986 0.014076722 0.102510828 0.751995799 0.553814042 1.236027303 0.648057595 0.958155493 0.480789477 2.465888033 0.023029901 0.046409588 0.185683528 0.057263457 0.200968556 0.053005811 0.01472949 DG 38:7 0.101821313 0.092276637 0.126713805 0.116648096 0.374747068 0.020989076 0.01547014 0.134401021 0.081840469 0.007518951 0.101572723 0.641699956 0.646250987 1.160304148 0.71049813 1.127082025 0.334268891 3.337845892 0.019625776 0.026321256 0.106927714 0.06625174 0.199905265 0.029273534 0.00561226 DG 38:6 1.103262055 0.782695737 1.635456763 1.534315198 1.235430914 0.573191807 0.754180467 1.191201673 1.749328821 0.079519794 1.470426464 4.035895974 4.256596227 7.727245986 3.329249508 10.64797102 4.008185082 21.66101521 0.378787238 0.444775814 1.924968368 0.807188881 4.823324994 0.867248947 0.163511121 DG 38:5 0.825136351 0.612144721 2.766537386 1.518447229 0.993170392 0.730745979 1.128520324 0.680046889 1.836906272 0.053366534 1.209936778 4.286210965 2.439408857 5.65664313 2.336488624 6.314532022 3.849583431 8.05488725 0.247480945 0.341400915 1.684814574 0.531459206 2.900703764 0.748116476 0.20260184 DG 38:2 1.520504683 1.321671168 6.740840604 2.772782493 0.952486443 1.82425114 2.100551827 1.019877291 5.017671475 0.105549484 1.502141569 8.488899598 3.149847491 11.74172797 3.253472691 10.03500801 7.806467254 11.54350765 0.243443645 0.5062068 2.51485618 0.369160704 2.690740628 0.898142047 0.280648159 DG 36:5 0.706712053 0.445272313 0.981595751 0.879954172 0.595494882 0.381770499 0.45730568 0.596048677 1.382088752 0.07328782 1.012346719 2.225468972 2.045833697 3.397407365 1.988822733 4.511858799 1.926113123 6.040711239 0.379358698 0.405637819 1.51949254 0.559636103 2.799753673 0.721662971 0.144463436 DG 36:4 5.08024717 3.828956638 9.826508943 7.522947249 5.408305218 3.735987583 3.47685608 4.445118193 7.146642447 0.446545349 5.923581668 13.70467735 10.63295747 21.37665172 9.519412359 28.12892554 14.12913618 51.8540389 1.58495963 1.804287544 7.15559907 3.045380268 13.92591442 2.805556077 0.793248764 DG 36:3 27.21999166 23.22289346 49.86012475 41.55595391 19.30365359 17.80494034 17.50763869 17.8737115 24.76396609 1.364016135 21.35161423 83.01240696 64.11562112 95.17387282 40.34860703 129.8830429 52.56597127 221.2018914 5.57786567 6.020201419 20.79622079 11.73636683 47.26299682 10.10461595 3.836611838 DG 36:2 22.53802382 18.19643556 38.17008068 31.4182349 20.40273997 12.13043894 11.12758078 16.00223808 18.24222 0.712405205 15.81923359 67.07349061 55.98079309 81.63790008 34.82198694 129.6836821 42.31262899 230.1150483 4.007880783 4.305588731 15.14949209 7.917513275 37.76653147 5.827545378 2.24301529 DG 36:1 2.12567977 1.489794562 4.009098041 3.041649224 1.54462434 1.062934373 1.162276955 1.022333565 1.698892326 0.073118263 1.181403286 8.991125528 8.18365559 9.548817457 4.249783096 21.06511898 4.609539614 32.18596502 0.376453005 0.372212314 1.506230801 0.569498364 4.045285822 0.520813157 0.19039744 DG 34:3 2.580375388 1.926710344 11.79040726 3.721124487 3.204030663 2.022341423 1.437083463 2.866067431 3.807257814 0.151442419 2.558148395 49.42387387 34.54993736 52.93383639 17.52116155 26.40059368 8.245336256 113.0706612 1.10534085 1.319453075 4.942096242 1.884869993 8.824970368 1.70014972 0.493847762 DG 34:2 12.37845252 10.60159886 31.97159028 16.77064056 10.21630638 7.581495272 6.883797816 10.17856331 14.08128497 0.670902258 10.39888768 107.7061267 87.16814914 128.4959524 49.82981479 93.81071831 28.7520519 310.6970381 4.10180205 4.844857336 15.5483784 6.730575244 31.06895741 6.078515294 1.814385549 DG 34:1 15.95358932 13.97002972 25.12118294 20.22144155 13.89375828 7.913262277 8.009586801 12.10466383 16.04405594 0.722470218 12.11386191 57.25825287 58.84568191 77.43768547 44.57008355 95.98234354 30.80383721 208.4072469 4.437685145 5.47145483 15.60035973 7.210997659 35.95507606 6.044870038 1.835402695 DG 32:2 0.959134813 0.817259077 3.683330811 1.171782005 1.647282784 0.535869751 0.334952867 1.037700782 1.49469417 0.05874533 0.724081956 12.05354747 7.076895314 14.13672655 6.541112418 8.068026947 3.441484404 27.87492339 0.480909419 0.606487412 2.221708621 0.67693476 3.909456387 0.569170439 0.160238175 DG 32:0 0.726095374 0.64560362 1.055962861 0.863948498 0.709137906 0.33021695 0.27264461 0.511828581 0.598446169 0.032972984 0.499699259 1.930249031 2.401391424 3.496991849 2.446489687 4.691328542 1.496556828 11.13719003 0.245851439 0.257362147 0.755456672 0.283288421 1.665061624 0.220205046 0.080571151 DG 30:2 0.124046484 0.105598155 0.321894537 0.107895624 0.057342005 0.057150396 0.031647388 0.025784331 0.077577485 0.003322576 0.031558621 0.255472695 0.256792386 0.526573751 0.172989377 0.247800333 0.240856236 0.533645378 0.029546976 0.033646066 0.099353096 0.029102364 0.15368776 0.043303377 0.009029449 TAG 42:0 0.110883733 0.076556301 0.230654932 0.32227553 0.052618581 0.099891335 0.069365156 0.06192881 0.207644328 0.003695059 0.179104201 0.237660781 0.395839166 0.553286255 0.111731931 0.514271265 0.19808365 1.242577402 0.06066613 0.166179326 0.573722321 0.07642686 0.582032245 0.061146899 0.021449354 TAG 43:1 0.246344784 0.221893642 0.444216446 0.513389378 0.133036798 0.193664636 0.126394851 0.131982972 0.389543757 0.008286379 0.29172349 0.487465662 0.643267088 1.171813699 0.326368174 0.701079188 0.360958478 1.458492221 0.12246434 0.266580518 0.689082649 0.135687741 1.109646015 0.098155629 0.032692646 TAG 44:0 0.264122813 0.243764755 0.387525859 0.454730142 0.204474514 0.184790349 0.109801315 0.107461435 0.290403999 0.010015813 0.265848352 0.293660571 0.424036185 0.677073277 0.355705115 0.588298945 0.300989677 1.421134677 0.123511558 0.32731499 0.733404578 0.131262282 0.625928562 0.070562467 0.041195153 TAG 44:1 2.392032211 1.715322492 5.215625719 6.166491006 1.272125674 1.527555646 1.368644365 1.456963105 4.039786844 0.048598777 2.92451598 7.878032887 9.400525296 16.53585578 3.952945331 8.399084877 4.420269007 18.38774731 0.966755139 1.991906688 5.587860101 1.115186298 8.2181 1.366475765 0.240734295 TAG 44:2 0.891267187 0.62526078 2.224474905 2.437851946 0.669066549 0.6122157 0.28283252 0.611211718 1.725606517 0.018041883 1.31550649 4.334929365 4.645125379 10.76633931 1.928994332 3.924192303 2.147719189 9.302891524 0.483091362 0.87625151 1.718571883 0.529736234 5.34213154 0.531929515 0.086840762 TAG 45:1 0.44111797 0.272229296 1.109092258 1.213302428 0.250320678 0.241624083 0.214514834 0.211946002 0.798206616 0.008385678 0.475684529 1.736667858 2.194439601 4.797815671 0.822231975 2.009328906 1.059348879 3.489243496 0.138943585 0.300980521 1.234482091 0.206240576 1.348605901 0.303331906 0.055385794 TAG 45:2 0.2241315 0.116479759 0.615180607 0.642051911 0.136527966 0.086475698 0.076486547 0.099533797 0.354167784 0.003724678 0.203442521 1.096972593 1.196584344 3.088007659 0.447530858 1.206787031 0.593932872 2.158169522 0.051990797 0.126434667 0.6620423 0.08610827 0.478711833 0.134120267 0.020064672 TAG 45:3 0.066269134 0.074723403 0.087365669 0.092394211 0.017505792 0.007721767 0.009845421 0.059125947 0.076051969 0.002619518 0.051271609 0.198199836 0.179273734 0.617446712 0.136063083 0.2059324 0.109501997 0.385663267 0.020806083 0.063853662 0.164216081 0.018759877 0.241869247 0.022861062 0.00639153 TAG 46:0 2.249182301 2.013226627 2.989549583 3.328343473 1.384971333 1.503490602 1.010847527 1.682714486 2.236939677 0.114064029 1.92476604 3.309984515 4.316008413 6.696464091 3.793913121 4.534090615 2.545123975 9.137548669 1.071618109 1.600825966 3.076423385 1.2704143 4.220110667 0.890325228 0.290200788 TAG 46:1 8.414011003 5.984040051 15.97643095 17.43680288 5.752236156 5.178002167 4.068825764 5.493981248 10.82964223 0.245890787 9.884209696 23.08105586 27.75123145 50.44426881 16.54569825 26.52466087 13.69068807 58.00750352 3.753828001 5.199558441 14.52607309 4.839778998 25.76775565 4.110498217 0.807714332 TAG 46:2 3.828287056 2.379971709 8.100620181 9.005012016 3.120436135 2.016479242 1.572442366 2.603674593 5.239634573 0.071079142 4.576999747 13.31580243 14.96986677 31.63209093 8.02125523 16.11217726 7.439135424 37.36892522 1.347668726 2.230607742 7.764531543 1.846763028 14.72163932 1.690933849 0.308857372 TAG 47:1 2.035696628 1.455919049 3.770999109 3.92626309 1.345809544 0.950069147 0.7573907 1.107638755 2.194858587 0.043815837 1.602382461 5.852426605 6.387364252 13.1886737 4.322395413 7.036954296 3.797272866 16.68705492 0.655533828 1.020653045 3.222573073 0.881703323 5.320506901 0.86807329 0.163102465 TAG 47:2 1.129928792 0.718950282 3.163702307 3.034641225 0.782543984 0.447017356 0.331442971 0.395240759 1.525434111 0.012620927 0.828715019 5.857571186 6.039912404 14.56537408 3.061754693 5.842494124 2.787946149 12.46956591 0.295323268 0.398221007 2.052187905 0.368162173 3.558992785 0.546791492 0.057485362 TAG 47:3 1.583670782 1.087623508 2.181814096 2.061618589 1.012975507 0.829520057 0.271925799 0.625025187 1.663343719 0.057936435 0.678371076 3.369211502 3.587600105 7.465649764 2.500187633 6.152065624 2.737211155 7.40849581 0.428534554 0.823374082 1.960276754 0.338184771 3.760696935 0.450532981 0.252769922 TAG 48:0 7.747648702 7.227649543 9.099096192 9.406736713 7.143315892 3.79826058 2.169249955 7.268108539 6.661809475 0.4101086 4.686076763 11.47008088 12.81448852 23.25303587 15.90678357 21.01021132 9.707451405 36.55099953 2.544724365 4.475489907 8.670922635 3.637208983 12.25167832 2.248822841 0.921356342 TAG 48:1 16.9349472 15.0437436 25.14167838 25.60924728 13.14016276 8.704756892 6.937576362 13.96449782 15.52532981 0.73942059 13.35448721 33.20914453 39.2356081 61.40929648 39.39455036 44.73564539 22.27604208 96.72585075 6.079978449 8.489104618 18.53455866 10.0771855 29.578437 7.315178693 1.440769517 TAG 48:2 29.06618525 21.74132004 48.62924107 49.28609743 26.91906619 12.73584012 9.383327461 19.42349769 26.64323028 0.673040487 25.24178538 66.47424892 75.56815925 135.7679278 72.05717637 101.3668418 47.03424526 238.8099403 7.646948603 12.41841779 32.94425888 14.51691554 58.04050299 9.495555012 1.89457702 TAG 48:3 4.996450591 2.858895052 26.6935193 27.77347042 8.644236108 3.96014312 4.526074267 7.031053405 4.987498035 0.19265578 12.32730055 60.30566555 57.91828588 114.327048 34.19498254 58.29685928 27.03853158 140.5103354 0.855989015 1.372243343 5.239615053 5.539253552 36.70780617 5.443666523 0.794841412 TAG 49:1 6.341671101 4.431465996 9.119575788 10.13528632 4.028948631 3.326118915 2.757321528 4.031562078 6.653949261 0.203880938 5.632363132 14.93231179 16.32733784 28.88381065 10.72216278 24.38577075 12.74505183 45.04366523 1.959928468 2.769802563 8.576062467 3.025130423 14.37684345 2.806040798 0.527833574 TAG 49:2 9.216585514 6.903639956 17.43807112 15.79286011 6.328618883 4.460363781 3.947967563 5.462022999 8.371989343 0.26231699 7.03272108 31.92627589 35.33493274 65.91132316 24.74127803 39.52812572 19.39626554 87.10105128 2.384645077 3.058173533 9.903966544 4.460129366 19.24023466 3.908154122 0.674312519 TAG 49:3 1.816789374 1.225074047 4.000976094 4.243073178 1.226923675 1.231198657 0.922867077 0.517789969 1.994176655 0.056461531 2.266867039 15.33106879 13.39628705 27.65008405 7.057248177 14.5904939 4.067616918 27.75874572 0.29074364 0.550699288 2.269948439 0.53635108 7.452202543 0.758948669 0.295860938 TAG 50:0 23.77527364 21.46001607 27.0479532 28.20681437 17.92690188 11.74522599 8.113314869 25.14227546 20.74649693 1.767188947 18.27904507 42.21107038 41.47330103 68.37571887 45.44893838 72.17275781 34.94814316 126.5829222 7.415052596 12.16110986 26.08225156 14.65107983 34.75683411 9.210174455 2.401150635 TAG 50:1 13.52573635 11.06926527 14.31494222 15.04349464 21.22748775 5.215975245 3.424181928 18.53902925 10.78862892 0.633011363 11.45816295 24.06149763 24.20185476 42.26873254 31.66448783 52.96602449 21.24723304 109.975021 4.137941362 6.726969162 15.67623699 6.425292098 26.03532677 3.109216264 1.274556371 TAG 50:2 90.05508126 84.30979827 113.4521878 114.3127863 83.16578976 36.86757752 28.63372834 97.36270713 57.5005947 4.912784996 59.49203557 153.1552231 161.9176579 277.3264635 213.0581967 255.6080917 118.2643969 474.930939 23.14058022 26.14919626 50.8884844 50.84077549 104.1109844 22.59346031 4.367908408 TAG 50:3 22.4958038 18.41417798 29.55272542 48.81979188 24.14525221 5.321500874 7.056561235 6.792084344 10.22556484 0.903401329 16.06990161 108.7385139 110.0057786 198.5889441 111.9095708 137.0259271 35.85759651 198.8196103 6.332432819 8.91679866 27.25252806 6.308367463 19.79388523 3.958141422 1.946256748 TAG 50:4 3.494890366 2.045350954 11.43771844 12.68679633 2.134191583 0.611089164 0.455646387 0.343615257 1.388291463 0.073873322 1.55752827 28.82626091 28.46765932 55.25172693 11.5318799 35.5963977 14.60595302 83.02712616 0.333517509 0.46493871 1.864601783 0.356323602 2.715999233 0.438243881 0.206880823 TAG 50:5 4.084999881 2.42690457 6.380374012 7.727654046 1.680120611 1.981609745 1.732800616 1.604167302 3.55830931 0.09491292 3.38589662 12.20323158 11.20255787 17.26775181 4.839176597 17.08103744 7.561025096 21.20960795 0.882346881 1.022905915 3.607211341 1.254658348 6.319194582 1.323518468 0.257760429 TAG 51:1 16.70865987 11.61997362 22.77199584 27.01874886 8.339154151 7.007450803 6.164715692 8.36249633 12.78754716 0.42959612 12.16145151 38.79387126 42.56141201 61.56159767 21.96175268 57.91479627 26.19619844 93.04623905 3.22423848 4.18398158 12.92388533 5.964184544 24.41324643 5.146781652 0.933973193 TAG 51:2 17.57791633 13.9147487 23.87161976 26.57584415 11.43015909 7.021573947 6.365948551 9.952591032 12.0769855 0.549879805 12.69287245 40.28911844 48.87497256 70.0094557 27.91935101 57.74944657 25.58495244 120.0907042 3.681489815 4.5150118 13.46271557 7.303788985 25.27868586 6.116974826 0.993709905 TAG 51:3 14.35077656 7.76987677 18.63100401 24.8768738 6.723803074 6.557045875 6.324342109 4.611792875 11.14631852 0.313702275 12.56450198 44.13153916 33.13280323 42.37270225 15.73176611 51.74742364 22.31088225 59.90641244 2.555862103 2.688525284 10.44814404 4.260359887 18.62607731 4.090691117 0.94020973 TAG 52:1 68.10530362 59.52804225 74.43251011 84.12933165 61.64853013 27.07571046 5.686747465 60.65030417 42.54878862 3.656095604 52.27403006 98.17522261 109.4573069 150.7407255 98.85866148 187.8978928 78.36194976 266.1114071 14.15778798 20.64206423 46.74139239 30.85328615 73.4711658 16.07789967 4.893848461 TAG 52:2 58.94816779 50.31325028 100.1454227 73.25052774 97.4698502 22.50387294 15.75538781 69.61647437 35.53245175 2.435832174 48.40410051 149.3415616 110.6047795 175.100938 115.2273751 247.8677179 116.985881 368.1404806 13.38686627 17.37204223 39.84243414 23.62275618 71.80783018 10.19505212 3.670698642 TAG 52:4 3.556728837 2.215944747 29.98198144 13.24335513 7.277276077 2.532049121 1.963870991 4.593911221 4.385836833 0.138633366 6.909169666 53.65219715 22.24399235 44.50741648 14.29971437 81.33810536 39.42929818 55.81525177 0.909878197 1.026195566 1.917905666 1.263143846 10.97471081 0.935250461 0.283862067 TAG 52:5 1.29207247 1.26308528 3.931513994 5.698506006 1.563074958 0.744424731 1.322437363 0.626253689 1.919498364 0.050693094 4.105413162 13.32205639 9.730193979 18.71714786 4.595801224 11.64260184 4.401817043 23.54417708 0.217674322 0.234151145 1.733753752 0.452982134 3.514491779 0.430197214 0.273868008 TAG 53:2 16.51556547 8.001367413 25.3507773 30.74099807 6.403482267 8.625023104 7.937344559 6.544719692 14.18880983 0.374663351 16.00426814 23.00361556 32.46791487 42.43511298 10.80727819 54.36219158 26.29374085 63.27048909 2.807052429 3.095443334 11.31676583 4.351892297 19.70192304 5.139010723 0.858675419 TAG 53:3 11.87500518 12.19662428 15.9323735 20.31129636 7.493546092 4.663992397 3.04661305 4.339153961 6.522005463 0.298798031 6.468037631 43.65231194 28.63707225 43.07259452 22.45075194 42.93063832 17.87323419 104.197931 1.450623644 2.277554359 6.456210886 2.366998011 14.11342146 1.990757489 0.477654107 TAG 54:1 30.51156172 20.31593565 48.54470457 51.40112688 11.35382706 16.41085183 14.32321402 13.0636975 32.01794105 1.405841946 26.18080398 45.50808117 45.5607073 62.91342107 20.94777323 86.96554067 48.08038344 44.03985019 4.952694944 7.313485225 23.8569655 7.878804515 25.42885365 10.27477054 1.08209974 TAG 54:2 24.64260542 20.5674529 32.09328495 36.11983272 29.37312879 10.31847535 6.794197764 13.65703375 18.9284278 1.074821753 17.1487986 45.57883006 41.64689579 59.18705328 29.61301328 92.67980966 35.77406174 88.85451759 4.052835746 5.085912081 15.89734367 5.770406052 24.64332643 4.506441558 1.166777761 TAG 54:4 7.039070593 8.560179059 7.459260779 11.33769839 22.64272275 2.597738494 1.192030719 5.566605581 2.10133552 0.361939419 3.226333284 17.97858425 14.32907417 19.21604416 14.39879259 28.46351345 8.169174085 56.87899048 1.002858218 1.335864365 2.376637524 1.88912193 6.361433867 0.926633714 0.203032116 TAG 54:7 5.124333409 0.966475035 5.02846752 7.912215963 7.167307124 1.394729181 1.62324835 0.696538272 4.372673866 0.115631078 6.93896429 2.353673026 2.17412981 4.335467633 1.624805214 8.945726537 9.839843595 9.366282606 0.500657697 0.71534712 4.011442936 1.20163894 2.564842027 1.461859259 0.390544214 TAG 54:8 1.510143453 0.590333054 2.271749642 3.061956585 1.359951659 0.641049275 0.56069502 0.25994945 1.188102364 0.014879962 1.327999883 1.931257674 1.364943991 3.503186805 0.955245306 2.639433594 3.413791298 2.803212014 0.107918804 0.141366992 0.947994315 0.336475471 1.010543594 0.491577005 0.104479503 TAG 55:3 3.216938402 4.23956875 10.9127191 8.614278346 2.889385335 2.829117826 1.730142283 2.534401875 4.211512072 0.104439985 4.278834715 8.568014881 6.497789957 14.93998239 4.458736671 13.66030492 11.30250249 15.91891658 0.691713963 0.76639408 1.970506363 1.057766655 3.907052754 1.209376177 0.211546086 TAG 55:4 1.120370555 1.229328747 3.019460019 3.142841093 1.131512126 1.074933695 0.662807497 0.78584015 1.258458218 0.044721622 1.605133644 3.904059186 2.407550631 5.373009661 1.905663152 6.097355545 3.486577899 7.331098214 0.158574294 0.276271109 1.084128811 0.409177183 1.939592044 0.238350922 0.047244214 TAG 55:7 0.34679656 0.095609624 1.192206946 0.549993476 0.657011923 0.310326508 0.278982562 0.036722328 0.80556343 0.067993429 0.609866628 0.44515885 0.069891476 0.585030253 0.136002444 0.361620158 1.213057497 0.307367152 0.048435492 0.151809306 0.463847664 0.042927253 0.151760017 0.289334862 0.077736654 TAG 56:2 3.550836068 2.472000832 14.87577567 8.517806282 3.011552918 4.38343236 3.365838478 1.508459026 8.182572122 0.526392018 7.26713592 7.187126056 2.910654237 10.03614131 4.097009669 6.552588869 14.21421023 4.545371452 0.835691311 1.812105855 5.202689002 0.897035451 2.969474393 2.874866098 0.623312056 TAG 56:3 10.02989345 7.785680282 17.87943854 15.5453512 7.857097982 6.115236785 4.072895092 7.558590119 11.16669667 0.469673893 12.85157275 18.33920797 11.67434323 27.09920751 11.59349198 28.95108885 22.042285 27.92630769 1.610571152 2.503773185 9.231889578 2.612916068 8.312819202 2.97203679 0.719034039 TAG 56:5 3.344765534 2.297901782 3.255516026 4.290474735 3.062865214 1.508545308 1.382618778 2.577285395 1.804769647 0.072605336 4.322207788 4.413676242 3.75685997 6.00062126 5.000599777 9.62024549 6.175680694 11.80608568 0.505926682 0.845152848 3.065069109 1.286103855 2.55529052 1.115613651 0.28711395 TAG 56:6 8.070710667 3.070017427 8.334837546 11.2376523 9.423363978 2.896146861 3.279344657 2.046677122 5.855040395 0.16569394 9.544453059 7.729203285 6.823336602 12.5662369 7.372047071 20.03984245 15.2919611 23.87762768 1.007934378 1.464888056 5.672042241 3.017595233 5.806307588 2.526369665 0.622438464 TAG 56:7 11.42468193 3.254795724 5.799809907 11.93585797 18.25839413 3.026178051 3.715933787 3.107221271 6.967089795 0.294970288 11.67714975 1.333409915 2.47038788 5.039256897 3.510872754 10.31933261 11.70737048 16.09670835 0.667283686 1.126287598 5.326083558 3.388127074 2.868599745 1.978549016 0.687363699 TAG 56:8 1.509817087 0.309115931 1.668787817 3.03117825 3.22612471 0.44950322 0.580650059 0.196893042 1.334968905 0.025346182 2.515986309 1.161382518 0.861804383 2.272366834 0.535610854 2.434629078 3.768370583 3.374374737 0.102640403 0.150111457 0.880554339 0.365224723 0.746878334 0.370028527 0.11064084 TAG 56:9 0.287346344 0.047089639 0.414156672 0.49535223 0.547051775 0.056500462 0.056997207 0.044912832 0.205126024 0.002054068 0.291327424 0.183742042 0.136869741 0.629208274 0.151362938 0.630915217 0.98781874 0.600536579 0.014063544 0.02633374 0.175465827 0.047821266 0.098839284 0.067675697 0.012714467 TAG 57:8 0.169906504 0.005221556 0.109222939 0.209453251 0.233417223 0.036264575 0.030588855 0.004259518 0.084179003 0.001895194 0.083255924 0.039487617 0.069234319 0.099715229 0.060521463 0.075485693 0.357493642 0.215514417 0.005896952 0.008499079 0.043138256 0.044754971 0.072935277 0.023967991 0.008102363 TAG 58:2 0.234677014 0.123368143 2.845550119 0.666572246 0.45245706 0.662380597 0.364159283 0.116027682 3.845567751 0.127778032 1.041455747 0.901689913 0.111538944 1.089948833 0.41429835 0.31400677 2.466831928 0.353534927 0.081833253 0.334830943 1.357965328 0.069616736 0.217750885 0.517109543 0.106312797 TAG 58:3 0.18786165 0.097531366 2.391842721 0.485935977 0.503843463 0.504481634 0.270778429 0.109978883 3.455029351 0.087851936 0.827449322 0.759361808 0.09990738 0.947715458 0.346987013 0.279621477 2.013402517 0.313019122 0.066216623 0.262319805 1.075761796 0.05884358 0.202350182 0.414919428 0.073750383 TAG 60:3 0.010882268 0.003685249 0.233650452 0.034687688 0.019595714 0.046547695 0.028398915 0.003508107 0.49279552 0.006308958 0.081960838 0.03268042 0.003792288 0.04767234 0.009000898 0.024575067 0.177383331 0.048628879 0.006874147 0.024729957 0.101856479 0.006833903 0.01366602 0.036477293 0.012209375 TAG 60:5 0.020485998 0.003529328 0.020424212 0.010252771 0.025473056 0.031646211 0.011884144 0.001336024 0.103816127 0.004877573 0.059237432 0.004256601 0.002301983 0.041037663 0.017412992 0.020867703 0.19571273 0.007327039 0.002403448 0.016872125 0.059736039 0.007114093 0.00539299 0.008851193 0.003817206 TAG 60:11 0.246218673 0.149075418 0.219327176 0.486455846 0.271820091 0.119482258 0.125634648 0.080309968 0.180730274 0.011332887 0.351354046 0.095160409 0.194638058 0.298742551 0.103172548 0.651325383 0.409038325 0.662110817 0.028148057 0.042196703 0.12753311 0.076125088 0.311795158 0.092529319 0.030570152 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z PC 32:0 734.5704 PC 32:1 732.5546 PC 32:2 730.5356 PC 33:1 746.5685 PC 34:0 762.6011 PC 34:1 760.586 PC 34:2 758.5704 PC 35:1 774.5999 PC 36:1 788.6172 PC 36:2 786.6018 PC 36:3 784.5859 PC 36:4 782.5701 PC 38:1 816.6466 PC 38:2 814.6334 PC 38:5 808.5853 PC 38:6 806.5699 PC 38:7 804.5544 PC 40:2 842.6628 PC 40:6 834.6016 PC 40:7 832.5853 PC 40:8 830.5697 PC 40:9 828.551 PC 42:7 860.6141 PC 42:8 858.5988 PC 42:9 856.5818 PC 42:11 852.5507 PC 44:12 878.5662 PE 38:7 762.5035 PE 36:6 736.4883 PE 32:1 690.5051 PE 34:4 712.4888 PE 36:3 742.5372 PE 36:4 740.5217 PE 38:3 770.5684 PE 38:4 768.5527 PE 38:5 766.5356 PE 38:6 764.5203 PE 40:6 792.5513 PE 40:7 790.5353 PE 40:8 788.5194 DG 32:0 586.5396 DG 30:2 554.4759 DG 32:2 582.5079 DG 34:1 612.5556 DG 34:2 610.5397 DG 34:3 608.5237 DG 36:1 640.5866 DG 36:2 638.571 DG 36:3 636.5549 DG 36:4 634.5392 DG 36:5 632.5234 DG 38:2 666.602 DG 38:5 660.5549 DG 38:6 658.5391 DG 38:7 656.5235 DG 40:2 694.6329 DG 40:4 690.6019 DG 40:5 688.586 DG 40:7 684.5546 DG 40:8 682.5388 DG 42:7 712.5858 TAG 42:0 740.6741 TAG 43:1 752.6748 TAG 44:0 768.706 TAG 44:1 766.6899 TAG 44:2 764.675 TAG 45:1 780.7057 TAG 45:2 778.6906 TAG 45:3 776.6752 TAG 46:0 796.7373 TAG 46:1 794.7214 TAG 46:2 792.7059 TAG 47:1 808.7371 TAG 47:2 806.7217 TAG 47:3 804.7061 TAG 48:0 824.7692 TAG 48:1 822.7531 TAG 48:2 820.7373 TAG 48:3 818.7214 TAG 49:1 836.7688 TAG 49:2 834.7532 TAG 49:3 832.7371 TAG 50:0 852.7999 TAG 50:1 850.785 TAG 50:2 848.7692 TAG 50:3 846.7527 TAG 50:4 844.7368 TAG 50:5 842.721 TAG 51:1 864.8006 TAG 51:2 862.785 TAG 51:3 860.7684 TAG 52:1 878.8158 TAG 52:2 876.8007 TAG 52:4 872.7678 TAG 52:5 870.7521 TAG 53:2 890.816 TAG 53:3 888.7991 TAG 54:1 906.8475 TAG 54:2 904.8318 TAG 54:4 900.7986 TAG 54:7 894.7523 TAG 54:8 892.7369 TAG 55:3 916.8303 TAG 55:4 914.8143 TAG 55:7 908.7665 TAG 56:2 932.8626 TAG 56:3 930.8467 TAG 56:5 926.8143 TAG 56:6 924.7987 TAG 56:7 922.7836 TAG 56:8 920.7675 TAG 56:9 918.7529 TAG 57:8 934.7823 TAG 58:2 960.8936 TAG 58:3 958.8781 TAG 60:3 986.9095 TAG 60:5 982.8778 TAG 60:11 970.7827 METABOLITES_END #END