#METABOLOMICS WORKBENCH ahmohamed_20200302_175121 DATATRACK_ID:1932 STUDY_ID:ST001323 ANALYSIS_ID:AN002200 PROJECT_ID:PR000900 VERSION 1 CREATED_ON March 5, 2020, 9:58 pm #PROJECT PR:PROJECT_TITLE Effect of high-fat diet on serum lipidome in mice PR:PROJECT_SUMMARY We analyzed mouse serum samples from a mouse dietary intervention experiment. PR:PROJECT_SUMMARY Briefly, C57BL/6 mice (n=44) were divided into 4 groups (n=11 per group) and fed PR:PROJECT_SUMMARY High-fat diet (HFD), 1% deoxycholic acid (DCA) in drinking water, both, or left PR:PROJECT_SUMMARY as control for 9 months. For quality control, 12 TQC samples and 2 blanks were PR:PROJECT_SUMMARY also included in the analysis (total 58 samples and 6 groups). The two PR:PROJECT_SUMMARY treatments were selected to demonstrate the ability of lipidomics to detect PR:PROJECT_SUMMARY gross changes induced by HFD in the serum lipidome, as well as specific/minor PR:PROJECT_SUMMARY changes induced by the secondary bile acid (DCA) through regulation of liver PR:PROJECT_SUMMARY lipid metabolism. PR:INSTITUTE QIMR Berghofer Medical Research Institute PR:DEPARTMENT Precision & Systems Biomedicine PR:LAST_NAME Mohamed PR:FIRST_NAME Ahmed PR:ADDRESS 300 Herston Road, Herston, QLD, 4006, Australia PR:EMAIL ahmed.mohamed@qimrberghofer.edu.au PR:PHONE +61738453992 #STUDY ST:STUDY_TITLE Effect of high-fat diet on serum lipidome in mice ST:STUDY_SUMMARY We analyzed mouse serum samples from a mouse dietary intervention experiment. ST:STUDY_SUMMARY Briefly, C57BL/6 mice (n=44) were divided into 4 groups (n=11 per group) and fed ST:STUDY_SUMMARY High-fat diet (HFD), 1% deoxycholic acid (DCA) in drinking water, both, or left ST:STUDY_SUMMARY as control for 9 months. For quality control, 12 TQC samples and 2 blanks were ST:STUDY_SUMMARY also included in the analysis (total 58 samples and 6 groups). The two ST:STUDY_SUMMARY treatments were selected to demonstrate the ability of lipidomics to detect ST:STUDY_SUMMARY gross changes induced by HFD in the serum lipidome, as well as specific/minor ST:STUDY_SUMMARY changes induced by the secondary bile acid (DCA) through regulation of liver ST:STUDY_SUMMARY lipid metabolism. ST:INSTITUTE QIMR Berghofer Medical Research Institute ST:LAST_NAME Mohamed ST:FIRST_NAME Ahmed ST:ADDRESS 300 Herston Road ST:EMAIL ahmed.mohamed@qimrberghofer.edu.au ST:PHONE +61738453992 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL/6 #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 - S1A Diet:Normal | BileAcid:water RAW_FILE_NAME=S1A.d SUBJECT_SAMPLE_FACTORS - S2A Diet:Normal | BileAcid:water RAW_FILE_NAME=S2A.d SUBJECT_SAMPLE_FACTORS - S3A Diet:Normal | BileAcid:water RAW_FILE_NAME=S3A.d SUBJECT_SAMPLE_FACTORS - S4A Diet:Normal | BileAcid:water RAW_FILE_NAME=S4A.d SUBJECT_SAMPLE_FACTORS - S5A Diet:Normal | BileAcid:water RAW_FILE_NAME=S5A.d SUBJECT_SAMPLE_FACTORS - S6A Diet:Normal | BileAcid:water RAW_FILE_NAME=S6A.d SUBJECT_SAMPLE_FACTORS - S7A Diet:Normal | BileAcid:water RAW_FILE_NAME=S7A.d SUBJECT_SAMPLE_FACTORS - S8A Diet:Normal | BileAcid:water RAW_FILE_NAME=S8A.d SUBJECT_SAMPLE_FACTORS - S9A Diet:Normal | BileAcid:water RAW_FILE_NAME=S9A.d SUBJECT_SAMPLE_FACTORS - S10A Diet:Normal | BileAcid:water RAW_FILE_NAME=S10A.d SUBJECT_SAMPLE_FACTORS - S11A Diet:Normal | BileAcid:water RAW_FILE_NAME=S11A.d SUBJECT_SAMPLE_FACTORS - S1B Diet:Normal | BileAcid:DCA RAW_FILE_NAME=S1B.d SUBJECT_SAMPLE_FACTORS - S2B Diet:Normal | BileAcid:DCA RAW_FILE_NAME=S2B.d SUBJECT_SAMPLE_FACTORS - S3B Diet:Normal | BileAcid:DCA RAW_FILE_NAME=S3B.d SUBJECT_SAMPLE_FACTORS - S4B Diet:Normal | BileAcid:DCA RAW_FILE_NAME=S4B.d SUBJECT_SAMPLE_FACTORS - S5B Diet:Normal | BileAcid:DCA RAW_FILE_NAME=S5B.d SUBJECT_SAMPLE_FACTORS - S6B Diet:Normal | BileAcid:DCA RAW_FILE_NAME=S6B.d SUBJECT_SAMPLE_FACTORS - S7B Diet:Normal | BileAcid:DCA RAW_FILE_NAME=S7B.d SUBJECT_SAMPLE_FACTORS - S8B Diet:Normal | BileAcid:DCA RAW_FILE_NAME=S8B.d SUBJECT_SAMPLE_FACTORS - S9B Diet:Normal | BileAcid:DCA RAW_FILE_NAME=S9B.d SUBJECT_SAMPLE_FACTORS - S10B Diet:Normal | BileAcid:DCA RAW_FILE_NAME=S10B.d SUBJECT_SAMPLE_FACTORS - S11B Diet:Normal | BileAcid:DCA RAW_FILE_NAME=S11B.d SUBJECT_SAMPLE_FACTORS - S1C Diet:HighFat | BileAcid:water RAW_FILE_NAME=S1C.d SUBJECT_SAMPLE_FACTORS - S2C Diet:HighFat | BileAcid:water RAW_FILE_NAME=S2C.d SUBJECT_SAMPLE_FACTORS - S3C Diet:HighFat | BileAcid:water RAW_FILE_NAME=S3C.d SUBJECT_SAMPLE_FACTORS - S4C Diet:HighFat | BileAcid:water RAW_FILE_NAME=S4C.d SUBJECT_SAMPLE_FACTORS - S5C Diet:HighFat | BileAcid:water RAW_FILE_NAME=S5C.d SUBJECT_SAMPLE_FACTORS - S6C Diet:HighFat | BileAcid:water RAW_FILE_NAME=S6C.d SUBJECT_SAMPLE_FACTORS - S7C Diet:HighFat | BileAcid:water RAW_FILE_NAME=S7C.d SUBJECT_SAMPLE_FACTORS - S8C Diet:HighFat | BileAcid:water RAW_FILE_NAME=S8C.d SUBJECT_SAMPLE_FACTORS - S9C Diet:HighFat | BileAcid:water RAW_FILE_NAME=S9C.d SUBJECT_SAMPLE_FACTORS - S10C Diet:HighFat | BileAcid:water RAW_FILE_NAME=S10C.d SUBJECT_SAMPLE_FACTORS - S11C Diet:HighFat | BileAcid:water RAW_FILE_NAME=S11C.d SUBJECT_SAMPLE_FACTORS - S1D Diet:HighFat | BileAcid:DCA RAW_FILE_NAME=S1D.d SUBJECT_SAMPLE_FACTORS - S2D Diet:HighFat | BileAcid:DCA RAW_FILE_NAME=S2D.d SUBJECT_SAMPLE_FACTORS - S3D Diet:HighFat | BileAcid:DCA RAW_FILE_NAME=S3D.d SUBJECT_SAMPLE_FACTORS - S4D Diet:HighFat | BileAcid:DCA RAW_FILE_NAME=S4D.d SUBJECT_SAMPLE_FACTORS - S5D Diet:HighFat | BileAcid:DCA RAW_FILE_NAME=S5D.d SUBJECT_SAMPLE_FACTORS - S6D Diet:HighFat | BileAcid:DCA RAW_FILE_NAME=S6D.d SUBJECT_SAMPLE_FACTORS - S7D Diet:HighFat | BileAcid:DCA RAW_FILE_NAME=S7D.d SUBJECT_SAMPLE_FACTORS - S8D Diet:HighFat | BileAcid:DCA RAW_FILE_NAME=S8D.d SUBJECT_SAMPLE_FACTORS - S9D Diet:HighFat | BileAcid:DCA RAW_FILE_NAME=S9D.d SUBJECT_SAMPLE_FACTORS - S10D Diet:HighFat | BileAcid:DCA RAW_FILE_NAME=S10D.d SUBJECT_SAMPLE_FACTORS - S11D Diet:HighFat | BileAcid:DCA RAW_FILE_NAME=S11D.d SUBJECT_SAMPLE_FACTORS - Blank_1 Diet:blank | BileAcid:blank RAW_FILE_NAME=Blank_1.d SUBJECT_SAMPLE_FACTORS - Blank_2 Diet:blank | BileAcid:blank RAW_FILE_NAME=Blank_2.d SUBJECT_SAMPLE_FACTORS - TQC_1 Diet:QC | BileAcid:QC RAW_FILE_NAME=TQC_1.d SUBJECT_SAMPLE_FACTORS - TQC_2 Diet:QC | BileAcid:QC RAW_FILE_NAME=TQC_2.d SUBJECT_SAMPLE_FACTORS - TQC_3 Diet:QC | BileAcid:QC RAW_FILE_NAME=TQC_3.d SUBJECT_SAMPLE_FACTORS - TQC_4 Diet:QC | BileAcid:QC RAW_FILE_NAME=TQC_4.d SUBJECT_SAMPLE_FACTORS - TQC_5 Diet:QC | BileAcid:QC RAW_FILE_NAME=TQC_5.d SUBJECT_SAMPLE_FACTORS - TQC_6 Diet:QC | BileAcid:QC RAW_FILE_NAME=TQC_6.d SUBJECT_SAMPLE_FACTORS - TQC_7 Diet:QC | BileAcid:QC RAW_FILE_NAME=TQC_7.d SUBJECT_SAMPLE_FACTORS - TQC_8 Diet:QC | BileAcid:QC RAW_FILE_NAME=TQC_8.d SUBJECT_SAMPLE_FACTORS - TQC_9 Diet:QC | BileAcid:QC RAW_FILE_NAME=TQC_9.d SUBJECT_SAMPLE_FACTORS - TQC_10 Diet:QC | BileAcid:QC RAW_FILE_NAME=TQC_10.d SUBJECT_SAMPLE_FACTORS - TQC_11 Diet:QC | BileAcid:QC RAW_FILE_NAME=TQC_11.d SUBJECT_SAMPLE_FACTORS - TQC_12 Diet:QC | BileAcid:QC RAW_FILE_NAME=TQC_12.d #COLLECTION CO:COLLECTION_SUMMARY Mouse serum lipids were extracted using the lipid extraction method by Matyash CO:COLLECTION_SUMMARY et al(J Lipid Res 2008, 49, (5), 1137-46). Mouse serum (30 µL) was added to 215 CO:COLLECTION_SUMMARY µL of ice-cold methanol containing 50 µg/mL butylated hydroxytoluene (BHT). CO:COLLECTION_SUMMARY Samples were homogenized by three rounds of vortex mixing for 30 seconds, CO:COLLECTION_SUMMARY freezing in liquid nitrogen for one minute, thawing for two minutes and CO:COLLECTION_SUMMARY sonicating for 10 minutes at 15°C, power 100% in a Grant XUB18 bath sonicator. CO:SAMPLE_TYPE Blood (serum) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY C57BL/6 mice (n=44) were divided into 4 groups (n=11 per group) and fed High-fat TR:TREATMENT_SUMMARY diet (HFD), 1% deoxycholic acid (DCA) in drinking water, both, or left as TR:TREATMENT_SUMMARY control for 9 months. Serum samples were collected and analyzed by targeted TR:TREATMENT_SUMMARY lipidomics as described in Supplemental Information. The two treatments were TR:TREATMENT_SUMMARY selected to demonstrate the ability of lipidomics to detect gross changes TR:TREATMENT_SUMMARY induced by HFD in the serum lipidome, as well as specific/minor changes induced TR:TREATMENT_SUMMARY by the secondary bile acid (DCA) through regulation of liver lipid metabolism. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Mouse serum lipids were extracted using the lipid extraction method by Matyash SP:SAMPLEPREP_SUMMARY et al. Mouse serum (30 µL) was added to 215 µL of ice-cold methanol containing SP:SAMPLEPREP_SUMMARY 50 µg/mL butylated hydroxytoluene (BHT). Samples were homogenized by three SP:SAMPLEPREP_SUMMARY rounds of vortex mixing for 30 seconds, freezing in liquid nitrogen for one SP:SAMPLEPREP_SUMMARY minute, thawing for two minutes and sonicating for 10 minutes at 15°C, power SP:SAMPLEPREP_SUMMARY 100% in a Grant XUB18 bath sonicator. SPLASH LipidoMix Mass Spec Standard (10 SP:SAMPLEPREP_SUMMARY µL, undiluted) and Cer/Sph mixture II (10 µL, undiluted) internal standards SP:SAMPLEPREP_SUMMARY mixes from Avanti Polar Lipids were then added to each sample. After overnight SP:SAMPLEPREP_SUMMARY incubation at -30°C, 750 µL MTBE was added and each tube was vortex mixed for SP:SAMPLEPREP_SUMMARY 10 seconds and shaken for 10 minutes on a tube rotator (4°C). MilliQ water (188 SP:SAMPLEPREP_SUMMARY µL) was then added, and the tube was vortex mixed for 30 seconds to form a SP:SAMPLEPREP_SUMMARY biphasic separation. After centrifuging for 15 minutes at 15,000 ×g, the clear SP:SAMPLEPREP_SUMMARY upper phase containing lipids in MTBE was transferred to another tube and dried SP:SAMPLEPREP_SUMMARY down using a gentle stream of nitrogen. Prior to LC-MS/MS analysis, the samples SP:SAMPLEPREP_SUMMARY were resuspended in a mixture of 50 µL methanol (containing 50 µg/mL SP:SAMPLEPREP_SUMMARY BHT)/toluene (90/10%, v/v) and 4µL was used as the injection volume. SP:PROCESSING_STORAGE_CONDITIONS On ice #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY buffer A contained 50% acetonitrile and buffer B contained 95% acetonitrile in CH:CHROMATOGRAPHY_SUMMARY water. Buffers were supplemented with 25 mM ammonium formate (pH 4.6) and 0.1% CH:CHROMATOGRAPHY_SUMMARY formic acid. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Agilent HILIC Plus RRHD (100 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6490 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Targeted lipidomics were performed on an Agilent Technologies 1290 Infinity MS:MS_COMMENTS UHPLC system with an Agilent HILIC Plus RRHD 2.1×100 mm 1.8-micron column, MS:MS_COMMENTS coupled online to an Agilent 6490A Triple Quadrupole mass spectrometer with MS:MS_COMMENTS iFunnel and Agilent Jet Stream (AJS) electrospray ionization (ESI) source, MS:MS_COMMENTS operated in dynamic MRM mode. The source nitrogen gas temperature was set to MS:MS_COMMENTS 250°C at a flow of 15 L/min and a sheath gas temperature of 400°C at a flow of MS:MS_COMMENTS 12 L/min. The capillary voltage was set to 4000 V for positive mode and 5000 V MS:MS_COMMENTS for negative mode and the nebulizer operated at 30 psi. Ion funnel high and low MS:MS_COMMENTS pressure in positive and negative mode were 150 and 120. Check tunes were MS:MS_COMMENTS performed in wide, unit and enhanced modes prior to each experiment to confirm MS:MS_COMMENTS the performance of the mass spectrometer. The quadrupole was tuned to reference MS:MS_COMMENTS masses 118.09, 322.05, 622.03, 922.01 and 1221.99 in positive ionization mode; MS:MS_COMMENTS 112.99, 302.00, 601.98, 1033.99 and 1333.97 in negative ionization mode. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS intensity MS_METABOLITE_DATA_START Samples S1A S2A S3A S4A S5A S6A S7A S8A S9A S10A S11A S1B S2B S3B S4B S5B S6B S7B S8B S9B S10B S11B S1C S2C S3C S4C S5C S6C S7C S8C S9C S10C S11C S1D S2D S3D S4D S5D S6D S7D S8D S9D S10D S11D Blank_1 Blank_2 TQC_1 TQC_2 TQC_3 TQC_4 TQC_5 TQC_6 TQC_7 TQC_8 TQC_9 TQC_10 TQC_11 TQC_12 Factors Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:blank | BileAcid:blank Diet:blank | BileAcid:blank Diet:QC | BileAcid:QC Diet:QC | BileAcid:QC Diet:QC | BileAcid:QC Diet:QC | BileAcid:QC Diet:QC | BileAcid:QC Diet:QC | BileAcid:QC Diet:QC | BileAcid:QC Diet:QC | BileAcid:QC Diet:QC | BileAcid:QC Diet:QC | BileAcid:QC Diet:QC | BileAcid:QC Diet:QC | BileAcid:QC LPC 18:1(d7) 1603849 1581032 1600005 1695387 1465645 1636445 1376774 1767487 1539081 1840203 1670646 1408949 1634418 1879388 1974894 1535695 1888508 1819749 1746384 1763604 1660647 1595085 1019896 1233172 1251974 1259922 1078267 993273 1423639 1228218 1204068 1163541 877594 1522280 1747300 1151871 1313185 1316070 2447729 1440231 1534797 1604056 1668310 1689275 163 113 1359 1592 1615 1895 691 1768 2019 1958 2426 2414 2238 2371 LPC 14:0 22126 28497 27138 18417 24130 29301 26282 21445 26397 22157 25207 73009 40757 41657 38364 41035 62841 46699 38409 37622 37360 36723 15623 16324 15043 15092 20225 16217 21576 15613 22508 23623 17490 25150 24086 20395 18980 18180 21022 20622 20168 24504 21555 19786 262 128 21887 21432 20645 20984 20967 20006 22189 23111 22680 23619 22449 23608 LPC 16:0 81086552 81251024 63627568 77089160 80788904 85888928 75634056 73151064 76055928 63727624 73839032 76181016 80974648 74980448 66583168 82754480 74340248 75017320 77119352 74661224 80104072 75465480 80250376 77755584 73363936 77060376 85288296 87986592 66388816 77433880 86382096 81864968 83046616 70296976 59969860 75736400 70606440 77381608 71738840 73265544 74162800 71920152 69800872 57861448 60089 63137 68195976 67685872 67956760 67870888 68726328 70267080 73735272 74420736 75366520 76737072 77179888 79096744 LPC 16:1 3071952 3572977 2752344 2376122 3464364 2684225 3445417 3398876 3153821 2649190 3206263 5038443 4533861 4267147 4925561 5563660 4295792 5361596 5519924 5988015 5738762 5577604 2190621 1891395 2129439 1821580 2853612 2514998 2284806 2075347 2494664 2190315 3260623 2336628 2120035 2890456 2316856 2890687 2542919 2905160 2634707 2732754 2274145 1775611 1369 2540 2871854 2894272 2815516 2896038 2960510 2944976 3087477 3064457 3158173 3225785 3202608 3284994 LPC 18:0 40955684 38107916 25790836 37962420 35516948 39465312 32870852 32919356 32731942 28183446 28706382 20339188 27276518 19347082 19903626 21711940 20422852 18799754 26423508 23950742 28034880 25636778 56890764 50405068 50817688 51782868 52917260 54973748 35563532 52866560 52587588 55040324 44279756 37672876 35408872 42310456 37846980 38810356 37854672 41251796 44840540 40773800 38011880 32623740 32349 30711 35438064 34507264 34515264 34586276 35774544 34915796 37440904 37446600 40731908 39065488 40332732 40725828 LPC 18:1 41000184 40302324 38572612 39807812 40210348 38245152 41316216 40800372 38652996 41845516 38402052 51982128 42732568 47205452 44894556 53403780 45422832 45242432 44175456 48985332 46863116 46305008 38074296 34495564 39150448 32783154 46318340 46870404 40661136 36084580 42105288 37789716 54758668 37805376 39941152 50300924 44496316 53618308 46225776 48796696 43703288 43754392 44405128 39352228 27147 32829 40636892 40984572 39868284 39353488 40462604 40486592 43231320 43839920 45793908 45173320 46593032 48055136 LPC 18:2 44892640 42097032 40552100 42635536 41699096 45054192 41446504 41421732 41189852 50569800 36845268 45793080 40192500 34773240 39903584 41048060 34917640 32386002 31750898 36914876 34428652 33638692 43750760 37971920 49381596 35715040 38372476 42502000 42900564 49572360 43327152 42126064 45720028 42187024 43014572 44508156 41851576 33795004 45167292 43935484 35100628 36890120 35630588 34426996 21665 25979 36267920 35586848 35066896 36542560 35686904 35669724 39923052 39618152 40036156 41760892 41651768 43131976 LPC 20:0 1254552 1448722 910493 1897974 1574802 2007047 1278581 1215500 1520365 1479071 1459092 901662 856038 627150 913053 775340 784733 679969 1325566 1118022 1298121 1178267 739988 688351 679819 843861 507381 346346 411511 784847 591977 660198 460829 821829 1128578 383147 491907 284887 562258 783883 802109 730708 603801 661654 1811 1771 685971 681818 664808 708507 720813 713115 746877 788032 792233 804569 794340 810599 LPC 20:1 1760017 1848933 1460968 1641930 1682634 1685180 1766254 1720312 1694272 1492591 1654441 1444615 1494072 1132422 1601336 1437151 1529789 1390480 1927090 1874076 1909163 1928553 1038811 986308 1003613 1045241 1066500 924710 906694 1054548 1106913 1107715 1167967 1164261 1205055 945565 987142 913105 964356 1329135 1305994 1284576 1236336 999520 1025 2858 1152329 1140449 1192278 1130215 1168845 1230590 1306734 1313839 1289484 1332998 1326581 1360128 LPC 20:2 1472863 1284226 1138538 977622 1250095 902566 1340712 1271377 1218604 1109649 1078948 781811 923047 778889 945488 939411 769477 869679 952059 1003760 900873 953727 1349771 1110804 1495094 1121902 1340127 1374441 1210134 1360148 1260062 1182086 1712087 1062270 1083345 1336673 1196718 1267911 1124383 1466818 1209212 1176243 1001698 913999 180 433 1113352 1117800 1128711 1075637 1128541 1089489 1208407 1261591 1265639 1229490 1306241 1270600 LPC 20:3 11362663 8793557 8632598 5982569 7888215 5554479 9187480 8843999 8129615 7883263 7094471 5774545 7084531 6022789 6959119 6965162 5889557 6629057 6152899 6817664 5651559 6567714 12312874 9289400 14310234 9921169 12106161 13335363 11100179 12410816 10782096 9604951 15166592 8388595 8368372 11616150 10530391 12144768 9296660 11334936 10579893 10171531 8782898 7198627 3906 3583 9345728 9140932 9191148 9340314 9362309 9302146 9806544 9774077 10298754 10410019 10374224 10768024 LPC 20:4 17482664 13383533 16008231 8100404 11159028 9451223 12336227 15382918 11296997 14804728 10728347 9723011 9723321 8160663 8308957 6249612 5705477 8223146 6315235 6702610 6229675 6582292 33035992 31369834 35866184 28715796 35544652 41789852 34769412 31963060 35296756 31728832 34010836 20797736 16288739 30123608 27726924 30864816 25552870 24087806 24943552 22015340 21444460 16443780 9582 7171 20326436 20816192 20728822 20306874 21424086 20797128 22434532 21840582 23261232 22942812 24672728 24474676 LPC 20:5 1387767 1485649 857184 1094414 1430790 1257209 1289769 1237368 1206837 1192302 1148721 871478 1259397 825611 1535467 989546 593500 802567 1098699 1233804 1207295 1287030 701153 566902 855370 563279 753386 827460 613567 776199 715753 638996 1065861 840135 954870 1011649 862742 931648 883969 811582 830445 913583 743421 788335 458 287 874941 878205 893261 897077 931987 903848 949883 972431 969869 1043015 1008620 1091648 LPC 22:0 414150 619206 523193 464468 459667 565013 479299 543545 531840 512041 631922 330038 363843 286981 530287 271884 456735 364199 412094 406747 316516 506998 1276962 1202275 1306771 1178254 949068 1135847 702715 857439 1052436 1824917 1285168 635929 712513 734485 768145 663685 481632 465724 697150 733862 1033300 1153753 9174 18308 397432 404800 425523 457914 562064 640087 672597 605935 662224 723802 774380 777286 LPC 22:1 145134 167568 143906 174020 173396 194529 161612 164707 174770 176867 176691 129236 125839 105853 149706 106923 115853 102017 204193 180349 195539 184868 97385 104271 101057 113578 77129 76961 82205 106413 93350 108951 84705 106639 139477 64843 76924 65319 82850 100805 104445 96740 95621 97675 95 435 100804 95278 97226 97421 106364 105489 107248 111459 118901 113474 119156 118965 LPC 22:2 23390 24471 24088 22278 25452 22470 18277 22362 26251 30070 23688 20069 15484 16380 19086 19297 19862 19153 22882 20889 22011 20929 17882 15570 18828 20287 10951 14639 13241 15367 13170 17497 13889 16329 16586 13945 11641 12167 11768 15407 15576 15923 12800 14194 42 90 13452 13115 12236 16904 13624 14246 18563 17550 14961 18234 16550 19387 LPC 22:3 40730 38056 42282 31613 38711 30222 41382 38465 34872 36347 35045 29535 26128 30172 26937 26744 24914 28585 31924 29587 28873 28417 49955 41429 50653 44104 48313 52194 49948 43455 41097 36999 53232 31161 28678 45959 41613 44750 36706 47168 39330 39141 33255 30024 34 49 37284 38501 36764 36744 36768 36971 40101 40095 41446 39805 42482 42125 LPC 22:4 328983 318546 282753 224499 318292 186286 334602 278374 275393 251299 254824 221071 166636 218084 181198 193230 151103 177172 194386 169732 182042 178182 466305 392197 536196 402459 481319 511389 404180 411888 391455 352247 514905 229409 238269 401562 372450 405020 335855 384170 325792 322445 265961 259515 149 98 303010 310906 303950 307880 311161 308345 329753 345192 345212 364598 363904 357650 LPC 22:5 2893400 2736792 2113405 2043342 2798188 1730398 2899024 2517611 2329408 2324587 2335969 2373655 1689699 2119834 1876194 1841299 1345527 1494579 1696258 1694364 1676088 1674856 2627861 2438756 2993763 2515823 2667025 3048641 1937208 2805365 2421026 2192108 2796145 1561594 1756170 2573813 2431769 2308221 2109952 2077918 2327668 1931346 1684659 1785993 364 319 2075696 2090272 2177173 2172984 2139958 2166844 2270464 2324913 2327455 2335627 2412990 2388036 LPC 22:6 21636128 17699582 14023841 12553743 15257860 11444690 17219260 17551066 13376466 16784354 12959568 12229519 11608781 11914300 12369093 9096606 8566223 9032050 9172927 9603417 9355497 9749237 17691382 17582776 20187398 16719722 16128351 21321972 11934185 21861054 17820018 16474065 19641214 12366489 11432863 18046182 16654844 16850432 14569770 13876706 17146606 13663442 12095783 12141811 2905 2731 14139866 14021866 13605528 13258240 14446397 14702745 14742821 15404511 15880728 15721619 16585971 16804442 LPC 24:0 478214 571501 436133 521462 468764 534696 501489 499644 496144 584223 585045 318461 343762 265727 390597 299017 284698 284271 369985 368776 356479 372403 895137 825850 936663 775158 643671 784510 528256 699103 759375 1104277 738153 431399 520995 445835 455973 406075 375464 382910 547123 486772 529911 595189 5544 6745 388134 400528 394638 439943 481921 516576 534766 537349 573528 558880 604993 621747 LPC 24:1 116994 142904 118206 141536 130237 147648 136590 134128 131594 141623 143905 112906 106456 92443 135467 91449 120013 98248 143123 128313 136674 137525 139312 143718 155077 140777 121058 139451 111967 127468 135436 196516 149486 99563 125392 94566 100841 95553 82166 90228 110926 111297 135706 150177 1187 2243 88847 91441 92099 91282 103298 116464 117377 117153 122594 124602 135165 129342 LPC 26:0 42539 54256 64994 38636 33440 39981 43260 53043 44433 46144 67546 38647 35787 42439 48797 42524 44232 52169 37040 61166 31461 51419 116670 127566 137881 98443 91037 93641 80814 88066 110699 141768 119509 81189 79144 79864 81494 84622 75598 65125 74418 76491 95561 100131 504 3653 29875 33880 37065 49925 68049 84562 80446 75114 77642 92208 93822 102580 LPE 18:1(d7) 52585 41325 41386 46552 40611 42524 39860 42948 37628 38211 44273 36324 41052 40392 42816 41169 38042 44279 36556 42420 38810 36817 38091 40194 41769 41629 42061 34659 39907 39180 41987 37175 35184 38802 43908 40115 38995 43813 71048 42963 42928 49038 43922 36212 NA 35 29 40 10 18 54 40 67 63 52 89 25 99 LPE 16:0 446002 374697 294191 459100 448765 402277 459246 340593 377254 373664 408275 296352 375412 237052 325101 359653 308971 330404 345519 385044 414205 314967 288021 237906 240605 252436 230579 337554 256327 312410 272547 282777 353716 207906 232032 306593 248504 300696 246013 296213 319295 321310 278775 267693 132 68 314728 329537 311716 295841 359168 321844 344961 370296 324296 361045 328180 314815 LPE 16:1 5589 7975 5496 7470 7679 7282 7612 6250 8482 8374 7792 6476 9014 9538 10304 11074 8452 10083 13759 13571 17686 12757 4166 4141 4581 3285 3419 4910 4140 5102 3735 4229 6610 3455 4166 7378 5163 5054 5315 5472 3769 4506 4424 3746 1 0 7127 5479 5755 5066 5618 6595 6527 6456 7340 7290 6823 6504 LPE 18:0 91135 73213 62477 92526 96940 87668 86479 76748 83600 75102 83502 56694 65175 48570 47721 60150 45171 47572 61426 78133 68977 63477 116941 87994 118158 101271 100874 134029 73747 137061 100686 106225 123078 70409 71475 96867 81084 92920 76551 89987 77032 92502 79347 65216 62 71 81892 80225 76256 80583 78285 76972 82325 80480 100543 89293 86006 92093 LPE 18:1 121835 112389 133135 130231 143316 167506 132750 80198 125054 125624 102431 179877 135911 161267 116089 194968 129330 109322 162609 178983 210349 132412 76636 102708 87351 70599 65797 102212 74721 122302 71619 88537 95822 69734 72399 106096 90200 77084 78397 78272 55588 71640 72537 64737 70 194 98846 94163 94755 104536 94822 96099 104645 117284 106948 112153 101011 114032 LPE 18:2 264970 221887 238853 335938 287971 341499 273125 193406 264038 299382 287319 265221 232944 210016 184376 294673 235750 138095 195568 205872 247045 172436 240250 245436 275615 165409 134564 257227 169127 330360 181169 244992 282734 202561 211638 448298 371149 167555 296062 265173 110751 173337 185973 149729 28 10 234195 226563 220732 203660 215651 217888 239597 239906 240425 249533 231750 230925 LPE 20:0 3088 3441 2522 4621 2896 3859 3627 3169 3258 4137 3657 2692 1968 1285 1994 2014 1813 1325 2521 3011 2974 2159 1440 1506 1532 1645 1255 857 1050 1615 1391 1777 1363 1546 1782 1173 1057 855 1476 1411 1470 1628 1202 1199 30 41 1284 1596 1712 2134 1698 1259 1259 1964 1632 1588 2059 1756 LPE 20:1 7044 7321 4753 6575 8457 6444 7876 6688 6526 6959 6662 2930 4542 2778 4176 2834 3198 2715 4364 5052 5276 4906 3958 3986 4663 4609 3050 4633 3133 5112 3866 4118 5163 2895 3511 4202 3770 3309 3739 4442 3685 4216 2725 3077 0 12 4857 4054 4499 5020 3791 4594 4222 4348 5174 5384 5523 5810 LPE 20:2 3153 3994 2411 3334 4469 2680 4093 3782 3088 4890 3494 1401 2118 2409 2988 2466 2076 1728 2553 2749 2811 2118 2269 2396 2606 2064 1723 3148 2058 3260 1670 2390 3682 1867 2672 3926 3294 2396 2263 2677 2478 1983 1611 1120 17 0 2548 2512 2394 2564 2838 2895 2643 2673 2334 2978 2631 2974 LPE 20:3 37483 40697 20430 35661 43945 25858 49064 32595 36639 40481 33536 16460 23483 23982 26189 26969 23706 21443 27272 25176 28784 21914 29777 29898 31452 29629 19594 39653 22479 41965 23070 28178 35684 25581 26008 41358 31419 28936 28683 30263 27049 25555 27080 20901 1 0 30774 28226 32750 32512 30899 28530 30652 30160 31595 31879 31839 28972 LPE 20:4 271203 251288 153238 220673 276511 191372 290533 248376 228648 263371 214770 77860 107755 105268 99375 86080 86471 82170 95491 106274 123359 92600 296291 313426 352732 299836 221564 412521 240457 391091 255843 302860 366377 203954 183596 353843 277353 290257 263596 262342 233993 227041 254807 184244 51 41 259249 234989 243344 233396 273502 275690 274695 254506 285059 274734 262141 283933 LPE 20:5 17514 22061 6511 18431 26728 16947 22564 16954 17890 18834 19905 5947 10029 7931 11783 10098 7422 5582 10795 12361 13065 10488 6542 5271 8495 6802 4394 8103 4459 11154 5419 7238 10455 7828 8562 12644 8629 8440 8777 7646 7781 7846 6339 7351 4 1 11575 10086 10228 10552 11186 9407 10804 11330 11496 11793 10883 11634 LPE 22:4 3599 3963 1760 3889 5271 2268 4547 3177 4272 4537 3392 1983 1628 2736 1728 2431 1387 1941 2501 2310 2754 2152 3924 3835 3632 3415 2039 3580 3119 3275 2550 3439 4096 2132 2752 4666 3550 3833 2952 3527 2549 2381 2620 2305 0 1 2710 2547 2550 1883 3262 3293 2485 2843 3581 3504 3665 3034 LPE 22:5 44246 46829 20021 49213 58599 29714 52703 38484 38851 44430 44720 20996 22720 32279 23023 27844 18796 17542 29012 25115 35742 23561 25740 25380 30185 31880 18258 32819 19266 35524 20424 20575 33163 19003 26235 34190 31427 24744 27219 24560 30650 23213 22348 24724 0 0 29873 31349 30990 29864 30600 28570 32041 29079 31209 35084 34493 34053 LPE 22:6 513698 484681 241294 431088 459015 313803 517001 489061 388745 505353 418222 172178 247022 263236 228896 233505 187005 195752 228215 228770 276055 241881 288444 316834 375876 396604 225487 375237 209049 389236 278532 310583 382013 243647 272587 433489 382006 388576 326682 284737 471478 288630 291849 295113 3 126 358893 366612 351929 348391 342431 375780 352060 371842 384849 371246 380489 357502 PC(O-32:0) 610748 745249 716785 779117 762418 765347 695984 798276 782352 910352 682526 1171930 748641 919951 784006 794095 1020499 911018 735843 720975 650690 728374 731776 730473 610757 726677 633451 654233 813923 679951 631290 598676 645070 609883 669585 599157 720112 614679 691284 599280 701338 605957 603010 614100 177 37 661201 582332 619452 635075 647364 652443 673229 701232 656573 689301 706157 721004 PC(O-34:1) 579188 650163 565010 705076 798405 726802 702264 703804 705635 860836 672012 2079759 902157 1527409 1063797 1335080 1784564 1311975 916156 825752 885333 964196 566635 562064 600283 592862 620998 687590 640006 580735 608316 603090 666118 657790 777302 666729 652944 659307 732898 685184 718483 672486 587147 671635 3910 3255 639438 678843 688455 631466 771041 699660 731220 768085 738480 802304 819565 788269 PC(O-34:2) 361772 490953 443158 514525 508165 522849 418006 503314 480698 700547 437881 2832468 674000 1172668 759965 1072673 2214561 999520 489657 550720 512150 557230 253013 261567 260049 259178 184632 227401 235542 277863 217994 260244 211411 372596 472170 231900 255236 202152 267829 256143 296802 264073 280308 358304 1395 1714 354478 351498 343862 355705 369497 380611 375964 378188 366889 379685 385496 444968 PC(O-34:3) 21902 34898 24943 48244 41441 34016 26948 22868 35143 30998 29158 32032 26446 16989 17108 36253 24104 19317 29221 28014 31864 35395 8260 6650 7274 5189 4211 3748 8271 6338 6392 3643 4454 8602 10221 7226 6760 6501 6330 9360 12603 8583 5235 6790 101 57 10817 10619 11126 10443 12130 10063 10457 12088 12530 12050 13425 13244 PC(O-36:2) 678462 839325 709639 773712 794506 787463 619505 777909 651906 961531 653904 1845564 766011 1039951 828176 1081266 1583537 967780 650689 673647 587276 665342 625547 589661 673810 597774 534031 560620 523541 733900 550044 656695 561587 640350 731496 569416 547387 446589 607815 579952 635661 590388 561719 648098 7321 7949 581362 550145 599104 603597 650940 639193 693918 676638 700430 708199 691834 723153 PC(O-36:3) 100678 119794 105019 144191 118328 132635 116061 124352 118845 174204 120694 314821 132665 209779 190408 203497 307364 192983 156903 158457 126919 156554 69984 66135 65916 64966 67223 61436 85080 88060 69938 70971 67523 89245 126801 77910 88782 69752 99026 93351 90732 88651 89127 97533 706 764 85077 96236 90832 93780 91060 90854 87172 87488 106751 104118 93938 108999 PC(O-36:4) 208162 205575 215164 263982 232217 288695 195337 200164 201785 234498 184243 407111 223685 254590 182731 255629 286638 238939 209036 189514 210846 211286 142615 139689 144285 150619 127639 133136 204091 151552 147104 113427 135957 207741 188427 156374 141405 148979 193090 194263 181125 169821 166887 153565 661 481 154441 154296 166934 138267 152734 165846 184746 172496 168511 189547 175972 176483 PC(O-36:5) 294494 338114 273151 348401 377858 316971 301932 287862 377948 369301 287556 262027 242854 218699 196289 253488 158726 172914 262182 219840 270196 246555 369374 317409 341905 335043 260747 388424 393889 320007 263397 274068 305114 285815 324976 438471 385308 509116 369733 460983 501821 358310 311412 272876 59 192 316165 339422 321095 338304 323306 392704 339856 360762 358723 367549 386579 370622 PC(O-38:0) 556335 739612 433263 519011 672893 517090 658003 599834 616558 662279 684473 838735 622515 719483 747709 745204 603577 759618 878631 828791 761059 795969 349383 382331 420872 371931 386528 394397 327428 448102 378502 347511 409549 429227 525574 426906 464683 452002 519757 467462 482525 451224 520609 446946 1880 1623 410844 411291 425066 473060 418638 468761 491369 477921 445768 452293 469929 475840 PC(O-38:2) 255435 322556 338904 442832 266220 374322 265423 243179 212533 326594 269511 300011 219993 292142 280283 285099 303735 282790 269551 211126 210088 226773 70840 76622 85029 78256 79029 69929 87853 111645 82098 92488 76878 93210 134662 89823 89319 61307 114561 111916 102049 100540 86101 91917 180 NA 128194 133473 137939 134780 146104 143271 146049 154166 154918 168291 146344 149153 PC(O-38:3) 86971 112711 110394 99156 102479 96602 98158 112524 108957 112586 98041 224259 116073 171609 124812 166125 244380 175398 102847 107055 116555 109737 88555 80492 80401 80968 71977 66562 78724 96793 78184 80912 75640 101313 120061 83578 78359 72997 90900 95681 91189 88980 82657 95305 11 246 74772 84826 89725 91449 79248 85361 90490 82973 84693 97769 87204 95351 PC(O-38:4) 203457 219788 194540 199187 207702 233713 180413 226782 176147 264856 168732 545834 222570 294657 205995 320016 367821 274217 196657 168535 172670 189832 213121 213468 222972 224264 188079 191225 246287 262092 218541 207651 191998 246584 290098 183579 176011 182137 254464 203469 201486 232670 240765 195542 1548 1520 193141 209397 173505 194773 179718 212515 195772 219593 201768 226818 216836 233690 PC(O-38:5) 384178 377370 361266 421472 490691 529660 386414 385341 421032 451868 385926 427430 334929 354940 342947 433437 305186 295823 345127 296911 344040 309019 442296 472053 393812 448882 345522 456489 549766 451100 371478 365017 354344 425869 419622 369996 420451 325399 393405 429281 319156 347819 415826 323338 1146 807 355053 335026 314755 349235 345345 368272 392352 384540 371341 427426 427008 397317 PC(O-40:0) 1000430 1062022 765564 651084 999470 698131 1011195 950859 751793 1001239 912486 938081 908788 1226709 1062966 921298 746944 888152 1032565 932498 889279 939897 696716 895194 833760 868291 873561 943174 753114 1084717 862729 1054377 1045715 895242 796176 746212 752148 865603 963871 811336 1038034 961247 1010723 821286 1652 1084 741806 830505 847892 891512 928509 788728 917200 707968 942345 963254 963096 965882 PC(O-40:1) 591640 614754 520465 559198 579140 440767 493715 643305 513181 624505 543404 457501 505293 589068 540652 555975 374369 437110 564048 518843 529100 488101 1524266 1369935 1604701 1321612 1356571 2243613 1250682 1501498 1259615 1156057 1429505 856985 1055808 1151719 884913 1079291 980793 970825 1169960 811962 1052358 828608 5 607 901795 820798 1064265 970873 759702 913766 1082493 864847 1002681 1075704 1124183 1004749 PC(O-40:2) 64817 75751 45903 64410 58426 58305 57986 62970 65574 84670 71084 60886 48403 53748 65896 52808 46131 50167 57693 56291 59076 61913 65796 53394 82225 64992 57661 84575 36102 73380 50694 54022 76214 56411 73353 66846 52114 69049 63192 52691 82905 63548 51959 54471 40 68 60027 50782 51519 54310 58912 57842 59313 57388 61124 53418 60442 59639 PC(O-40:3) 37326 42155 37156 43855 41147 42782 37135 41656 36614 44939 34644 40190 43206 39282 38875 40886 43922 41556 42159 35643 37389 38485 22886 22462 23919 21666 17244 16256 21525 23880 23496 22624 18894 24006 30630 19707 17325 15589 24018 24322 21663 20744 23008 20337 43 17 23708 19259 22464 20720 23530 21609 26336 24779 26707 26857 30257 26372 PC(O-40:4) 88623 102760 124428 119014 107074 112538 93565 110123 114605 152137 89024 110756 76154 95984 88448 88957 77097 87352 93637 74686 79094 77088 88469 108192 90098 94154 74432 73843 118931 106244 101924 88513 82581 100476 115724 76500 86224 69703 105978 96676 94837 113008 90614 86264 654 848 80015 71298 77616 74973 83701 82756 88443 91081 90293 87245 97279 104209 PC(O-40:5) 91515 100703 96076 105653 115548 105505 96394 105466 115232 116681 83413 200062 92634 128354 97519 137242 148546 128064 87616 87147 96285 88290 102856 112132 96171 104733 92478 115104 111601 99398 92401 100102 84822 105217 125257 90126 87106 74111 93045 100069 97478 83648 104700 91285 646 425 86997 86289 80874 91135 80274 79061 95235 101605 95280 101404 103021 96832 PC(O-40:6) 274241 304911 235911 340636 337533 345393 345071 289344 287276 338877 266557 738198 332892 514389 328329 516911 706578 411704 274211 291343 308804 288934 244059 252386 241064 259847 176253 219516 215455 286031 207297 206554 224073 278683 372043 217482 261984 186085 289209 245543 268344 227650 289172 283155 351 1121 243946 223051 242249 230500 236064 212710 243542 260530 275382 261736 297906 279956 PC(O-40:7) 498422 473894 425238 614191 540125 443501 446668 523712 518061 542763 449171 432788 361250 403691 405378 458910 291856 319392 419430 359937 421775 371592 442821 488307 422020 506812 310992 437057 387839 484799 328805 391401 411365 370446 504942 375622 419920 343756 417779 444788 479180 335687 432768 399905 237 946 367598 336690 413255 367134 406701 344860 433154 428612 431857 461404 520770 470118 PC(P-32:0) 40154 40299 41789 35463 48177 37677 45521 40460 45223 70265 43059 81380 53805 86590 79095 82603 88563 69430 61292 55066 55646 61464 29053 30265 30459 30621 28701 27926 41058 30145 31194 28723 28799 33302 45464 28657 30413 30460 34745 35647 38980 38231 27989 30115 79 135 36979 43706 40413 37119 42744 45804 42420 41239 44009 44630 44423 47511 PC(P-34:1) 363385 437704 378509 484243 466643 465862 376458 418242 425641 622636 404801 2610838 616550 1087923 655229 970572 2086630 874752 459044 504662 465049 522139 199339 218027 211096 186122 134295 175128 203577 234479 160314 203041 158071 328302 428156 186136 217639 148084 207066 219662 230751 198446 230330 301536 890 1152 298115 323752 289395 299025 304378 343255 334699 325929 276258 342693 320086 382731 PC(P-34:2) 21902 34898 24943 48244 41441 34016 26948 22868 35143 30998 29158 32032 26446 16989 17108 36253 24104 19317 29221 28014 31864 35395 8159 6706 7274 5189 4594 3770 8271 6330 6377 3369 4527 8602 10221 7191 6760 6547 6330 9360 12603 8583 5147 6790 101 57 10817 10619 11126 10443 12130 10063 10457 12088 12530 12050 13425 13244 PC(P-34:3) 6123 5595 6588 10033 5886 8617 5806 4891 6488 6168 6564 9010 7126 5173 5409 7873 6110 5024 6109 5579 7981 8944 2843 1709 1992 1455 1498 1244 1559 1503 1673 1668 1617 2208 2152 2336 1850 1846 2085 2158 1385 2336 2643 2075 21 28 2717 2370 2551 3583 2792 2951 2538 3057 3075 3411 2887 3610 PC(P-36:1) 697525 868767 723734 830591 807316 818075 610979 789866 662557 1002466 722203 1866581 789823 1059939 830610 1097093 1596334 993246 678250 702009 610100 683404 606307 571294 681875 603297 514591 539737 509585 729533 535456 664139 564843 647304 764763 561137 579691 437865 640516 592755 642175 598429 550203 644840 7521 9273 603482 590168 625260 611460 654869 674561 704508 678471 693850 700151 687361 757641 PC(P-36:2) 170275 207467 173556 225782 201130 212863 195461 201289 206515 284307 201610 479011 230947 303906 294719 316244 448403 249835 237177 237315 207656 252685 101199 105477 132391 122264 114647 107856 149149 132257 129101 134550 129511 168571 217625 138052 151214 125491 167011 154577 152307 153056 157299 167132 1317 1257 148150 154872 155084 145934 153457 160208 149892 148339 180271 169316 175521 193519 PC(P-36:3) 208162 205575 215164 263982 232217 288695 195337 200164 208455 234498 184243 408273 224884 258465 182731 258198 287761 241427 212307 189252 215425 211286 142615 139689 144285 150619 127639 133136 204091 151552 147104 113427 134555 207741 188427 156374 141405 148979 193090 197448 181125 170807 166887 153565 648 474 154441 154296 166934 138267 152734 165846 184746 172496 168511 189547 175972 176483 PC(P-36:4) 294494 338114 273151 348401 377858 316971 301932 287862 377948 369301 287556 262027 242854 218699 196289 253488 158726 172914 262182 219840 270196 246555 369374 317409 341905 335043 260747 388424 393889 320007 263397 274068 305114 285815 324976 438471 385308 509116 369733 460983 501821 358310 311412 272876 20 192 316165 339422 321095 338304 323306 392704 339856 360762 358723 367549 386579 370622 PC(P-36:5) 35695 40856 26309 50701 41539 40091 35481 33643 34666 43444 35159 23501 37357 22136 35471 44838 21465 21638 33254 34117 38455 46498 14688 11278 14838 10979 8124 10904 12361 15674 11091 10840 11850 14122 17446 14347 13387 15081 13498 17327 17064 11593 13490 12891 83 45 18058 20117 19814 18450 17403 18651 21251 21058 19025 22919 18620 24614 PC(P-38:0) 45833 67683 56207 85746 51219 59790 51676 57326 42053 47631 49225 75076 61992 71716 74788 69424 73602 62331 63195 47734 60797 49874 12941 14260 15796 14792 15988 15683 19870 19375 20485 17082 15455 17939 27888 16990 18578 14046 20935 18956 16460 22674 20183 17817 148 92 24272 23483 22304 23816 25432 25058 27640 26341 29358 34443 27607 29013 PC(P-38:1) 255435 322556 338904 442832 266220 374322 265423 243179 212533 326594 269511 281553 219993 292142 277888 267277 290287 282790 269551 211126 205035 226773 70840 76622 85029 78256 79029 69929 87853 111645 82098 92488 76878 93210 134662 89823 89319 61307 114561 111916 102049 100540 86101 91917 957 NA 128194 133473 137939 134780 146104 143271 146049 154166 154918 168291 146344 149153 PC(P-38:2) 86971 112711 110394 99156 102479 96602 98158 112524 108957 112586 98041 224259 116073 171609 124812 166125 244380 175398 102847 107055 116555 109737 88555 74911 80401 73966 71977 66562 78724 91470 78184 80912 75640 92031 112838 83578 78359 72997 90900 95681 91189 88980 82657 95305 114 498 74772 82985 83242 85239 79248 85361 87050 82973 84693 93980 87204 95351 PC(P-38:3) 203457 219788 194540 199187 207702 233713 180413 226782 176147 264856 168732 545834 222570 294657 205995 320016 367821 274217 196657 168535 172670 189832 213121 213468 222972 224264 188079 191225 246287 262092 218541 207651 191998 246584 290098 183579 176011 182137 254464 203469 201486 232670 240765 195542 1548 1520 193141 209397 173505 194773 179718 212515 195772 219593 201768 226818 216836 233690 PC(P-38:4) 384178 377370 361266 421472 490691 529660 386414 385341 421032 451868 385926 427430 334929 354940 342947 433437 305186 295823 345127 296911 344040 309019 442296 472053 393812 448882 345522 456489 549766 451100 371478 365017 354344 425869 419622 369996 420451 325399 393405 429281 319156 347819 415826 323338 1146 807 355053 335026 314755 349235 345345 368272 392352 384540 371341 427426 427008 397317 PC(P-38:5) 373185 364609 270772 375530 361609 386151 351232 313015 317267 347346 287149 586989 311095 395824 300637 410441 495708 334200 294713 284841 311207 297337 223364 237528 223838 246034 148034 228152 232412 231694 194734 177009 198790 245766 261566 197866 230971 189398 242115 249617 218104 199898 211023 192060 598 526 221138 232342 237869 256866 226532 232070 262854 246208 270787 246592 258782 264054 PC(P-38:6) 4256 4311 3888 6482 4921 4484 3624 5007 4716 5902 3705 2163 2856 2871 3002 3308 1995 3021 2997 2535 3059 2445 3315 2716 3008 2828 1636 2670 2661 3283 2871 3178 3154 2455 3019 3094 2440 3186 2739 2818 3210 2173 2556 2360 0 5 2649 3170 2955 2510 2552 2938 3530 2409 2799 3457 4268 3966 PC(P-40:0) 591640 614754 520465 559198 579140 440767 493715 643305 513181 624505 543404 457501 505293 589068 540652 555975 374369 437110 564048 518843 529100 488101 1524266 1369935 1604701 1321612 1356571 2243613 1250682 1501498 1259615 1156057 1429505 856985 1055808 1151719 884913 1079291 980793 970825 1169960 811962 1052358 828608 487 607 901795 820798 1064265 970873 759702 913766 1082493 864847 1002681 1075704 1124183 1004749 PC(P-40:1) 64817 75751 45900 65020 58000 57970 57986 64170 65574 84670 71084 60886 48403 53748 65896 52808 46131 50167 57693 56291 59076 61913 64728 53394 82602 65604 57542 84443 36023 74205 50408 53606 76106 56411 73353 65805 52217 69287 63192 52691 82157 63548 51959 47685 245 45 59911 50665 51519 54310 58073 58593 59238 57271 63022 53151 61106 59639 PC(P-40:2) 36904 41840 37156 43200 41147 42782 37135 41656 36614 44939 34644 40190 43531 39282 38875 40886 43922 41556 42159 35643 37271 38485 22965 21998 23274 21406 17006 16256 21717 23958 23711 22564 18912 24006 30630 19826 17527 15636 24083 24426 21827 20892 22730 20014 34 704 23562 19496 22472 21023 23530 21723 26457 24593 26886 27136 30257 26634 PC(P-40:3) 88623 102760 124428 119014 107074 112538 93565 110123 114605 152137 89024 110756 76154 95984 88448 88957 77097 87352 93637 74686 79094 77088 88469 108192 90098 94154 74432 73843 118931 106244 101924 88513 82581 100476 115724 76500 86224 69703 105978 96676 94837 113008 90614 86264 654 1252 80015 71298 77616 74973 83701 82756 88443 91081 90293 87245 97279 104209 PC(P-40:4) 91515 100703 96076 105653 115548 105505 96394 105466 115232 116681 83413 200062 92634 128354 97519 137242 148546 128064 87616 87147 96285 88290 102856 112132 96171 104733 92478 115104 111601 99398 92401 100102 84822 105217 125257 90126 87106 74111 93045 100069 97478 83648 104700 91285 646 425 86997 86289 80874 91135 80274 79061 95235 101605 95280 101404 103021 96832 PC(P-40:5) 274241 304911 235911 340636 337533 345393 345071 289344 287276 338877 266557 738198 332892 514389 328329 516911 706578 411704 274211 291343 308804 288934 244059 252386 241064 259847 176253 219516 215455 286031 207297 206554 224073 278683 372043 217482 261984 186085 289209 245543 268344 227650 289172 283155 351 1121 243946 223051 242249 230500 236064 212710 243542 260530 275382 261736 297906 279956 PC(P-40:6) 498422 473894 425238 614191 540125 443501 446668 523712 518061 542763 449171 432788 361250 403691 405378 458910 291856 319392 419430 359937 421775 371592 442821 488307 422020 506812 310992 437057 387839 484799 328805 391401 411365 370446 504942 375622 419920 343756 417779 444788 479180 335687 432768 399905 237 946 367598 336690 413255 367134 406701 344860 433154 428612 431857 461404 520770 470118 PC 15:0/18:1(d7) 2255225 2282772 2456303 2196114 1991054 1918726 2166109 2689280 1883015 1911299 2019282 2467845 2526041 2869455 2784730 2279189 2978723 3208680 2367059 2543834 2155888 2333410 1605379 1630844 1697751 1583876 1387168 1440288 2091602 1677586 1666250 1652766 1245912 2114906 1899888 1356626 1579128 1790619 3122693 1839624 1977808 2185684 2321410 2066063 934 819 5225 4853 7417 4181 5221 6443 13206 7149 5478 9810 9496 7489 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name LPC 18:1(d7) LPC 14:0 LPC 16:0 LPC 16:1 LPC 18:0 LPC 18:1 LPC 18:2 LPC 20:0 LPC 20:1 LPC 20:2 LPC 20:3 LPC 20:4 LPC 20:5 LPC 22:0 LPC 22:1 LPC 22:2 LPC 22:3 LPC 22:4 LPC 22:5 LPC 22:6 LPC 24:0 LPC 24:1 LPC 26:0 LPE 18:1(d7) LPE 16:0 LPE 16:1 LPE 18:0 LPE 18:1 LPE 18:2 LPE 20:0 LPE 20:1 LPE 20:2 LPE 20:3 LPE 20:4 LPE 20:5 LPE 22:4 LPE 22:5 LPE 22:6 PC(O-32:0) PC(O-34:1) PC(O-34:2) PC(O-34:3) PC(O-36:2) PC(O-36:3) PC(O-36:4) PC(O-36:5) PC(O-38:0) PC(O-38:2) PC(O-38:3) PC(O-38:4) PC(O-38:5) PC(O-40:0) PC(O-40:1) PC(O-40:2) PC(O-40:3) PC(O-40:4) PC(O-40:5) PC(O-40:6) PC(O-40:7) PC(P-32:0) PC(P-34:1) PC(P-34:2) PC(P-34:3) PC(P-36:1) PC(P-36:2) PC(P-36:3) PC(P-36:4) PC(P-36:5) PC(P-38:0) PC(P-38:1) PC(P-38:2) PC(P-38:3) PC(P-38:4) PC(P-38:5) PC(P-38:6) PC(P-40:0) PC(P-40:1) PC(P-40:2) PC(P-40:3) PC(P-40:4) PC(P-40:5) PC(P-40:6) PC 15:0/18:1(d7) METABOLITES_END #END