#METABOLOMICS WORKBENCH ahmohamed_20200302_175121 DATATRACK_ID:1932 STUDY_ID:ST001323 ANALYSIS_ID:AN002201 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 10 mM ammonium acetate (pH 7.6). 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 UNSPECIFIED 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 PE 32:0 13540 15873 16004 21718 18040 20555 19578 22969 25406 26887 38785 25639 14862 15274 11281 15713 13261 16947 24734 32983 22646 20656 14708 17053 12702 16282 9460 15623 12730 15403 16621 16456 25000 8064 10538 22046 15093 14742 14740 24697 7399 9501 12555 14109 1 2 16412 14236 15305 16218 16464 13521 13576 14299 14016 14736 18405 18760 PE 32:1 11814 12774 11583 21800 14787 21027 17008 11133 25511 43005 36986 9297 13729 14479 25038 22518 10902 21644 45249 44150 56266 40978 4115 4981 6429 7314 4961 6328 8544 5683 5559 9006 11117 5397 16741 10123 8234 8967 9751 13725 9373 10828 10649 10788 0 1 13770 12132 13432 13272 12630 12651 14115 14711 11811 12284 14258 15010 PE 32:2 384 1276 2228 2403 2998 4537 906 3095 4864 4491 4605 1049 2239 1973 3996 2413 2381 3003 5178 4624 5594 4428 496 848 361 771 227 1664 334 840 1550 1430 1316 1524 468 1782 1185 1366 1921 1287 627 983 1130 2081 0 1 755 2206 2436 983 1845 2878 2494 1465 2389 1802 1434 2103 PE 34:1 119262 160307 151440 237403 170406 250896 187078 132692 299280 371385 299284 171017 179147 252282 260609 222094 179798 183581 409211 350526 497671 336603 82823 111378 89992 101969 81575 102342 101934 100218 115325 129287 149276 95914 163749 159312 123326 125497 119581 143748 80484 128073 132290 155749 0 1 175336 160041 145836 149014 143375 153687 181767 171089 169558 160829 159982 163079 PE 34:1 NEG 2002 2881 1167 4272 2606 5649 1850 3108 3709 4286 5225 2580 2240 5614 3488 2592 4021 2601 6779 7092 8308 6623 1224 1022 2668 1270 1945 1664 1916 1183 1552 3142 3260 758 2412 3153 1568 1854 1878 2283 790 1774 2490 1506 65 148 1989 2145 1657 3082 3045 2157 2627 2403 2535 2706 3148 2516 PE 34:2 240388 350214 308289 521102 404785 523376 315632 270907 493603 823324 631246 279354 352711 340947 414837 336137 358000 290892 456830 471028 588884 382259 196801 178714 197464 187675 106691 189546 167323 244628 198300 281246 248277 217767 321033 374286 333978 239258 308104 309377 160530 243672 289275 322936 221 0 317750 298507 286596 339583 303071 310214 261767 323342 323657 312723 313084 310028 PE 34:3 14765 23099 22590 37375 30811 34758 25377 18986 40050 55014 42647 19496 23765 28731 31097 28296 28186 23074 38954 41343 53928 44019 10801 10214 9268 11464 5383 9471 10907 10067 11542 15819 14057 11743 22414 18827 13208 11329 13801 15574 15876 17789 17778 15282 1 NA 22834 19971 20526 20561 17262 18968 16119 20805 21484 22730 21434 19730 PE 36:0 67525 53432 45490 77827 53165 59218 52115 49198 45556 63866 70769 39461 42021 34765 34402 37252 26350 38767 35331 40173 45394 47012 57991 54344 47473 68062 46795 56022 39558 57357 44750 49945 55919 31311 37544 45458 44291 36790 39861 38732 54195 33254 30992 39504 2 NA 50181 48249 49730 47947 43935 46658 50813 50797 39863 50157 51478 55748 PE 36:1 133630 141073 230844 212196 182220 256625 163004 111343 258536 237118 280372 145084 143696 166141 129637 160024 175383 123371 179639 203973 190788 173819 156200 193809 137859 142820 92348 151283 105910 218578 158874 222167 173669 123808 162750 260507 247055 128681 151609 148023 63252 129071 153945 159813 38 59 171541 169569 124168 135683 149408 146966 144603 143645 149538 160119 148131 131450 PE 36:1 NEG 10054 12451 12952 15699 13222 19186 7197 5778 18051 13495 18078 9949 9772 8913 6829 9191 10874 8117 11158 13562 12129 10821 11516 7681 9760 10068 5175 8224 6531 9751 10994 15212 10501 11570 10282 15324 9494 6956 12185 9712 6126 4774 9070 7897 160 282 7380 12049 8333 8093 7954 8566 6917 13501 8868 7740 11323 9319 PE 36:2 502985 468182 902580 819814 576836 967774 530903 414950 878485 957387 1021789 564868 487302 627579 664313 641900 835233 555877 708465 697181 799169 644876 579609 604450 766737 549770 426350 657323 629127 761173 568104 910979 730510 629304 836101 1344113 1001966 752002 813138 902252 401811 690990 772465 780713 711 342 782135 642117 677912 627678 709303 757627 627800 685177 668908 632874 689787 707441 PE 36:3 171602 223064 284784 270575 240791 335802 230144 200775 390848 445971 449702 247884 212695 229508 214865 217465 286433 208581 256739 285510 295668 258012 128253 168971 193579 148730 120087 143883 138428 167291 162395 246806 171285 193742 262146 296316 223767 172564 227029 259955 179374 200419 211976 255524 70 175 221094 238140 229663 239150 209617 248202 199438 219171 208953 221824 232419 228292 PE 36:4 264299 262717 322651 378113 313693 395507 292631 290927 472109 606227 543490 144803 165597 181755 228909 144295 195704 165931 267987 248563 308412 248874 190481 203736 288039 291832 195719 246966 206278 238899 254078 293709 306516 172600 261392 321743 310508 355595 237356 278059 337862 314922 325904 318987 144 64 291361 299290 274938 258103 333581 259751 245273 303055 275875 324358 284539 300778 PE 36:5 32029 46245 27330 60119 56316 47370 47427 46440 68303 72387 83148 20615 32798 21495 50377 27889 22530 24756 47029 50572 53825 46996 15009 14480 17066 19980 14320 18739 11693 17997 15386 18979 25126 13876 25415 24197 18547 24670 21070 22301 26266 32412 24380 28475 2 0 28971 34354 29166 35154 33510 36564 29262 30765 32802 26966 32641 30795 PE 38:0 47173 44276 44440 58159 52893 54295 43387 43468 39110 62829 52774 37885 40439 33552 35739 29294 22827 34868 31257 32689 30743 35684 71296 53985 59512 74194 52696 69641 49479 66162 54924 59688 60174 37724 42086 55596 46930 46501 36752 37005 36593 33193 41144 39926 NA NA 52979 50846 46941 57853 45177 56485 57381 54220 44696 46081 46231 40817 PE 38:1 22898 15576 18787 16963 20353 15539 19964 16654 17016 25127 24570 15374 15397 12628 11744 12019 11820 14643 10675 19889 15169 13947 16237 15282 13534 18287 12260 12877 9579 15170 11968 12401 14960 12688 9601 15570 11375 17004 12557 14408 13671 14313 12321 11309 73 48 13974 16803 16531 16842 15826 17270 16292 17192 12157 14592 16577 17933 PE 38:2 18560 19676 21204 29317 21483 20102 19354 21279 31221 31643 32517 15165 15903 18313 18768 15446 21968 15468 26490 26003 25381 22061 12715 12964 12948 12985 7192 11399 10279 9127 11951 12742 12475 10614 10962 14311 12993 11534 13702 14437 12227 11498 9895 13902 60 NA 15206 13821 15650 17735 14758 19673 8392 14352 15695 15104 15213 14882 PE 38:3 74782 79298 84454 101039 86084 79188 83713 68075 115887 131873 115868 52295 57701 57959 60901 52356 84131 59074 74834 78770 86252 74335 80521 89011 98387 101383 60307 93525 81041 105722 93113 102821 112116 71420 97539 121437 96808 90413 83967 101515 82176 95423 107275 98491 NA 65 100736 109902 98904 84887 96433 100982 89332 96503 82760 88635 92804 92206 PE 38:4 341871 331984 388131 403325 331863 323046 345183 322718 434010 595650 539793 199444 235319 196716 252171 152759 261572 215659 241115 253251 259722 246476 428426 507461 570135 571085 408535 653307 457943 712783 578469 700454 658511 404857 541735 790473 600282 642127 529735 544438 491978 556448 653373 559688 147 300 587005 539441 477530 502059 503043 536402 543241 598987 469173 502419 519601 479076 PE 38:5 186705 197419 234863 235619 227670 209039 240009 229697 307191 388435 471674 120009 117363 143491 164420 92689 126974 168314 193972 215035 203324 189861 168094 166213 164366 223132 139405 178471 149296 158613 188591 213803 214076 122581 206816 205137 187702 212409 159169 236453 271963 245433 218204 237993 239 241 215097 221921 240381 211894 218032 205684 227332 243370 183452 215550 201802 223201 PE 38:6 397695 474634 414818 487774 428746 395342 431129 392985 640187 618485 826667 173832 280960 316022 379533 226367 273421 340607 422562 427678 404784 388926 217379 306433 255609 405985 228506 259547 170734 299078 275138 342387 278169 216822 413517 403419 373816 412630 261549 289126 568146 474181 427813 476146 280 20 412669 370810 399081 411689 332112 395032 393185 392574 418698 339303 352602 329041 PE 40:0 11628 9622 8724 11803 11196 12549 11839 10688 10220 13069 10880 7487 8131 7340 6470 6107 5318 6846 6536 9332 6895 7638 13174 11659 10744 14870 7004 7884 7327 10799 10631 9438 10099 7770 9839 9043 9794 7444 5889 8433 9731 6695 9053 9589 NA 5 9497 11145 10286 9776 10781 11295 8252 12298 10131 8730 7626 7234 PE 40:5 37596 40860 53781 71328 52179 50782 59076 47537 69735 71762 113957 29228 29898 35147 34844 19503 36944 36795 39803 53438 50289 42362 39683 37480 41914 52840 28391 32906 33359 41963 37173 34440 43534 33624 47593 54700 55829 44161 33397 53130 46674 45963 54608 64015 264 NA 59237 51231 42299 48863 50902 56321 49288 41652 34873 41918 41676 33021 PE 40:6 112574 129035 118277 138463 122526 98995 137517 130848 168181 203897 201328 65726 90483 89105 97003 61841 104160 81444 101477 121778 126283 117822 80210 124244 96520 127523 73477 99811 69303 98279 129691 135713 126882 119534 131525 157575 134257 158338 114815 137263 148037 156178 144118 159355 115 10 138027 141436 140069 138577 173757 142981 129305 138604 144534 132996 103160 105435 PE 40:7 64496 92211 83220 77429 85386 53705 84776 94178 120238 134880 186728 64589 51624 83292 89160 44617 79101 122376 82805 104606 86378 89681 38870 41811 48459 69111 48372 44508 35287 45955 53615 66163 53377 47564 62668 72894 62443 71318 62473 89435 115327 92231 80275 109011 31 44 87142 72669 92619 76133 73820 71594 76788 76470 83713 81666 83900 64169 PE(O-34:0) 18938 22723 19038 28056 25923 26690 18274 19452 21982 25686 25791 20733 17404 13864 16548 14079 12526 13096 12928 18525 14550 16617 24376 27266 16391 29954 18457 16908 15645 22397 18279 27414 14188 11433 12357 17449 14950 13177 12364 12503 11437 11414 15255 15712 37 151 19015 15619 15421 14404 15192 17177 19590 17413 13093 17935 15318 16811 PE(O-34:1) 70579 64335 62585 93817 76584 82041 60305 54718 60555 93614 78938 79708 82931 62760 60392 65264 53168 68321 78901 84283 67653 89621 62325 56962 46514 55162 38374 45323 37618 47437 42405 50271 44988 29389 47232 42038 38075 25911 37102 37571 40423 24746 29131 33528 59 69 66085 54304 47645 52990 62633 57368 58724 60573 60790 50071 58151 54142 PE(O-34:2) 53344 52505 43847 75809 49469 47018 41557 42683 42228 71884 57004 61304 44372 37352 40987 43772 40555 45978 46280 38441 38923 59156 29835 23415 22503 26535 17749 21851 26343 26370 19493 22128 20422 15730 24301 18250 21691 18605 19130 13603 21235 14689 15162 18847 56 NA 35165 33375 40980 35498 35963 34134 37696 44269 39166 35710 38098 45003 PE(O-36:0) 5246 8293 6203 11001 7861 11037 9244 8616 8191 9736 10415 7335 3929 5920 3957 5160 6746 7260 7626 8176 7582 7661 10935 12664 7073 11161 7824 7197 6491 9163 7406 9208 5837 7430 6954 7555 6149 5491 4253 5079 8085 4946 6286 6602 38 33 7878 6893 5260 6655 9013 8351 6404 8433 10468 5046 7568 6623 PE(O-36:1) 75436 83693 68062 87977 84918 81609 80411 67749 61065 81088 65562 79788 75383 53505 49110 58184 54075 56932 83174 61824 63248 57896 98296 92515 73572 106783 65186 71729 56088 89141 80364 88233 52318 55553 60800 58898 48945 50249 45163 42348 55238 48677 49025 58138 62 NA 67271 60213 61110 57600 54255 65454 71723 60698 65611 71647 62774 64728 PE(O-36:2) 146030 137015 114313 151756 130483 136663 122965 99214 107140 143674 116907 133814 122086 103814 98565 106061 105048 105184 103668 112965 94456 128821 120100 130834 119712 158304 92277 110150 106900 141312 105071 121108 88680 74798 102758 112118 95988 74181 74386 78875 83695 71181 89453 114417 308 174 113299 128539 127877 108368 120036 110079 113135 112957 103344 104396 108663 106753 PE(O-36:3) 50905 54727 40136 67769 57549 55539 49501 45905 41550 60142 50489 52408 53160 34043 39830 39191 30855 41130 40176 38481 37205 56740 48400 43020 41093 47498 31465 35346 26666 41046 32264 44598 26504 25580 30784 27519 25568 26647 28312 30451 27736 24210 25615 26516 NA NA 51280 43111 42578 42937 38785 41213 41953 43419 38380 34774 39862 42533 PE(O-36:4) 54920 42469 34662 36844 27665 32711 30974 32393 28181 37528 45647 35493 36993 35833 30049 26639 26138 33661 32570 36265 36434 38154 68709 46400 56669 52185 44704 59606 58278 45865 50985 49262 53109 29755 34776 42072 36168 33943 38245 36378 31901 33382 37803 27196 129 71 39509 38219 48651 40640 44954 42510 50122 41125 52158 51248 39111 43102 PE(O-36:5) 26512 27246 18922 23727 21688 20132 15075 18941 16148 25569 21534 14762 18206 16089 20082 15110 12045 13648 17029 16024 20315 16240 26326 22509 19965 22692 21321 26365 26184 25648 19129 22551 21987 15190 12932 16944 19671 22095 19358 12303 18778 17834 14205 15308 1 64 22951 21089 24536 22453 23983 20751 23094 22854 22673 20579 19492 22134 PE(O-38:0) 23797 30206 25359 32099 33938 27639 32455 27901 38594 38945 38156 18672 22584 23192 25185 18050 20624 24804 29546 33539 28558 29716 19249 22071 17507 27901 17089 14822 13957 18502 18987 24834 16930 14705 22628 20018 21345 20238 20295 20228 27010 21868 18757 20523 NA 77 24081 29050 22518 25699 20664 25205 21276 22427 23661 23380 23215 26087 PE(O-38:1) 47959 64238 61727 66883 78856 70033 76940 52431 55312 66179 49398 50962 61199 51927 39831 47593 41757 51450 43145 50826 47613 43671 57724 74667 47474 67989 42877 46842 31736 43815 41578 59201 42660 37687 43709 51270 43717 41390 32707 32655 38319 38227 40857 46423 9 NA 49728 47238 46387 47236 55097 41661 47942 41866 48372 47901 47022 43863 PE(O-38:2) 79605 108040 126415 111549 97834 102987 101496 77448 82664 97384 81904 91124 90235 75639 55071 67021 66168 68307 76353 67648 65871 70855 63880 97429 57665 86892 57457 54919 49724 66341 55048 71897 47450 50518 66634 69297 53887 49787 57720 58786 59136 49885 49720 62099 3 NA 72558 69817 75587 74141 75616 70354 73398 63824 71319 68088 73794 67358 PE(O-38:3) 41387 46414 45149 50358 53941 51078 52779 37433 41119 46729 39925 38122 40462 33637 25227 37686 29307 33355 31022 37355 27451 33274 71541 82351 60085 81863 52566 59956 44784 65155 58405 61258 54423 37772 45481 47936 51300 43003 35953 48171 34698 36040 38931 40432 200 1 45778 46741 53405 45508 52563 47084 51389 50426 48497 47456 46613 45408 PE(O-38:4) 218099 147098 151419 156423 142078 141331 136995 132293 112123 126821 154779 130865 133210 107881 79033 105657 84424 101439 96157 92475 99970 88017 474434 571384 378959 524025 395457 416454 375816 511305 413803 503763 347654 234950 229661 301966 292563 288823 248199 255298 218000 192492 207580 233929 63 96 295368 278346 286704 269514 300486 277315 262201 254823 246084 278330 246626 251181 PE(O-38:5) 96460 83192 56914 108034 64228 101518 71959 69900 73684 91463 95273 64914 75861 66861 64406 76763 50195 65808 69856 69833 56637 78381 162364 78705 122916 115439 74543 91339 92876 103865 86448 71479 89115 65142 75343 107133 104310 80240 74718 73242 53711 57133 69927 77345 53 68 106203 96187 95965 100188 67182 87377 104942 81769 89113 87186 86194 77859 PE(O-40:5) 106541 143352 101258 137997 159670 114362 135010 102259 115569 120258 126654 96536 111757 96135 82152 77236 64935 78086 79035 100644 77181 75677 273059 263208 222696 282406 169680 175720 159052 239907 150530 229096 145584 144498 151010 171246 140190 137395 132889 152639 127144 106247 124971 124877 113 71 147262 130245 150652 151941 145028 137415 158497 163091 149141 135346 135564 131640 PE(O-40:6) 145127 151034 134277 149442 113699 141230 102354 106336 100761 149198 155156 125060 128386 115793 83968 109731 83544 102389 105264 84869 97109 108346 187961 203828 167446 247064 177472 214408 162799 257114 203038 219451 184410 135063 161910 193720 153757 155023 174450 161415 133184 115661 127401 135486 58 24 153284 135903 158311 152868 160353 137561 161195 135193 163366 143275 133502 148003 PE(O-40:7) 44610 40631 42687 58955 46171 45188 39405 45110 47476 67670 51006 27238 37660 30382 31998 31516 23772 31012 30722 31670 26920 31164 76795 61642 46991 72956 47306 50624 45272 62262 47655 60129 56481 33219 44774 49414 41749 39438 35428 44011 43427 34711 42566 33169 NA 33 49117 43008 43070 47598 44731 49984 44327 51662 43455 44755 41251 46650 PE(P-32:0) 4132 4100 2987 6396 5171 3414 3977 3965 6347 5301 5732 5844 4502 5838 3754 6092 4505 5659 7302 4167 5489 5464 2652 3393 1552 3092 1387 2168 2606 1561 1760 2783 1381 1118 2981 2348 2348 1907 2738 1961 1372 2324 1299 2247 113 51 3891 2953 4012 3752 3603 3013 3302 2746 4981 4369 4049 4037 PE(P-34:0) 49378 41078 41002 57494 49671 58604 41518 39776 42706 68904 56228 49261 44609 39450 39786 41166 40793 49711 58259 44832 52350 57812 42370 33703 28421 31663 26167 35890 27599 31927 23699 36888 23827 20198 29170 24289 22650 19650 20295 19365 21798 22479 22080 28960 44 48 39085 37907 30783 35059 38320 33711 44093 38812 37646 39175 37228 38174 PE(P-34:1) 53344 52505 43847 75809 49469 47018 41557 42683 42228 71884 57004 61304 44372 37352 40987 43772 40555 45978 46280 38441 38923 59156 29835 23415 22503 26535 17749 21851 26343 26370 19493 22128 20422 15730 24301 18250 21691 18605 19130 13603 21235 14689 15162 18847 56 NA 35165 33375 40980 35498 35963 34134 37696 44269 39166 35710 38098 45003 PE(P-34:2) 18747 17510 11722 24926 15995 16679 13348 16023 14983 22129 18548 14264 11904 6171 12663 12177 8033 11534 10144 11489 14302 16170 10392 8092 8021 7864 6659 6875 7806 7701 6932 7063 8417 6337 6484 6658 7078 3362 7013 4345 4276 3819 5265 5799 3 0 7571 10435 10787 10426 9717 9687 11402 11391 11652 12011 8663 12348 PE(P-36:0) 75436 83693 68062 87977 84918 81609 80411 67749 61065 81088 65562 79788 75383 53505 49110 58184 54075 56932 83174 61824 63248 57896 98296 92515 73572 106783 65186 71729 56088 89141 80364 88233 52318 55553 60800 58898 48945 50249 45163 42348 55238 48677 49025 58138 62 NA 67271 60213 61110 57600 54255 65454 71723 60698 65611 71647 62774 64728 PE(P-36:1) 146030 137015 114313 151756 130483 136663 122965 99214 107140 143674 116907 133814 122086 103814 98565 106061 105048 105184 103668 112965 94456 128821 120100 130834 119712 158304 92277 110150 106900 141312 105071 121108 88680 74798 102758 112118 95988 74181 74386 78875 83695 71181 89453 114417 308 174 113299 128539 127877 108368 120036 110079 113135 112957 103344 104396 108663 106753 PE(P-36:2) 50905 54727 40136 67769 57549 55539 49501 45905 41550 60142 50489 52408 53160 34043 39830 39191 30855 41130 40176 38481 37205 56740 48400 43020 41093 47498 31465 35346 26666 41046 32264 44598 26504 25580 30784 27519 25568 26647 28312 30451 27736 24210 25615 26516 NA NA 51280 43111 42578 42937 38785 41213 41953 43419 38380 34774 39862 42533 PE(P-36:3) 53579 42027 34503 36392 27115 32434 30803 32091 28005 37462 45727 35128 36777 35701 29983 26307 25398 33570 32232 35921 35679 38072 68340 46310 56363 51982 44096 59200 56551 45558 50327 47539 51300 29459 34537 41988 36022 33543 37807 33912 31798 32881 36630 27133 73 67 38829 37681 47771 40467 44940 42297 49704 41002 51956 50160 39103 41823 PE(P-36:4) 26223 27205 19027 23729 21607 20142 15024 18913 16099 25053 21420 14726 18459 16063 19999 15114 11864 13639 17029 15904 20298 16220 26257 22401 19500 22372 20922 25859 25987 25625 18993 22507 21933 15021 12788 16725 19729 21854 19495 12256 18720 17794 14165 15279 NA 64 22947 21089 24534 22450 23984 20707 22820 22171 22577 20583 19430 22332 PE(P-38:0) 34033 49634 41799 42162 54432 46105 48727 36750 40883 48425 43565 40497 41605 39163 25787 24858 25136 35858 33878 32814 33924 31719 41154 44917 29220 53682 26496 31620 22072 34846 28217 36076 27409 22545 31458 34666 27926 24450 28197 20139 25756 25894 34531 34122 45 57 35046 34976 29014 26688 38076 34047 35177 36107 36097 32612 38042 33355 PE(P-38:1) 65991 66576 64651 82796 79329 82584 73096 59979 62876 80083 68519 67447 58086 51860 46147 58209 48011 52012 51120 63809 51954 50729 45698 58911 40875 63006 34493 39657 31386 43465 37637 64055 37797 34644 42933 47973 47084 38284 36363 38240 38566 31369 40013 50088 291 70 51909 48870 46305 56213 56899 44625 56555 54639 50013 52704 57013 58672 PE(P-38:2) 35680 39079 32352 36086 41457 40316 39255 30803 35114 41849 33778 31498 31034 31254 19124 27799 21788 25654 29647 24678 25582 24589 57588 62560 50715 68714 40996 52855 40187 50316 50919 54832 44577 31744 32656 45702 37196 31853 34223 36273 25853 25152 35095 33387 68 328 48722 40519 34692 41079 43195 38585 38227 43774 33378 34756 39556 34249 PE(P-38:3) 166590 126134 135752 145557 149214 117484 114405 120850 103281 132365 111385 115508 103338 112277 77205 81235 67612 90369 109494 73904 79237 78471 426235 467954 335514 465988 349181 388682 284845 387216 332204 404216 298249 194749 194015 256537 282732 258675 210281 228257 182527 177935 185066 181479 50 96 245130 219082 235288 211678 225197 221754 227810 237811 209942 200333 236697 188242 PE(P-38:4) 96460 83192 56914 108034 64228 101518 71959 69900 73684 91463 95273 64914 75861 66861 64406 76763 50195 65808 69856 69833 56637 78381 162364 78705 122916 115439 74543 91339 92876 103865 86448 71479 89115 65142 75343 107133 104310 80240 74718 73242 53711 57133 69927 77345 7 57 106203 96187 95965 100188 67182 87377 104942 81769 89113 87186 86194 77859 PE(P-38:5) 185832 153316 160454 232303 108179 167752 112054 106178 108939 141991 180500 159701 204702 143295 126788 148712 132988 142870 139268 153486 137910 183138 221604 146180 151785 149824 122785 162189 139941 210707 142807 163541 187915 117287 131297 131838 129750 114518 126946 117102 112324 85902 110930 112081 40 64 173799 148927 163710 160054 174149 169913 191253 177171 149509 138853 176968 160363 PE(P-38:6) 44946 47236 38464 70619 38965 49500 33570 39285 34023 55065 47264 31364 39127 27255 26512 30109 19524 27092 27692 33349 39811 33907 59493 39513 41433 40566 28619 47083 30063 57482 33425 38293 49313 17392 36547 40249 33384 31549 23497 34009 31061 25501 25465 29382 57 38 38389 44714 43753 38418 35102 43066 47366 44424 35141 40292 40236 36784 PE(P-40:5) 145127 151034 134277 149442 113699 141230 102354 106336 100761 149198 155156 125060 128386 115793 83968 109731 83544 102389 105264 84869 97109 108346 187961 203828 167446 247064 177472 214408 162799 257114 203038 219451 184410 135063 161910 193720 153757 155023 174450 161415 133184 115661 127401 135486 58 24 153284 135903 158311 152868 160353 137561 161195 135193 163366 143275 133502 148003 PE(P-40:6) 44610 40631 42687 58955 46171 45188 39405 45110 47476 67670 51006 27238 37660 30382 31998 31516 23772 31012 30722 31670 26920 31164 76795 61642 46991 72956 47306 50624 45272 62262 47655 60129 56481 33219 44774 49414 41749 39438 35428 44011 43427 34711 42566 33169 NA 33 49117 43008 43070 47598 44731 49984 44327 51662 43455 44755 41251 46650 PE 15:0/18:1(d7) 150403 132031 136162 147958 115590 110000 132882 155683 86824 130874 122428 124734 155020 165930 133624 125309 120953 160805 123437 147405 123433 118739 145169 139661 144049 148098 117581 102882 144315 138086 111058 89493 131760 111277 118099 139508 130981 140714 208043 107748 157361 128130 128847 150196 29 57 356 318 656 258 69 117 642 664 825 338 763 599 PG 15:0/18:1(d7) 1269565 1220721 1048806 1279516 1084486 1050232 993670 1304901 921522 826598 1203417 998331 1207251 1164390 1184360 976610 1011425 1259821 1066212 1180622 1033899 1015110 1111643 923879 1091746 1147286 899668 927884 993197 1070849 1033934 989561 969102 933262 1024609 1053891 1066645 1083070 1921629 1095983 1220762 1073698 1128952 1038484 79 30 865 872 851 878 937 1204 1311 1209 1755 1899 1877 2462 PG 16:0/18:1 29626 39110 41743 49683 47557 58968 37523 31072 57901 52737 63744 39995 33807 64365 44333 39388 43890 34507 72679 58811 94167 65773 60729 79295 98001 60135 60762 107761 73981 80581 93197 124940 116898 62222 74073 129663 104493 81786 91441 74106 31668 66882 69915 65485 22 38 57601 61738 60268 63408 60709 67404 64255 69735 67974 70067 74013 73205 PG 16:1/16:0 1611 2239 3194 2856 2754 3673 2163 1809 3777 2071 3884 2311 2633 7469 5436 2769 2503 2591 10872 6575 14448 9164 4400 5734 10052 3638 7056 12252 6866 5020 10501 8501 14296 5997 8153 9193 7514 7798 8558 6121 3497 7452 5128 4799 17 16 6002 5675 5785 5790 5572 6017 6289 6446 6124 7661 6964 6666 PG 18:0/16:0 1974 2575 2059 1551 2889 3423 2567 2021 4789 2522 4394 1887 2246 2365 1790 1649 1495 1219 2797 2762 3292 2850 6417 8082 6888 6215 4989 9266 5900 7162 6226 11437 8225 4338 4779 9456 8576 4807 5488 6488 1512 2652 5240 4186 58 19 4068 3965 4131 4346 3866 4146 4478 4544 4503 4982 4093 3859 PG 18:1/16:1 2362 2358 2561 2666 2543 2964 2320 1840 2414 2352 2137 2708 2182 3495 2770 2195 2242 1645 3844 3680 5794 3632 3581 3760 5327 2307 4454 4545 3602 3732 4965 3879 5235 2437 2861 3933 4343 4299 3566 2325 2670 2884 2876 3176 45 65 3139 3026 3514 3065 3723 3824 3542 3259 3044 3831 3101 3122 PG 18:1/18:0 10769 12846 12005 16100 13924 19042 12025 9261 20307 12091 19876 15024 11934 10370 9271 8562 11807 8357 14975 12747 17134 13953 34314 41567 39600 39142 27134 44926 25764 36897 37663 62001 44318 25787 30690 66098 49835 29919 35601 31369 12918 25023 31061 29104 26 40 25465 23869 23581 25728 23883 24542 25553 27976 25723 24855 26207 26721 PG 18:1/18:1 3576 4846 6899 4467 4919 5655 4001 4147 7794 4787 6285 16733 5854 17343 7568 6656 15196 11956 12169 11120 15220 10938 14450 21850 28803 13394 21946 39918 23022 19232 28371 28078 29609 16242 17001 33687 28274 23389 24510 18444 7480 17245 18368 15494 13 17 15608 15474 15367 16671 16238 15569 16672 17757 17074 16479 18226 18310 PG 18:2/16:0 19135 25822 24518 40825 28808 39388 22387 20419 39112 28301 41341 19895 14465 24428 19465 14431 23466 13075 25901 21477 32854 25259 66699 97085 112767 75024 70325 124156 65876 92505 102392 118896 106869 71555 97454 131579 109676 88419 93213 81431 45555 99522 78023 70338 30 53 58985 59646 60360 60378 63595 61428 61810 65477 63487 69526 71726 73168 PG 18:2/18:0 25490 24963 23473 36465 31219 43474 23296 20502 39105 23481 36783 15173 15978 12214 14057 12893 19366 11165 21293 17635 21771 19380 74890 103855 113539 87031 67422 118094 62757 98963 94317 143419 93359 63293 91599 166645 128055 88040 103429 86903 48671 94772 80910 79146 35 64 63204 60135 63642 61596 62516 66118 67364 67581 67866 64697 68032 71452 PG 18:2/18:1 3794 4948 7191 4870 4788 5564 4311 5974 7834 6340 7137 8430 3971 7049 5470 3039 7634 5231 5844 5518 6563 5707 16117 23388 32620 14711 21782 36426 19721 22368 32127 29877 25261 18517 23671 37493 31666 25873 26536 21293 15214 26918 19737 17193 38 34 16608 16096 16259 16184 16818 17745 17306 18616 17491 19287 18911 21548 PG 20:4/16:0 3775 4330 5409 5038 3925 7694 2833 2841 5824 3559 5698 2603 2825 1764 2668 2729 4289 1339 3864 2009 3422 2401 9639 11273 18650 10000 13860 24450 10522 9329 15255 15121 15660 5604 5812 11207 8780 14260 9035 7460 5154 10321 7722 6008 31 28 8316 8153 7808 8214 9054 8536 8369 8528 8390 10330 9404 10388 PG 20:4/16:1 2491 2695 1236 2425 2027 1236 2223 2879 1762 2060 4478 1011 536 750 934 529 579 501 663 1370 793 1280 8580 6801 6915 6526 6667 8174 5834 5101 5505 9228 8194 4299 3376 5930 4936 3795 4398 3299 3361 3179 4298 1501 4 55 3677 3455 3008 4238 4244 3940 3915 4408 3810 3657 4250 3678 PI 15:0/18:1(d7) 11368 10765 13245 14076 9859 8221 10737 12458 12100 13305 12304 9686 12980 12431 10351 9283 11438 12200 7939 12781 8202 9782 9752 10480 12471 12693 8258 9001 10239 9110 11149 9471 8585 13093 9041 6965 10842 10204 16614 11816 11719 7999 11753 11515 47 52 68 110 91 113 56 50 213 156 60 120 75 88 PI 32:1 11098 14489 13814 16113 19619 16711 15687 16620 14250 16521 18292 23945 21176 18903 14942 21331 17858 13838 24892 15962 26339 22907 11347 6193 8586 8051 4934 9705 8727 11143 6430 8545 13463 6818 7626 6800 9498 5790 7648 9023 5635 5250 5875 6622 51 525 11556 8052 7948 7423 13811 10319 9563 12860 11045 11829 9665 14122 PI 32:2 34170 43135 34329 43109 55773 34933 39448 28814 36372 35859 38716 65767 56660 82604 73812 139060 54263 67858 120018 91876 164782 113577 15780 13896 18416 15100 13898 14511 16492 21419 18084 23464 26646 26480 36253 22933 26185 11905 26007 24953 15278 16577 14967 17488 126 734 39356 36704 36299 35841 37888 41223 39314 43755 47712 50559 49127 49362 PI 32:3 4629 3648 4992 5319 5499 6732 6070 4966 5989 6729 3161 12482 8644 13247 11676 17384 7607 9924 16486 14788 20333 19995 2278 2552 2556 2384 3027 1681 1661 3813 1902 2551 3071 4389 6443 3907 2776 2524 3141 3267 4190 4181 1515 2516 288 516 4021 5055 4532 5798 3645 7185 5593 5879 6711 7063 8473 6157 PI 34:0 34949 36818 27710 40675 42668 42000 32706 35888 36157 41368 38680 58438 45839 60082 39811 74185 36349 37075 60806 48819 75147 59212 25727 15699 20687 16093 17956 18589 16783 26245 17134 21122 24944 23969 28103 21997 23378 14047 18593 26980 14774 13929 13885 17495 266 482 24785 29849 25363 30434 23428 26130 25276 30553 31895 32479 31798 39885 PI 34:1 318009 350901 347799 464128 498877 471183 359326 294583 353565 396208 369958 639928 506773 687630 476527 842407 482491 437818 740571 584166 878734 646584 239010 180983 196361 222137 136712 179782 157827 254229 175562 209552 229739 204070 274069 216077 231971 120331 253619 193778 141257 175068 151742 228608 417 365 265985 249950 257738 308787 293635 300018 289068 297529 378903 384908 326247 365132 PI 34:1p 7990 11612 10328 11371 11632 15012 10976 10755 12416 12603 11685 37580 17308 22274 16613 24928 24343 22977 17628 15883 18712 19998 6592 5082 4727 5205 6035 5550 4174 7696 4268 4692 5123 6929 9470 4626 5039 3905 6757 5393 5006 5184 3307 6628 388 819 9719 7637 8984 7562 8940 8506 8821 9218 10827 12879 11718 10771 PI 34:2 740841 832437 597806 995483 949307 914811 725239 675099 726602 871784 831520 1032377 841849 1003754 832127 1067195 759509 764556 1033479 831978 1080602 1020019 289753 258849 292161 332971 205139 271288 258585 426863 290504 363804 355888 411330 613123 388403 418869 262790 460942 340643 313500 320197 289861 427063 1681 656 444038 449404 499205 473695 515136 475918 544230 636780 625260 604752 716612 669651 PI 34:3 22076 32316 21751 40416 41490 41681 31461 29809 37389 38250 32464 52444 35802 49010 43875 52874 33294 41482 55501 47545 59054 55812 15705 11674 16468 14483 9824 9383 11144 12562 10613 11176 15225 18875 29870 20017 15650 13910 16318 19261 16401 14693 11783 14740 536 439 19882 18097 18548 22068 17884 21698 20216 25811 25248 24888 24085 24582 PI 36:0 23658 27456 31639 39418 38407 41803 30704 19440 30056 27940 25439 35864 28708 25527 20395 27431 27521 21603 29923 27389 37605 33518 22073 16786 16633 15452 13172 16732 17322 19251 14264 19075 22848 15257 21506 16143 18058 9460 17365 15070 9464 10247 10480 14170 642 1416 16378 19473 14798 18026 17163 17432 18171 21276 20660 20252 20393 21752 PI 36:1 348461 380663 388197 506096 538379 522305 386750 320399 445014 441860 336103 591647 440760 418639 311332 419824 346347 304411 442237 418066 455105 449591 268216 190248 220890 197142 161190 206721 175571 269451 181630 228768 257454 221268 270977 230870 236455 108892 225306 180283 132743 136830 135380 159224 148 725 214762 249815 231814 239286 266791 231314 267581 267932 271645 279765 298528 289105 PI 36:2 1204212 1249124 1245630 1453051 1366182 1629426 1280771 1019408 1192712 1415023 1218047 2003361 1300624 1563775 1088275 1510739 1352341 1225063 1364151 1418085 1717416 1529934 872999 628380 793031 707227 535057 642025 701324 1010326 658179 792441 770566 911258 1072160 865651 943461 486682 886158 756884 594459 614509 630711 836613 816 706 774323 752784 846925 842486 873868 826638 880092 956470 972096 1070660 1019009 974354 PI 36:3 744842 829233 674900 822039 824381 857818 832407 750668 878016 904617 1001993 1320954 893821 1074780 883563 1179651 1013367 1081411 1002121 1016958 915922 1000625 408202 332610 400679 429603 379707 328063 358222 447466 390000 427009 550664 599461 712674 545086 585065 427496 618158 581010 514111 489781 469975 636869 1244 781 621133 581828 588794 608435 573248 577208 658046 695902 636554 657042 729749 717689 PI 36:4 1378138 1430862 1193932 1830815 1745639 1517274 1685150 1373467 1652027 1465152 1816659 981993 1083892 1170044 1071246 986739 784713 988369 1159656 1154514 1245130 1368057 1011029 865728 965017 986141 1069905 892547 815154 928476 826282 891062 1237254 849051 986978 1301181 1238146 1139287 1119432 1179243 1077971 970237 971276 1005668 1186 493 1021860 1169098 1093622 1059435 1146053 1168435 1078375 1239515 1310508 1210907 1183028 1242505 PI 38:1 13789 16245 11743 15785 16612 14786 15832 14798 9659 15339 12923 10858 10800 7905 12812 11914 11837 8013 14400 17566 18990 15318 9277 6311 7115 4655 7381 7024 10075 7705 9319 9041 10593 10490 8938 10233 10299 7793 9819 8106 5308 7620 5862 7282 516 1362 7953 11094 8154 7356 6728 9495 10493 10749 11324 15645 11848 13242 PI 38:2 164261 158502 151168 123813 152669 116484 170121 157493 139401 142194 160281 90096 154278 122039 135786 135593 126557 140570 165715 167116 141654 177655 173418 135317 155389 157276 140267 152100 128638 186511 151669 159760 214670 142320 156450 171267 183342 156666 154736 151526 141569 127788 142725 151695 71 1066 145866 151384 144014 146912 148207 147871 157855 164494 165875 166744 156254 169246 PI 38:3 1971189 1763218 1703571 1498955 1706230 1246594 1925931 1833070 1625050 1686430 1713910 853274 1630290 1211140 1364490 1331372 1173660 1395069 1576007 1510146 1558424 1608759 2437322 1966140 2143832 2170754 2101339 2338670 1910860 2494066 2147156 2150398 2715092 1804269 1961352 2264040 2330184 2225390 2064504 1984085 2093403 1759379 1929020 1944728 3046 507 1771997 1822292 1833924 1839151 1845716 1973358 1944615 2178933 1975688 2111237 2060180 2115085 PI 38:4 8359844 7582938 6400874 6765825 7014447 6305082 7208509 7239029 6784932 7380279 7740930 3180037 4932396 3855384 4181789 3583727 3380714 3990414 4653298 4456999 4829603 4832531 12754918 10704637 10800209 11647050 10474900 11369404 8639953 11690402 9787111 10914467 11821503 7281086 7176301 11050453 10007042 10775169 8401200 9129312 10553099 7489722 8295526 8701627 9257 6090 8097484 8034827 8179110 9271183 8525768 8471731 8889909 9598366 8952606 9075286 8760822 9328839 PI 38:5 838106 859641 961110 864108 939512 814778 935360 945288 845393 984236 964694 1486017 1074585 1193914 1176936 1063758 996605 1397347 1060872 1179868 1028287 1317252 811650 659198 703233 755939 890143 753352 803940 828142 757529 744394 1059781 969656 1158148 1277143 1180058 1156563 992233 1097321 1269898 1025509 1108953 1116673 125 485 947898 932809 971331 1073847 1029036 1021453 1052433 1149095 1058778 1104725 1118504 1132137 PI 38:6 114598 148722 118318 169935 172345 135793 147845 128563 151097 162969 202012 278243 220659 253181 240826 225682 206256 226713 227863 215972 227516 250404 108486 100881 103376 104355 108397 118381 96965 111829 113683 100351 141460 116394 149253 142522 155517 124212 130903 103098 108660 113849 132727 131643 393 518 124533 134770 134449 141783 142294 140498 152182 152144 146163 147561 151237 162161 PI 40:3 20069 20017 18093 16235 18719 15079 21409 19012 20181 18188 21219 11210 15938 14279 17290 14553 15528 18415 16995 17899 15775 19233 13690 15310 17984 16044 16472 12554 13031 16462 16672 16413 18627 14697 14160 14983 17303 14961 15711 17905 13238 12201 16001 14801 315 298 15625 15623 14759 15397 18411 18610 16519 17565 8468 19483 18007 18329 PI 40:4 80890 82717 77074 77427 88723 60723 91664 79148 88319 92224 85021 42220 54265 47492 60984 38973 42716 51459 58102 54823 56834 65029 92652 77071 92851 89551 91417 86174 70104 89666 88079 88444 103634 69698 67782 78643 94719 74823 75335 75465 70910 68239 77135 76654 400 692 65533 74345 69004 72288 70042 75200 79936 77861 74119 78811 77045 83402 PI 40:5 125665 143884 129495 98378 121642 79201 132211 137102 123747 119270 130135 102130 122364 118430 123449 105928 106533 125451 118037 114549 125515 118842 112407 106579 121785 125287 129171 128921 106826 128755 129561 120326 136341 102012 128305 125832 140400 113739 126874 105165 115888 104889 116421 121745 309 542 106432 112701 110636 116612 121438 122075 120528 134938 120145 126741 126944 123758 PI 40:6 247015 252201 231693 217833 259297 183481 248437 301597 205512 273129 287108 266891 328791 308267 311406 247328 271182 286532 288852 278020 331897 282781 212640 198321 216329 222428 205230 245645 198730 249547 235602 237888 252913 233942 273396 254020 275104 234866 238355 181805 205924 199982 227742 240428 108 617 222394 228904 232155 226626 229709 249217 254360 252461 246948 252304 260026 272936 Sa1P d 18:0 2457 1694 1632 1700 1856 1885 2131 1670 1914 1426 1395 3138 4199 2312 3199 2314 3102 4034 2718 2958 2787 3410 7328 4542 6422 4159 7247 6117 4439 4432 6144 2863 6309 3759 2694 6311 7368 9180 4330 3627 3218 4167 4246 3038 46 51 2825 2876 2819 2675 2486 2685 2498 3380 2886 2826 3015 3424 So1P 17:1 28447 28068 17969 30510 27391 35045 21940 27763 20378 25596 23833 33313 35674 27005 29591 21542 37403 32449 22109 24760 23255 27246 25899 18722 23779 21425 28523 17843 24604 23547 30667 15832 17012 23236 16475 20344 20135 28407 30353 17052 18521 28809 19150 17648 1515 670 1096 634 667 552 1384 1837 3329 3446 3305 3936 3325 4144 So1P d 18:1 17869 16523 12539 15903 16953 21686 14746 14425 14401 12291 14462 22367 23475 12406 21846 14487 19266 21570 18895 16967 20818 19776 34279 20856 28521 22042 37397 25352 25414 22277 29187 17264 27584 18526 13715 27406 28808 38131 17679 17690 16829 23494 18607 15697 649 246 19676 19108 17122 15340 14930 14145 16866 17779 18717 18333 18595 18487 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PE 32:0 PE 32:1 PE 32:2 PE 34:1 PE 34:1 NEG PE 34:2 PE 34:3 PE 36:0 PE 36:1 PE 36:1 NEG PE 36:2 PE 36:3 PE 36:4 PE 36:5 PE 38:0 PE 38:1 PE 38:2 PE 38:3 PE 38:4 PE 38:5 PE 38:6 PE 40:0 PE 40:5 PE 40:6 PE 40:7 PE(O-34:0) PE(O-34:1) PE(O-34:2) PE(O-36:0) PE(O-36:1) PE(O-36:2) PE(O-36:3) PE(O-36:4) PE(O-36:5) PE(O-38:0) PE(O-38:1) PE(O-38:2) PE(O-38:3) PE(O-38:4) PE(O-38:5) PE(O-40:5) PE(O-40:6) PE(O-40:7) PE(P-32:0) PE(P-34:0) PE(P-34:1) PE(P-34:2) PE(P-36:0) PE(P-36:1) PE(P-36:2) PE(P-36:3) PE(P-36:4) PE(P-38:0) PE(P-38:1) PE(P-38:2) PE(P-38:3) PE(P-38:4) PE(P-38:5) PE(P-38:6) PE(P-40:5) PE(P-40:6) PE 15:0/18:1(d7) PG 15:0/18:1(d7) PG 16:0/18:1 PG 16:1/16:0 PG 18:0/16:0 PG 18:1/16:1 PG 18:1/18:0 PG 18:1/18:1 PG 18:2/16:0 PG 18:2/18:0 PG 18:2/18:1 PG 20:4/16:0 PG 20:4/16:1 PI 15:0/18:1(d7) PI 32:1 PI 32:2 PI 32:3 PI 34:0 PI 34:1 PI 34:1p PI 34:2 PI 34:3 PI 36:0 PI 36:1 PI 36:2 PI 36:3 PI 36:4 PI 38:1 PI 38:2 PI 38:3 PI 38:4 PI 38:5 PI 38:6 PI 40:3 PI 40:4 PI 40:5 PI 40:6 Sa1P d 18:0 So1P 17:1 So1P d 18:1 METABOLITES_END #END