#METABOLOMICS WORKBENCH juliehaines_20240501_131926 DATATRACK_ID:4808 STUDY_ID:ST003184 ANALYSIS_ID:AN005228 PROJECT_ID:PR001983 VERSION 1 CREATED_ON May 2, 2024, 6:17 pm #PROJECT PR:PROJECT_TITLE A multimodal drug-diet-immunotherapy combination restrains melanoma progression PR:PROJECT_TITLE and metastasis PR:PROJECT_SUMMARY The genetic landscape of cancer cells can lead to specific metabolic PR:PROJECT_SUMMARY dependencies for tumor growth. Dietary interventions represent an attractive PR:PROJECT_SUMMARY strategy to restrict the availability of key nutrients to tumors. In this study, PR:PROJECT_SUMMARY we identified that growth of a subset of melanoma was severely restricted by a PR:PROJECT_SUMMARY rationally designed combination therapy of a stearoyl-CoA desaturase (SCD) PR:PROJECT_SUMMARY inhibitor with an isocaloric low-oleic acid diet. Despite its importance in PR:PROJECT_SUMMARY oncogenesis, SCD underwent monoallelic co-deletion along with PTEN on chromosome PR:PROJECT_SUMMARY 10q in about 47.5% of melanoma, and the other SCD allele was methylated, PR:PROJECT_SUMMARY resulting in very low SCD expression. While this SCD deficient subset was PR:PROJECT_SUMMARY refractory to SCD inhibitors, the subset of PTEN wildtype melanoma that retained PR:PROJECT_SUMMARY SCD was sensitive. As dietary oleic acid could potentially blunt the effect of PR:PROJECT_SUMMARY SCD inhibitors, a low-oleic acid custom diet was combined with SCD inhibitor. PR:PROJECT_SUMMARY The combination reduced monounsaturated fatty acids and increased saturated PR:PROJECT_SUMMARY fatty acids, inducing robust apoptosis and growth suppression and inhibiting PR:PROJECT_SUMMARY lung metastasis with minimal toxicity in preclinical mouse models of PTEN PR:PROJECT_SUMMARY wildtype melanoma. When combined with anti-PD1 immunotherapy, the SCD inhibitor PR:PROJECT_SUMMARY improved T cell functionality and further constrained melanoma growth in mice. PR:PROJECT_SUMMARY Collectively, these results suggest that optimizing SCD inhibitors with diets PR:PROJECT_SUMMARY low in oleic acid may offer a viable and efficacious therapeutic approach for PR:PROJECT_SUMMARY improving melanoma treatment. PR:INSTITUTE University of Colorado Anschutz Medical Campus PR:LABORATORY Lab of Angelo D'Alessandro in collaboration with lab of Biplab Dasgupta PR:LAST_NAME Haines PR:FIRST_NAME Julie PR:ADDRESS 12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA PR:EMAIL julie.haines@cuanschutz.edu PR:PHONE 3037243339 #STUDY ST:STUDY_TITLE A multimodal drug-diet-immunotherapy combination restrains melanoma progression ST:STUDY_TITLE and metastasis - tumor lipidomics ST:STUDY_SUMMARY Lipidomics profiling of immunocompetent B16F10 model of melanoma to examine ST:STUDY_SUMMARY lipid levels in tumors following reduced oleic acid content in diet combined ST:STUDY_SUMMARY with the stearyl CoA desaturase inhibitor CAY10566. ST:INSTITUTE University of Colorado Anschutz Medical Campus ST:LAST_NAME Haines ST:FIRST_NAME Julie ST:ADDRESS 12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA ST:EMAIL julie.haines@cuanschutz.edu ST:PHONE 3037243339 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:GENDER Not applicable #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 - DS2-039-001 factor:Vehicle+ low oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-001 SUBJECT_SAMPLE_FACTORS - DS2-039-002 factor:Vehicle+ low oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-002 SUBJECT_SAMPLE_FACTORS - DS2-039-003 factor:Vehicle+ low oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-003 SUBJECT_SAMPLE_FACTORS - DS2-039-004 factor:Vehicle+ low oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-004 SUBJECT_SAMPLE_FACTORS - DS2-039-005 factor:Vehicle+ low oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-005 SUBJECT_SAMPLE_FACTORS - DS2-039-006 factor:SCD inhibitor + low oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-006 SUBJECT_SAMPLE_FACTORS - DS2-039-007 factor:SCD inhibitor + low oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-007 SUBJECT_SAMPLE_FACTORS - DS2-039-008 factor:SCD inhibitor + low oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-008 SUBJECT_SAMPLE_FACTORS - DS2-039-009 factor:SCD inhibitor + low oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-009 SUBJECT_SAMPLE_FACTORS - DS2-039-010 factor:SCD inhibitor + low oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-010 SUBJECT_SAMPLE_FACTORS - DS2-039-011 factor:Vehicle + high oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-011 SUBJECT_SAMPLE_FACTORS - DS2-039-012 factor:Vehicle + high oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-012 SUBJECT_SAMPLE_FACTORS - DS2-039-013 factor:Vehicle + high oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-013 SUBJECT_SAMPLE_FACTORS - DS2-039-014 factor:Vehicle + high oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-014 SUBJECT_SAMPLE_FACTORS - DS2-039-015 factor:Vehicle + high oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-015 SUBJECT_SAMPLE_FACTORS - DS2-039-016 factor:SCD inhibitor + high oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-016 SUBJECT_SAMPLE_FACTORS - DS2-039-017 factor:SCD inhibitor + high oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-017 SUBJECT_SAMPLE_FACTORS - DS2-039-018 factor:SCD inhibitor + high oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-018 SUBJECT_SAMPLE_FACTORS - DS2-039-019 factor:SCD inhibitor + high oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-019 SUBJECT_SAMPLE_FACTORS - DS2-039-020 factor:SCD inhibitor + high oleic acid diet | Sample source:tumor RAW_FILE_NAME(raw file name)=DS2-039-020 #COLLECTION CO:COLLECTION_SUMMARY For immune checkpoint inhibitor (ICI) studies, 1x10^6 B16F10 cells were mixed CO:COLLECTION_SUMMARY with matrigel 1:1 and implanted subcutaneously in each flank into C57BL/6 mice. CO:COLLECTION_SUMMARY Mice were randomized into groups with combinations of sunflower or coconut oil CO:COLLECTION_SUMMARY diet, vehicle or CAY10566, and IgG or anti-PD1 treatments. CAY10566 was prepared CO:COLLECTION_SUMMARY and administered as previously described. IgG and anti-PD1 were diluted in PBS CO:COLLECTION_SUMMARY to a concentration of 1ug/uL. 100uL of IgG or anti-PD1 were administered CO:COLLECTION_SUMMARY intraperitoneally twice weekly, every 3-4 days. Mice were euthanized and tumors CO:COLLECTION_SUMMARY were harvested 17 days after tumor implantation/14 days after the start of CO:COLLECTION_SUMMARY treatment. Tumor tissues were processed for flow cytometry analysis. For lung CO:COLLECTION_SUMMARY metastasis studies, ZsGreen expressing B16F10 cells were established by CO:COLLECTION_SUMMARY transducing them with concentrated ZsGreen virus produced by the Viral Vector CO:COLLECTION_SUMMARY Core at CCHMC. Cells were then FACS sorted to obtain a pure population of CO:COLLECTION_SUMMARY B16F10-ZsGreen cells prior to injection. 2x10^5 B16F10-ZsGreen cells were CO:COLLECTION_SUMMARY injected via tail vein into C57BL/6 mice by trained veterinary staff of CCHMC. CO:COLLECTION_SUMMARY Mice were randomized into groups with combinations of sunflower or coconut oil CO:COLLECTION_SUMMARY diet, and vehicle or CAY10566. CAY10566 was prepared and administered as CO:COLLECTION_SUMMARY previously described. Mice were euthanized and lungs were harvested 17 days CO:COLLECTION_SUMMARY after tumor cell injection/14 days after the start of treatment. B16F10-ZsGreen CO:COLLECTION_SUMMARY metastatic tumor nodes were detected by fluorescence microscopy, and CO:COLLECTION_SUMMARY quantification was performed using Image J. CO:SAMPLE_TYPE Tumor cells #TREATMENT TR:TREATMENT_SUMMARY All animal procedures were carried out in accordance with the IACUC-approved TR:TREATMENT_SUMMARY protocol of Cincinnati Children’s Hospital Medical Center. Animals were TR:TREATMENT_SUMMARY monitored daily by Veterinary Services. For subcutaneous tumor implantation, TR:TREATMENT_SUMMARY 1x10^6 B16F10 cells were mixed with matrigel 1:1 and implanted subcutaneously TR:TREATMENT_SUMMARY into NOD-SCID IL2Rgnull or C57BL/6 mice, respectively. CAY10566 was suspended in TR:TREATMENT_SUMMARY 0.5% Methyl Cellulose in water with 0.2% Tween 80 at 9 parts per 1 part DMSO TR:TREATMENT_SUMMARY stock. CAY10566 was administered at 30mg/kg via oral gavage, twice daily, with a TR:TREATMENT_SUMMARY drug holiday during the weekends. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For tumor analysis, tissue was weighed and placed into 1.5mL Eppendorf Safe-Lock SP:SAMPLEPREP_SUMMARY tubes that were pre-filled with 1.0mm glass grinder beads (Biospec Products SP:SAMPLEPREP_SUMMARY Inc). Cold methanol was then added to each tube so that all final tissue SP:SAMPLEPREP_SUMMARY concentrations were 20 mg/mL. Samples were then homogenized via a “Next SP:SAMPLEPREP_SUMMARY Advance” Bullet Blender for 5 minutes and subsequently vortexed for 30 SP:SAMPLEPREP_SUMMARY minutes. Following vortex, insoluble material was pelleted by centrifugation SP:SAMPLEPREP_SUMMARY (18000g, 10 min) and supernatants were isolated for analysis by UHPLC-MS. SP:PROCESSING_STORAGE_CONDITIONS 4℃ SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Negative C18 global lipidomics CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Kinetex C18 (30 x 2.1mm,1.7um) CH:SOLVENT_A 75% water/25% acetonitrile; 5 mM ammonium acetate CH:SOLVENT_B 90% isopropanol/10% acetonitrile; 5 mM ammonium acetate CH:FLOW_GRADIENT 0-3 min 10-95% B at 0.3 mL/min, 3-4.2 min hold at 95% B at 0.3 mL/min, 4.2-4.3 CH:FLOW_GRADIENT min drop to 10% B at 0.45 mL/min, 4.3-4.9 min hold at 10%B while lowering flow CH:FLOW_GRADIENT rate to 0.4 mL/min, 4.9-5 min hold at 10%B while lowering flow rate to 0.3 CH:FLOW_GRADIENT mL/min. CH:FLOW_RATE 0.3-0.4 ml/min CH:COLUMN_TEMPERATURE 45 CH:SAMPLE_INJECTION 10 uL #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The Q Exactive was run independently in positive and negative ion mode, scanning MS:MS_COMMENTS using full MS from 125-1500 m/z at 70,000 resolution and top 10 data-dependent MS:MS_COMMENTS MS2 at 17,500 resolution. Electrospray ionization was achieved with 45 Arb MS:MS_COMMENTS sheath gas, 25 Arb auxiliary gas, and 4 kV spray voltage. Calibration was MS:MS_COMMENTS performed prior to the run using the PierceTM Positive and Negative Ion MS:MS_COMMENTS Calibration Solutions (Thermo Fisher Scientific). Run order of samples was MS:MS_COMMENTS randomized and technical replicates were injected after every 4 samples to MS:MS_COMMENTS assess quality control. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples DS2-039-001 DS2-039-002 DS2-039-003 DS2-039-004 DS2-039-005 DS2-039-006 DS2-039-007 DS2-039-008 DS2-039-009 DS2-039-010 DS2-039-011 DS2-039-012 DS2-039-013 DS2-039-014 DS2-039-015 DS2-039-016 DS2-039-017 DS2-039-018 DS2-039-019 DS2-039-020 Factors factor:Vehicle+ low oleic acid diet | Sample source:tumor factor:Vehicle+ low oleic acid diet | Sample source:tumor factor:Vehicle+ low oleic acid diet | Sample source:tumor factor:Vehicle+ low oleic acid diet | Sample source:tumor factor:Vehicle+ low oleic acid diet | Sample source:tumor factor:SCD inhibitor + low oleic acid diet | Sample source:tumor factor:SCD inhibitor + low oleic acid diet | Sample source:tumor factor:SCD inhibitor + low oleic acid diet | Sample source:tumor factor:SCD inhibitor + low oleic acid diet | Sample source:tumor factor:SCD inhibitor + low oleic acid diet | Sample source:tumor factor:Vehicle + high oleic acid diet | Sample source:tumor factor:Vehicle + high oleic acid diet | Sample source:tumor factor:Vehicle + high oleic acid diet | Sample source:tumor factor:Vehicle + high oleic acid diet | Sample source:tumor factor:Vehicle + high oleic acid diet | Sample source:tumor factor:SCD inhibitor + high oleic acid diet | Sample source:tumor factor:SCD inhibitor + high oleic acid diet | Sample source:tumor factor:SCD inhibitor + high oleic acid diet | Sample source:tumor factor:SCD inhibitor + high oleic acid diet | Sample source:tumor factor:SCD inhibitor + high oleic acid diet | Sample source:tumor Cer(d19:0_16:0) 216238 295140 701603 284235 229564 156097 124289 115269 363045 158059 240634 877155 399223 398570 258675 361699 177431 133184 400764 171308 CL(16:0_16:0_18:1_18:1) 71411 47860 43224 61617 60649 19526 20268 15596 15459 14130 43084 18239 22428 38126 33311 18912 26501 17113 15862 15748 CL(16:0_16:1_18:1_18:1) 48854 49036 47575 55942 55051 29739 26667 19562 21935 18470 43638 15801 19055 163 31143 22730 35232 18895 13155 13334 CL(16:0_16:1_18:1_18:2) 60225 73763 77206 107260 65456 19826 24740 22856 25276 22399 55651 26349 25110 70393 44601 18701 30562 17967 13891 13190 CL(16:0_18:0_18:1_18:2) 89926 88332 409 93297 59043 27673 31736 27719 24381 20164 143 31363 50231 64767 27858 28725 42986 25824 19931 20403 CL(16:0_18:0_18:2_18:2) 157554 155553 139113 170926 133266 48370 57152 41649 49348 45539 132484 62812 71002 120994 93942 43012 63440 43866 29744 31779 CL(16:0_18:2_18:2_18:2) 133868 225309 151292 208677 180791 51334 48771 47749 52323 56176 160593 95247 92878 190165 123976 41804 231 39688 37825 32619 CL(16:1_16:1_18:1_18:2) 55361 71641 83879 71918 46121 16448 17658 20313 13543 14474 39764 27858 25574 62929 68827 20586 26809 12307 10898 10288 CL(16:1_18:1_18:1_18:2) 167591 228812 207473 222069 170748 59377 64328 46612 57958 54094 180995 81569 84602 188940 143909 54426 82916 52862 39607 37540 CL(16:1_18:2_18:2_18:2) 59774 58729 51101 54171 42786 21668 17106 24719 23005 25813 35735 50452 42307 57765 58193 17850 22880 15517 18878 14096 CL(18:0_18:1_18:2_18:2)-2H 11963 24030 9984 14718 9807 4791 5280 3405 3592 2792 19960 11534 14744 11129 15813 3857 5812 6102 4266 4917 CL(18:0_18:2_18:2_20:2) 47957 59415 32828 45471 29826 31410 45078 39058 29756 28609 36275 38294 48055 64394 38542 45642 34180 42111 24316 28667 CL(18:1_18:1_18:2_18:2) 312874 381850 292779 295965 232539 180091 1924 154261 170737 112339 247748 270921 252611 311546 288097 211982 270956 122148 167623 116112 CL(18:1_18:1_18:2_18:2)-2H 41672 31160 21153 24867 19485 12089 10213 10932 10260 8349 19279 20157 18535 21786 26710 14138 20595 10087 10164 11096 CL(18:1_18:1_18:2_20:3) 88775 97785 90096 87539 70853 92841 93279 102822 77500 79279 77369 90415 87152 115502 94290 90245 107164 71477 73852 76490 CL(18:1_18:1_18:2_20:4) 122164 126929 94857 120898 86426 171998 143327 185761 168609 106459 92317 117638 122134 128951 116312 178489 209252 137799 120066 120250 CL(18:1_18:2_18:2_18:2)-2H 16371 18619 12791 16732 13562 25695 18108 17882 19074 10833 13835 15930 16755 17908 17165 25975 30942 14806 14599 19729 CL(18:1_18:2_18:2_20:4) 84961 120780 72575 102146 114455 179806 190249 174209 197472 171753 90840 87794 84710 125258 111616 187544 216808 159519 129702 121445 CL(18:2_18:2_18:2_18:2) 105209 112131 79642 110535 110018 283022 285939 332339 293200 249689 82167 126201 95825 108378 113049 325263 298745 209841 202231 177303 CL(18:2_18:2_18:2_20:4) 28642 40893 30409 40148 29297 154652 154007 140985 215878 158973 28931 42276 38031 48287 47547 178745 164950 112165 88360 75803 CL(18:2_18:2_20:4_20:4) 7542 4317 2619 4126 4047 25270 26660 29991 32635 27003 5190 2403 8026 5693 10192 21201 24909 21715 14330 16263 CL(20:3_18:2_18:2_20:4) 12257 11245 6373 9035 8834 35363 34450 42649 36196 29358 9261 9238 11245 11740 15370 31797 31327 28603 18865 18094 CL(38:7_18:2_18:2) 5894 7351 4861 5048 4207 24555 21921 27372 40491 25359 3770 3679 5585 7175 6956 27235 34151 23124 21392 16591 FA(13:0) 221495 195849 234567 198934 230420 214443 222142 239117 245880 240782 250036 226188 223349 253827 226854 211308 258797 212871 245332 203776 FA(14:0) 982673 723917 976169 855205 832639 720742 743177 718261 1705753 678796 558875 1603049 843736 788866 774270 1047528 919735 482413 717116 538074 FA(14:1) 48270 44835 158996 78216 81889 20548 15846 21758 81770 33599 48034 170850 56934 74247 65113 63609 30936 23813 45543 25023 FA(15:0) 85698 97324 120319 111778 115607 90543 110427 132299 121243 117985 121433 196650 149849 122813 124617 86101 134242 82454 128908 112478 FA(17:0) 145951 121150 214445 118620 151731 112896 110811 166962 231865 114359 116837 577147 332574 134891 170248 144681 166991 88230 111885 118057 FA(17:1) 100329 67327 112198 70592 77423 32071 26147 37707 74543 27329 58996 212352 133202 58649 84185 41156 45935 18940 30891 30622 FA(19:0) 31962 26874 69321 28448 31350 21720 19819 31504 32394 18754 22695 124816 101338 26055 34543 22394 32999 16577 21187 22445 FA(19:1) 58655 52254 70210 43284 49299 32025 25474 32953 53219 21746 34778 213793 121910 39296 57134 31059 33544 20381 24743 27086 FA(19:2) 8503 11016 9875 11503 11442 7945 6049 10074 11038 6016 8108 25760 12763 7212 8267 6657 6746 3476 4704 4788 FA(20:0) 305538 383972 777642 319175 294398 410907 394733 535390 957648 330534 199498 1243234 614225 361752 362754 915920 638305 357860 408549 299497 FA(20:1) 882402 1144970 1635529 894428 784807 304395 238667 362204 729653 248472 573032 3454973 1535709 783092 975173 563745 531008 255355 324946 327401 FA(20:2) 631422 741932 955857 631923 748335 501388 461971 643934 734261 278475 362367 3171942 1122284 524145 675834 498694 506304 284196 413981 488751 FA(20:3) 967965 1496149 2885650 1443615 1288371 1183676 1456172 1545010 4555063 1085512 874193 4729129 1827539 1061948 1182192 2248272 1617869 1000389 1101110 843892 FA(20:4) 4135767 3181885 5683939 3811356 3760336 3680846 4064533 3270886 8124577 2834987 3127761 12673418 5310086 3336138 4689506 4099233 3204138 2528104 2995147 2641139 FA(20:5) 283301 278086 702392 288486 329635 368147 472996 607594 1941715 543919 194430 1064998 342168 247414 279861 935897 575577 374256 590014 355763 FA(21:0) 7365 7561 12921 5261 5479 6795 5037 7324 9079 6087 6168 15866 34079 7649 7155 5263 8877 5821 6593 6212 FA(21:5) 8911 4648 5580 3546 4994 3808 2656 8439 11966 3277 3990 24927 10476 5033 6710 4790 4733 3605 5288 4823 FA(22:0) 179334 231875 810447 202466 148165 140330 140158 151679 343385 130559 134591 975047 345888 192999 197215 337292 180252 144496 190065 123530 FA(22:1) 164029 167939 412360 186821 172875 77881 62755 90474 233254 77364 109998 660697 324370 150111 183555 125035 81582 69616 89467 86996 FA(22:2) 67052 53583 105829 64668 100290 39835 18425 55625 49501 18207 35376 245147 106235 49596 70603 31822 28125 27568 34317 58559 FA(22:3) 138159 98718 216932 121369 114074 43614 29838 56250 101510 27056 73860 439011 157791 99379 116510 18306 23561 36252 22882 49457 FA(22:4) 679868 320774 453597 430377 626975 347290 232939 334768 580141 221937 342914 2294228 701386 267946 699078 301167 221926 204925 258585 349855 FA(22:5) 654150 428616 876393 466978 695507 621709 522175 905040 1666940 505550 348302 2862127 878227 321834 635532 667030 533956 431621 590217 627385 FA(22:6) 1677491 1177795 2715208 1331656 1878048 1554264 1548238 2338364 4098043 1401461 1018382 8037621 3594799 1240214 1934581 1888128 1585531 1160120 1864002 1558001 FA(23:0) 6872 6535 16889 6278 7836 5506 2837 7950 5456 7464 8400 26022 21525 6236 6847 5741 6008 5706 9006 6281 FA(24:0) 193154 205231 660140 257559 225823 133056 134364 214635 336118 163528 151233 993831 457658 208284 254034 221701 151887 144445 287151 139068 FA(24:1) 206006 169467 428039 239179 250026 56240 21409 59392 65829 37300 151613 945566 330811 143113 234975 49361 35751 59091 92998 91047 FA(24:2) 46275 26070 54377 46666 82359 26722 7965 32989 19119 12033 25239 188825 72169 26610 43825 10932 11179 20122 29957 44130 FA(24:3) 15022 8033 17499 13177 15492 5646 2567 6372 6743 2739 7779 39188 17532 7549 12709 3604 3266 3960 3978 6237 FA(24:4) 37635 11481 21812 23617 56207 20140 10294 16550 17983 11098 19741 93411 43717 10392 47528 9953 9811 11683 13412 26239 FA(24:5) 27183 9732 17668 15283 32277 18768 10531 22275 25041 11891 11506 92201 38035 8668 22023 11393 13414 12606 15086 21946 FA(24:6) 28477 11933 22414 15291 31954 35113 24165 42423 75431 21159 11616 105078 49264 13186 18501 27739 24783 27086 25981 39316 FA(26:0) 17066 15003 22444 18410 20726 18826 12430 29105 28727 19439 13687 57445 52355 17096 18554 20820 20456 20923 29594 19569 FA(26:1) 10297 4892 12448 13735 17583 2266 922 5830 2497 2021 4976 30172 27135 7819 13682 1511 2403 5273 7216 6843 Hex1Cer(d16:0_24:1) 31850 56439 27716 33940 22278 56463 62706 46689 43597 37497 27371 20114 15019 28987 29096 47821 46749 36017 43654 33603 Hex1Cer(d42:1) 100246 96432 56703 84633 74044 96016 129909 80795 64709 70071 98059 52812 65387 69717 74902 59614 80756 67277 72545 80017 Hex1Cer(d42:2) 27045 36456 11731 27942 27870 9237 7814 6646 3658 4754 27208 17046 17266 21286 24508 4935 6259 5436 8008 10148 LPA(14:0) 171 269 174 100 49 2652 3332 9802 17265 9034 175 207 374 297 184 8656 7280 4163 8392 3247 LPA(16:0) 27128 19829 40956 19517 29699 119919 144890 325974 102653 271040 17884 101712 54503 20137 31969 341012 302313 173102 340466 135624 LPA(18:0) 1813 6596 2024 2489 1655 85785 107603 317026 522654 196147 3356 5420 10321 6537 4465 244226 217138 133481 232425 91556 LPC(19:1) 164430 210694 220521 191133 164351 67204 85891 73988 143583 69894 181502 354030 199561 210162 202009 154019 174276 87193 105693 99025 LPC(19:2) 42257 45862 64446 37943 41956 114380 116152 147454 156533 112065 34364 112189 69007 48373 50069 110650 138770 63793 77579 78500 LPC(19:3) 2867 2561 5920 3061 2396 7954 9490 10358 23234 16760 2687 3551 2311 4365 3767 14762 16562 6481 8031 8280 LPC(21:0) 16038 22858 34699 18393 17743 27982 33038 43028 33637 34044 14045 62021 25184 26734 23700 33244 32207 29803 36997 26968 LPC(21:1) 20678 21026 36284 24487 18142 5057 6314 6841 6229 6299 24133 60128 24038 26003 27886 8721 9797 6077 10052 8511 LPC(21:2) 9245 9927 14661 9994 10254 8379 8124 9759 8241 5982 8951 34713 13594 13856 12251 7194 9584 2933 7734 9985 LPC(21:4) 45104 33845 66557 42252 18483 60980 61944 49305 83797 61013 41531 123537 52209 57319 59853 58078 61883 33431 47286 70595 LPC(23:0) 15994 14790 17846 17824 15559 21655 21686 33119 22664 25654 14504 30172 14406 19591 20344 22142 20067 25405 30365 21472 LPC(23:6) 27175 23840 74316 25157 21148 42273 40022 49428 49749 30784 24629 162997 71019 33459 42348 31286 38484 26457 33104 36179 LPC(25:0) 18108 19475 19149 26439 23689 25098 24686 38741 17105 35671 19378 39427 22062 25260 25264 23379 20603 33049 41122 31391 LPC(O-17:0) 26211 17904 17918 20046 45159 57442 39894 41059 35873 22811 23571 20898 14743 18864 19858 31470 33185 28075 46211 35355 LPC(O-17:1) 13110 18098 46688 17799 16197 27802 34024 27395 50777 28431 15587 33194 13788 29910 21336 46334 23274 19396 41715 19388 LPC(O-19:0) 6900 4858 5681 6938 8061 21297 13437 18565 13492 9902 4246 5027 4152 6523 5366 13466 11154 10174 22503 10475 LPC(O-19:1) 21147 14080 18563 21856 30196 15236 9876 11276 9570 6254 22571 32645 20406 19176 28746 12437 9397 10436 25330 17586 LPE(O-16:1) 332844 491977 394625 372275 400005 611407 681714 546693 1048681 565175 346870 414768 277604 379008 356819 712067 808513 461691 596162 492794 LPE(O-18:1) 222664 295678 197956 243561 243941 483065 476902 503585 717648 404088 188584 415731 212992 206184 265908 552157 607200 361508 514157 356313 LPE(O-18:2) 181310 230771 204358 217117 165318 44431 41775 38772 55019 32580 201230 285282 235798 233319 232722 56924 74247 37955 56339 78060 LPE(O-18:3) 6141 5029 3987 6220 6872 6016 5035 5910 4856 4416 6276 12744 12268 8884 10311 3713 5933 3482 4865 8647 LPE(O-20:1) 7320 6467 5286 5747 7681 9157 8201 10017 10360 8774 4650 8317 7087 5011 7065 9082 11176 7565 9962 9031 LPE(O-26:7) 56531 39273 54780 43890 51113 53900 37514 37230 44534 54641 53690 38048 39924 64601 24138 69749 43418 55258 33959 38331 LPG(20:1) 9625 14434 6551 10063 7901 8378 9152 6175 16746 8157 7421 4996 3541 9544 6644 10810 11195 7660 7072 4865 LPI(16:0) 31487 48722 25109 38999 31698 68463 99760 95951 93933 65572 31806 33651 36483 35879 43599 78618 111306 49372 54043 34153 LPI(18:0) 317699 328136 167495 334109 364159 903295 955124 841566 735808 483218 352531 332605 422231 266753 423089 540624 875911 436797 420762 316888 LPI(18:1) 60882 121180 59981 82999 59643 22600 25001 31828 32453 17101 84435 74408 71126 73745 92547 47344 56462 26822 21992 21844 LPI(18:2) 5367 14720 9784 8997 7920 16399 16562 15094 12935 9267 6801 17350 14380 9163 12458 15531 11432 9724 12750 9176 LPI(20:0) 2696 5457 1097 3602 2439 8542 12568 10326 14214 6553 3213 4035 6944 4660 6474 8052 11490 5780 5558 3952 LPI(20:4) 61602 63279 39898 54342 50892 54536 55356 43756 54903 23916 39760 46406 47819 28841 64359 36431 44729 38176 27710 24906 PA(14:0_16:0) 4621 7113 2038 5027 4251 30421 36819 64709 92208 68589 2465 1886 4329 3945 4050 60027 60013 52604 65138 29004 PA(16:0_16:0) 23033 41975 13757 23409 22177 237341 298122 309665 640824 415191 20599 13552 31974 35508 28442 440333 444128 472388 525770 208206 PA(16:0_18:0) 9727 10646 5603 7235 4631 75923 109453 152785 218426 122044 7674 8325 15698 14545 10009 124684 107945 146264 141567 67244 PA(16:0_18:2) 11047 15015 9947 10503 11227 25549 29904 26362 27947 34780 8383 5969 12427 9840 9321 26930 24066 25179 27841 18044 PA(18:0_18:2) 12510 18118 15752 8001 9832 15692 16737 23082 15444 24305 5140 10556 10492 11629 7482 21613 20341 20066 22779 16113 PA(20:4_16:0) 10664 8621 7568 9602 7627 11955 14786 12658 15287 20720 5448 3596 8550 6033 6840 12779 13610 14090 17606 14046 PA(O-20:2_12:0) 19208 14035 35843 17820 22273 15729 22557 15824 44182 11435 14029 100448 30616 14509 26032 19096 10826 9540 13212 11618 PC(14:0_15:0) 72751 50777 33344 80006 56191 38103 29859 44499 38475 40931 37083 40807 49904 60345 62878 32723 27106 26204 24609 23068 PC(14:0_16:0) 55904 32767 49328 65554 58228 23251 21438 24611 44990 36582 61898 32562 32223 43101 46157 28846 32991 27708 27047 25586 PC(14:0_17:0) 444730 391701 313255 554776 512663 263001 252353 238198 263896 276396 376534 315697 314432 478599 437939 259705 234842 201648 189409 208166 PC(15:0_16:1) 186229 81678 31354 223522 195343 46532 17900 49408 110824 121311 75110 117639 107623 186890 160022 109700 30777 41747 79175 71468 PC(16:0_16:1) 33611 38609 40365 37876 39069 12740 18374 17695 19595 22894 39737 23340 24256 57466 31113 20900 18405 13504 20035 21234 PC(16:0_17:0) 790716 440799 586300 563021 686319 580513 570970 541599 524382 735156 667527 556857 512996 590461 591290 429048 461229 554110 499129 771316 PC(16:0_18:1) 156559 170278 167849 141970 188246 107785 119395 117936 62091 83786 179671 134381 155609 205523 121219 88443 110860 141636 124151 132184 PC(16:0_18:2) 39994 61233 43961 39840 46762 82580 72999 68979 73309 62516 40922 34733 39976 42002 34074 67141 65763 53738 55780 57146 PC(16:0_19:0) 131567 99782 191234 119119 164604 323640 279547 347145 334722 386366 159653 168819 158929 141836 137328 229866 235643 293916 252581 371971 PC(16:0_20:3) 19700 15946 12439 19640 8733 12708 20750 13020 17503 16004 8379 17326 17946 8942 11248 20178 12941 9109 17257 11800 PC(17:0_18:1) 3391861 3957828 3951058 3745121 3690516 1937026 2568906 1868581 2648874 2465142 4135753 3113835 2964894 3676311 3418282 3534787 3525616 3147357 3115541 2723258 PC(17:0_18:2) 2151876 2176157 2594771 2163740 2120443 3738272 3544198 4083712 3861320 3672997 2014517 2377791 2356317 2224856 2144778 3146300 3504833 2743749 3286152 2805508 PC(17:0_20:4) 1064911 597222 878213 769972 829666 1045831 945189 828855 885481 1001716 909201 993598 931455 880236 945355 660389 548089 796109 735084 967280 PC(17:1_16:1) 3747994 4282112 4262597 3624369 3696267 1937480 2460968 1713275 1808951 1604843 4144136 3611438 2430179 3624648 3293347 2370594 2111974 2089150 2146457 1913004 PC(17:1_18:2) 552265 641211 564020 646801 530034 489685 664887 473263 965551 862091 608906 537927 460561 543904 515302 726598 666824 550376 894730 486219 PC(17:1_20:4) 641886 404291 301369 497263 582845 708426 1137689 484500 1060337 825588 880409 520185 519086 457017 580935 823604 875648 551032 643226 670887 PC(17:2_18:2) 760497 848803 676261 811458 778727 1318605 1781077 1192034 1234385 1196343 778212 749083 563505 633678 539559 1186523 1122564 990356 933113 848613 PC(18:0_18:0) 9237 941 5291 1602 14336 20714 24888 11459 1151 11194 20479 2021 13635 1711 10997 2000 11801 3429 6905 11558 PC(18:0_18:2) 76622 58594 73286 39148 63976 54920 56871 68990 38595 41018 49986 81193 69660 42636 69498 40220 47797 40423 55012 54364 PC(18:0_23:6) 130882 98006 125279 94778 106872 156114 161542 239880 119038 151402 110962 227938 185397 106543 123002 119565 107634 117715 150221 155098 PC(18:1_19:1) 1005799 957953 1292183 1061348 1084419 1123727 1105022 1395860 991365 1080356 1019050 1298556 1164911 1052666 1111438 987219 1120607 940757 1126660 1130238 PC(18:1_21:4) 371463 281688 406877 340908 321667 360174 369215 407036 338469 325519 406291 480932 345461 343782 425166 298904 340415 290362 305521 300642 PC(18:1_23:6) 222717 239658 240176 220555 167594 79163 85941 87991 83909 99156 201081 362496 295357 235091 224731 140437 130412 137564 137343 154873 PC(19:0_18:1) 1041820 1120594 1255096 1195931 1006703 806512 876898 899167 897536 803904 1136573 1549090 1307231 1279535 1221481 1204790 1177066 1056631 1029977 918024 PC(19:0_20:3) 201286 147464 197428 220181 170146 261734 288520 289262 304867 275003 176993 235356 203325 198598 193978 241830 227928 242381 235452 235498 PC(19:0_20:4) 364836 265219 403319 306334 105929 366479 431779 342956 277847 379303 418608 403696 350355 288794 354613 278229 76912 313426 401078 513997 PC(19:0_22:3) 37418 25936 32341 43512 30792 31692 34585 40297 44189 38455 32886 33524 33085 34891 42269 36159 34294 33532 35302 33240 PC(19:0_22:4) 59998 29982 38699 52379 55736 58399 56454 46266 53790 52635 53529 58889 49953 51565 60354 39314 37587 41231 46742 62196 PC(19:0_22:5) 47664 27112 42530 43848 199 64522 49197 85741 47664 55301 45719 59471 50282 43496 49220 39210 33162 50275 48996 65840 PC(19:1_18:2) 845934 845216 981092 925481 877966 1058900 1064941 965793 1177010 1010561 917583 1000546 908076 842652 958540 991835 1025074 978771 850367 839692 PC(21:0_16:0) 27730 20476 35451 40083 34263 58555 83309 109160 129028 112732 36382 44684 47037 47481 38343 86102 90099 110062 73244 83037 PC(21:0_18:1) 124615 124779 135320 141997 116795 128364 130169 149066 236843 194960 112753 203639 149311 182176 152576 189370 159888 176223 162266 136664 PC(21:0_18:2) 246298 178714 193132 190343 183711 132481 141593 153797 145831 135363 274365 222540 200448 215519 275221 126440 134317 111591 128432 121525 PC(21:5_18:1) 683578 399420 955669 654502 465888 896623 988780 1164425 815484 1211190 595542 929527 893751 640206 768359 856104 1101452 1054260 925747 779688 PC(23:0_16:0) 10703 8858 7396 13968 11940 17512 17302 23084 24321 22854 2979 0 13380 14654 16693 15157 19240 23464 16247 11748 PC(23:0_18:1) 72835 68767 68316 112435 95209 55078 57230 61874 73564 61406 99182 118973 68016 100293 101092 73488 63680 77653 66549 72521 PC(23:0_18:2) 63650 57025 52281 88465 62098 44675 47332 72562 50855 60911 74066 81456 57513 77215 70935 57328 46259 52022 60792 49966 PC(25:0_16:0) 18555 15136 15202 22387 24024 20966 19600 31886 26690 29026 13921 34472 30846 20353 29963 22248 22726 27173 29772 26573 PC(25:0_18:1) 100855 68758 78511 108254 94762 60337 59393 60625 48212 50858 97416 125877 80615 106591 106928 73800 52228 61664 90119 72395 PC(25:0_18:2) 56968 31765 34094 67567 62368 41449 40373 62677 36739 48826 54770 80175 65758 57407 66115 38093 36533 42504 49144 50656 PC(3:0_18:2) 2569 1836 771 1963 2196 4308 4416 5199 13152 6676 560 1793 2167 2098 1699 5696 10288 6658 5972 4322 PC(O-17:0) 79380 204711 175320 111199 113868 207515 222133 217934 146582 204480 133644 298433 167433 206862 156586 200491 129971 160075 238496 283900 PC(O-17:0_18:1) 116880 84766 142708 101569 120238 25908 17836 21818 34234 31855 131742 163878 97021 120241 128051 30710 35921 37089 58494 63276 PC(O-17:0_20:4) 43280 15839 46435 19438 53110 89410 45654 69550 64114 44578 35609 37043 41657 29490 30893 45818 37096 42678 68967 78442 PC(O-17:1_18:1) 32361 44846 118623 19279 23440 19469 22502 48817 28943 21067 24659 81962 23636 66623 36169 50170 30069 25268 46998 21203 PC(O-17:1_18:2) 10021 10552 28973 6204 9577 36087 30408 43708 37058 29724 9475 23550 13530 17623 10716 42084 21142 26535 46098 28242 PC(O-17:1_20:4) 33283 28406 57333 31655 33209 60660 45151 80660 100213 92855 38402 35352 27578 42063 44065 82399 43794 51884 71217 61155 PC(O-18:0_18:1) 340793 588950 287511 379818 276423 689577 749686 540432 605154 571784 352261 193720 173351 358731 318881 546531 685529 489252 505454 381883 PC(O-18:1_22:6) 38622 20103 13042 28306 34255 58003 56802 75284 51014 42854 34161 32693 44578 21837 33069 37302 43467 52231 40552 60556 PC(O-19:0_18:1) 19236 23606 32122 25236 20649 19260 11453 15365 14571 10851 17810 37157 22935 25208 16944 20949 17680 16113 21827 13027 PC(O-19:2_18:1) 26985 24530 52902 19595 29399 22525 18522 29569 32404 23398 26338 50973 21669 46081 29085 34774 22486 22455 43155 19829 PC(O-20:0_18:1) 332490 464530 185247 318624 316304 450388 562112 370602 381498 362557 338600 168522 219142 357764 292642 356175 438225 407291 326719 278452 PE(14:0_16:0) 35092 19451 20709 31056 19729 8149 7301 4969 10017 11754 18872 15264 13306 25892 21732 11858 7642 6597 7251 4789 PE(14:0_20:4) 14013 8330 6657 18537 12020 8900 9842 5551 2750 14225 10634 7903 10063 16073 12806 6441 6660 8030 3703 9869 PE(16:0_16:0) 45634 25966 40907 50488 44576 17970 16100 19884 38621 30278 51107 25830 25693 31192 38442 22108 23207 22066 21047 21004 PE(16:0_16:1) 370113 399252 326607 406430 389898 91925 92987 83371 149519 167936 366718 200972 221160 350525 327601 144432 131358 92827 106605 93362 PE(16:0_17:1) 22490 25028 17458 17164 21540 5766 5990 9545 6769 4185 20870 12933 14596 20233 15528 7369 8961 1986 9067 5443 PE(16:0_18:1) 2551354 3230962 2544723 2476810 2647739 873406 1046430 716213 1083012 1033781 2546282 1718886 1797255 3089740 2382062 1756880 1652023 1244968 1279607 1085255 PE(16:0_18:2) 1020884 1282978 763343 1089540 1050396 1505068 1808148 1535891 1647497 1536802 942496 799528 833357 1085584 932323 1800204 3778797 1337303 1392035 1054267 PE(16:0_20:4) 845288 937481 619384 964556 880294 1315898 2352789 1113530 3301373 1502300 779007 595063 656191 862896 860539 1957000 1331052 1309201 1600068 1139305 PE(16:0_20:5) 72563 93578 64257 112117 88171 208544 269824 215238 398766 472369 73656 53606 69091 97916 84591 360563 307966 220869 202527 157868 PE(16:0_22:6) 849982 655972 585878 657202 789797 1161054 1437387 1600951 1718932 1591024 773069 796626 879164 779269 828156 1252596 1362894 1258073 1335567 1083316 PE(16:1_16:1) 43370 44469 30421 50552 41238 18613 18077 25231 25668 24298 35132 27568 26501 34425 38613 25907 26045 18712 15147 14664 PE(16:1_18:2) 56242 59826 30627 118716 94974 124663 131233 126018 205478 323053 75856 66636 78422 60154 110210 169643 136145 119950 104138 92782 PE(17:0_18:1) 55981 64828 35714 52522 54108 12748 13720 15293 14152 14263 49625 51904 42547 50179 53869 20515 24225 17888 15871 17075 PE(17:1_18:1) 23687 23921 14196 22896 18817 21969 19926 25520 22089 16292 23884 23840 24415 20964 23821 15539 22527 13556 13318 16419 PE(18:0_18:1) 2874163 3206896 2639440 2855194 2324727 1081232 1386876 1183105 1512243 1106253 2744532 2434245 2477427 2830850 2779886 2140115 2212236 1717714 2972148 1405850 PE(18:0_18:2) 2321726 2897382 2054276 2543133 2231281 2502309 2428580 2719839 2166252 1783244 2381265 2313686 2626056 2452076 2528090 2426221 2843270 2046862 2228715 1710080 PE(18:0_19:1) 18262 18336 13888 18926 17349 7726 7506 8114 9864 10835 17024 23134 20479 16808 19353 9418 8380 7987 7773 8779 PE(18:0_20:3) 823140 806281 622395 876152 736645 1036995 1105966 996817 1092561 864199 756647 697743 795000 691997 596961 1029357 1038513 835736 763404 779805 PE(18:0_22:3) 113686 89045 61070 118914 91793 54104 48500 55985 75410 56202 87737 73545 84002 83811 95643 56376 62055 51612 48358 40876 PE(18:0_22:4) 298795 154273 75671 252479 282912 305666 357852 281898 244091 253429 268721 310206 262253 205598 326705 193626 246849 202372 188274 251424 PE(18:0_22:5) 333970 236555 122521 246934 285463 431271 470924 550796 361654 306379 279397 240726 300887 238133 302055 270732 367653 260225 263274 233839 PE(18:0_22:6) 1777718 820086 645078 1103996 1531661 2761240 2833455 3943474 2589658 2944227 1449119 2252042 2594097 1128616 1578063 2274557 2337394 2205682 2141817 2421117 PE(18:1_18:2) 943792 1169687 766366 1006215 924491 612476 786900 721834 871513 795345 895489 793049 1050668 887468 948816 1081954 1050702 787978 825180 582600 PE(18:1_20:1) 347579 442578 322962 408246 299999 126894 139706 163251 169258 135782 347673 351200 346837 342939 367748 191922 180669 144538 123717 109463 PE(18:1_20:3) 1417250 806173 616859 1290387 1405516 2749279 2527669 2146074 2285619 2262223 1594216 1183552 1484581 1013332 1359540 1852942 2062112 2097142 1657285 2263307 PE(18:1_20:4) 924434 611940 552024 890090 732039 752981 842721 807711 914928 883598 820084 609461 821378 819723 832215 881980 927840 702539 659231 587079 PE(18:1_22:1) 87153 86979 79149 127147 84832 50761 46844 72648 68801 61360 91176 113082 79290 99526 93522 79477 60921 49152 57057 52542 PE(18:1_24:1) 48391 31503 31136 59930 44127 34079 30108 51418 48723 50935 46340 63611 61932 46498 57757 38796 38542 38524 38252 40457 PE(20:0_18:1) 172772 209108 192665 200575 140622 84605 90418 110831 149478 124198 153296 226147 196916 212659 203483 182425 151125 114483 123365 118628 PE(20:0_3:0) 2707 4287 14605 4210 3058 677 320 436 1038 494 4440 12305 5946 11193 5888 2319 329 378 1980 871 PE(22:0_18:1) 122951 111886 138533 139593 98703 69101 56442 64929 87183 79248 95938 145005 99551 134666 113687 93419 78898 73314 75863 68837 PE(22:0_20:3) 27149 17105 15074 38659 23517 16334 19802 23919 32350 25232 25352 27371 24947 23807 27550 24416 20018 19377 18555 17002 PE(24:0_18:1) 195064 116446 129827 218834 155439 59980 78669 68893 78179 64655 162264 205877 169352 161278 183047 106728 62552 82026 97976 112370 PE(O-14:1_20:4) 25079 11547 11951 20036 19974 31002 32337 20344 29978 33582 15704 18779 15007 19994 27305 20434 15876 18546 15313 20194 PE(O-16:1_16:0) 81853 70264 98853 93956 72399 35936 42457 30761 74395 54127 69477 59719 20750 64762 57986 44219 52914 46380 35858 33842 PE(O-16:1_16:1) 150409 244761 330292 185684 158414 31712 36627 23088 52620 49305 158977 88387 66041 150377 139153 47530 47479 36831 37177 34442 PE(O-16:1_18:1) 2046998 2700311 3091926 2056408 1625344 565079 761706 422520 746410 503661 1830728 1517398 989820 2016101 1462164 1098743 1029002 686899 963543 641799 PE(O-16:1_18:2) 286363 572585 474641 337189 377771 730663 742053 897983 677629 795099 357501 362822 232620 284792 275405 1009951 1294601 574725 889545 508818 PE(O-16:1_18:3) 24131 34756 41410 34439 35019 44119 52044 51403 115837 102481 30130 23277 13785 30902 25374 93808 87127 60537 63173 46587 PE(O-16:1_20:3) 401821 723345 583838 497174 560819 713915 810317 558380 966610 960861 529129 597968 372561 0 386502 957397 1004479 697623 658023 564969 PE(O-16:1_20:4) 67665 51011 3305 141205 51051 149716 192208 121974 263242 67658 58819 1396952 46044 12244 36872 90867 62800 187947 89658 93317 PE(O-16:1_20:5) 151112 174706 160020 128267 150852 393016 479136 433308 804187 603207 118357 90752 78942 108561 96447 459490 464481 382442 415835 336930 PE(O-16:1_22:1) 234323 270617 348895 314965 187724 150221 141350 140297 371220 257220 198921 246818 190879 269047 206221 272379 276546 240430 181606 170307 PE(O-16:1_22:6) 1069677 986532 872716 990648 1301308 1805593 2174123 2283041 1841241 1940468 1243478 863482 1068781 778312 968716 1356343 1768610 1423571 1906837 1504041 PE(O-16:2_20:3) 1631824 1259493 1238227 1568690 1902521 2498296 2535979 2162697 2696065 2118219 1611036 1299081 1168716 1095398 1373813 2132394 1822406 1656527 2155001 2340284 PE(O-18:1_16:0) 149004 123827 178653 214949 142928 91328 97447 95481 189210 131404 147970 437254 103182 169579 141701 133649 140216 115922 94716 82362 PE(O-18:1_18:1) 861277 1610256 1521023 1014941 1016775 576023 638751 443655 708164 560632 1246312 968224 737022 984842 711467 807853 798123 591302 699614 621315 PE(O-18:1_18:2) 875872 1113345 1000219 885817 929464 965654 880656 1070846 795582 622743 1040858 946336 952725 735011 707326 957643 1205512 687007 924167 705497 PE(O-18:1_20:3) 525882 686078 547598 646419 506552 782071 909521 774067 1032456 737132 549850 500966 373894 626803 432627 984079 1034074 776627 620325 479676 PE(O-18:1_20:4) 1494695 967308 1010375 1320457 1498759 2657316 2052473 2072840 2251158 1988632 1445555 1183752 1097294 1146040 1272493 1783229 1630178 1753059 1788825 2236884 PE(O-18:1_22:1) 41731 34129 55142 60385 43837 36821 34159 42576 102652 70172 37668 41401 36916 44300 44525 64310 56695 55600 59562 44346 PE(O-18:1_22:4) 406498 216079 232784 429478 389274 457255 448857 356233 314054 321682 376500 308468 287967 311967 330092 253044 305209 293953 257566 356010 PE(O-18:1_22:5) 503706 341925 338702 417295 383723 676705 721861 776342 508204 422138 426282 511992 466676 409982 495487 425847 485708 391426 452903 485206 PE(O-18:2_20:1) 195239 191611 218012 245438 197767 64089 55627 63433 75544 58233 193033 222806 180093 216019 168056 82050 87469 75134 63735 60051 PE(O-18:2_22:1) 63996 47116 66084 102047 69682 10116 7962 7966 17006 10959 66042 69127 50447 87791 57731 15295 12952 13553 13812 21616 PE(O-18:2_22:5) 818371 636479 633364 686196 612216 1342802 1256035 1239637 963346 824273 591035 725155 926975 758556 806318 801906 864338 862298 1238481 1198337 PE(O-18:2_22:6) 559479 484273 316508 509451 527585 123905 95409 159079 118227 151762 571016 607387 734548 568350 559717 124115 152830 132474 166134 270607 PE(O-18:3_22:6) 27364 12824 4390 23112 34350 26756 25415 42377 19965 25475 30380 47670 315 30648 44792 16764 19575 16808 23890 36009 PE(O-20:1_22:6) 38997 20829 13072 27886 32555 58009 53376 64456 50998 45357 34159 32701 44739 21848 33064 37293 40583 53027 40683 51451 PG(14:0_16:0) 60091 48777 30126 80251 65436 57780 68287 43690 101827 79929 39570 17793 29293 51362 48830 70621 80502 51781 48817 39297 PG(16:0_16:1) 240658 263215 148916 296817 246412 71098 72247 51797 133884 123254 195263 81666 91822 245438 203897 123047 117827 85854 74469 57505 PG(16:0_17:1) 13191 11480 6147 15715 12525 4042 2729 3504 4756 2875 11471 5480 5076 10794 11482 2532 6339 3010 3341 2176 PG(16:0_20:5) 36362 30707 26544 34765 23323 38558 44050 21121 135103 100368 18496 15076 11263 34438 23631 103304 74771 43813 44820 29347 PG(16:1_16:1) 23014 18981 31119 28504 19487 7861 7667 6984 14637 10177 17195 15121 9843 25565 17669 10580 9866 5301 6550 4415 PG(16:1_18:2) 37000 39642 78654 47172 28345 16711 16268 15627 26173 25443 27531 45708 22829 49015 33129 27587 26440 15459 14455 11004 PG(18:0_20:1) 58354 61798 29206 54308 50189 40167 52892 31028 90621 68272 42716 35274 34550 71295 62396 94693 72585 48284 46552 38917 PG(18:0_20:3) 103551 254697 204073 241195 249569 265058 367325 184390 429748 334091 191500 201913 126954 230953 187532 409043 376955 248481 250455 210226 PG(18:0_20:4) 67086 46891 150 50431 55451 52905 72678 28226 99196 78353 40699 31582 21433 41401 40438 120394 59343 69632 65327 61703 PG(18:0_22:6) 72522 61832 27422 71965 69882 163425 166249 162729 201494 163750 72145 88894 69256 81664 79034 162180 157299 138273 124517 100328 PG(18:1_20:3) 746515 490673 220234 640979 516397 624476 698829 262931 983512 842088 447453 319483 257401 475077 553005 891722 712279 576276 472180 550826 PG(18:1_20:4) 168568 150306 92967 171284 119019 127815 187912 89883 270615 212126 125045 88984 53690 150147 120846 217635 211559 129770 126718 101262 PG(18:2_20:5) 12764 8958 7381 9515 12345 12825 13917 13311 36844 20158 7106 5523 7285 5566 9057 11312 9041 9485 11665 8014 PG(20:3_20:4) 178625 118093 80508 135622 175727 134439 129485 140355 167399 60067 134482 145859 116484 104135 152216 163714 142483 123451 134590 109271 PG(20:3_22:6) 50806 25043 22488 43780 52819 76875 67352 72764 92026 67172 33596 41131 26210 24604 45110 65611 53618 39900 43138 38775 PG(20:4_20:5) 5642 1918 1527 3184 4779 8828 8383 8164 18490 11765 3113 2413 2332 2031 4446 8841 8896 5222 6048 4625 PG(20:5_22:6) 5567 2592 1889 3703 5922 13198 11806 14972 21245 17401 2951 5458 3188 1994 4321 12592 12136 9448 11287 8977 PG(22:0_18:1) 57988 38092 12032 74587 33843 9266 14374 10257 38757 29337 37778 26339 24507 75879 59866 44541 32498 20494 18515 14942 PG(22:0_18:2) 20576 17426 12378 29200 19803 9747 8556 6991 28775 15375 25785 14012 12541 27040 27973 33996 15978 6676 15416 7302 PG(22:4_22:6) 18383 6071 2381 11014 20632 29421 19554 21223 15456 19492 13806 15069 14451 5488 18874 12154 12347 11933 14276 20116 PG(24:0_18:1) 37579 22681 14653 49499 32642 5757 5682 8487 16901 9231 22666 28087 26172 49723 39069 24363 14790 13332 9236 7960 PG(24:0_18:2) 19746 12400 7411 27004 12152 7210 9447 10880 18019 12799 16612 18473 18490 27278 23283 23075 11172 9769 10278 6755 PI(14:0_16:0) 4576 8124 4697 3787 2752 19961 23321 32503 22117 20861 1652 2005 3067 2349 2615 18649 25335 16135 14317 12381 PI(16:0_16:0) 65211 90339 75634 47219 41298 280788 313434 473278 322833 295269 43000 40659 49424 50261 46114 244795 424482 271735 242146 218520 PI(16:0_16:1) 82449 87229 90248 71642 66175 74266 90116 109353 90285 104736 70713 50837 53746 68234 57895 86821 92644 97291 79631 71790 PI(16:0_18:0) 256081 304848 155893 195011 229173 1187949 1374064 1924130 1485884 1318292 222814 210062 311566 154026 271840 1176705 1458907 1107358 1038423 934631 PI(16:0_18:2) 129249 165376 157468 138196 120689 152746 175973 235134 190782 126717 131181 113169 125400 105640 99814 150407 173331 114488 124983 100385 PI(16:0_20:5) 51136 52811 100213 49771 34289 49942 59586 63903 113880 78201 39059 23736 25314 39884 29016 87505 77967 46027 47025 36227 PI(17:0_20:4) 15678 9170 10494 14418 15847 14706 14643 16811 10909 9048 13228 13066 11685 9478 13671 10314 9568 7585 8927 9337 PI(18:0_20:2) 113695 286865 141712 155743 130948 145529 157691 224550 68050 76177 151268 164811 123659 180772 93603 117086 179549 104523 140888 94868 PI(18:0_20:3) 405050 513286 473904 547479 501701 729302 720208 889893 555264 501175 503587 415917 323727 256446 317727 521559 730786 542843 532040 389523 PI(18:0_20:4) 2918333 1945786 1541768 2501128 2812894 3824856 4117185 3747925 2829423 2766840 2935297 1906067 2192152 1473699 2553349 2493039 2741372 2747747 2647614 2917323 PI(18:0_20:5) 704052 743429 508896 891953 639674 372938 425551 451523 480678 362999 810596 547785 531727 559049 555666 484094 528574 363170 351971 305419 PI(18:0_22:3) 30197 36882 22315 33579 28716 16722 18515 19938 13179 6223 29993 22969 19034 19528 21673 17734 23072 14468 17698 8871 PI(18:0_22:4) 152942 163398 113155 133849 170474 207999 214712 199745 116636 129845 170856 118510 138128 99308 139804 147793 173755 119251 140659 152054 PI(18:0_22:5) 124820 101931 69794 104801 106645 137616 117494 184381 78418 89787 111147 91013 81213 74655 99170 68353 89518 80263 77676 89827 PI(18:0_22:6) 96544 38326 54458 33892 78399 185656 178117 416093 133732 109395 67826 94559 108800 50530 92532 76403 127859 118280 120548 114614 PI(18:1_18:1) 44878 55548 41923 33575 30198 51584 54538 52427 38213 25655 38411 78680 645 26996 32436 44694 52768 30289 38934 25810 PI(18:1_18:2) 216066 312436 212036 208781 190377 168596 178601 230846 172873 127380 214033 284146 303473 184178 209822 199405 233346 147271 157099 121750 PI(18:1_22:6) 30607 26556 22697 26882 22619 23602 24478 19487 22291 19103 28873 41219 31665 25111 29401 23079 21739 17838 18484 16033 PI(18:2_20:4) 91706 91431 44017 84246 76414 45382 46479 44191 53471 30215 55433 50243 41106 61445 67007 96297 48038 31872 33268 26013 PI(20:4_20:4) 10869 7631 12053 11967 9539 12488 12408 15372 10979 8621 10632 18028 12444 10741 12377 9739 7887 5911 7649 7370 PI(O-18:0_20:4) 25913 28664 40404 24755 32506 36057 27791 23987 25258 18574 25163 48480 23260 22493 22549 32424 19014 19402 36319 24029 PI(O-18:0_22:6) 7912 15848 9039 8960 9922 22425 23275 24566 16950 13901 6053 16229 14934 6477 9890 16999 19011 17064 16653 13634 PI(O-18:1_20:4) 25959 20731 22984 31948 37575 15813 13630 11461 15645 12230 28697 39105 25102 17131 26271 14461 12576 12905 18596 16140 PS(16:0_16:1) 42090 40971 45952 39330 37836 19839 22306 11611 35093 39799 33324 19365 10682 37804 25180 20994 21406 24107 19339 15281 PS(16:0_18:3) 4616 3144 4638 3861 3541 10522 10662 7464 17435 22272 2774 1906 1483 3172 2983 13629 12923 11478 9314 7398 PS(16:0_20:3) 91728 82757 102805 91061 83598 133547 164603 96197 188387 178859 81368 75606 57505 78699 69038 144478 151695 127159 126434 88442 PS(16:0_20:4) 63350 37211 72513 42722 52584 62794 68350 47419 57131 68758 51435 44717 26650 59375 40209 47551 48358 59644 52645 57360 PS(16:0_20:5) 2445 2849 5901 2217 1528 7895 5253 5027 7997 8269 1839 2058 1378 2436 2126 5480 5836 4790 4926 3583 PS(16:0_22:5) 79201 49973 105744 54116 62936 88046 85032 84891 91529 86864 67999 48820 39730 67839 50055 71823 89794 71177 72103 72742 PS(18:0_19:1) 225481 321786 484006 248577 262184 203208 148995 143459 161023 150792 243522 389694 235274 294257 257755 216151 164666 128562 183653 155194 PS(18:0_20:2) 229989 292164 314667 269588 232920 4740 91565 2186 98820 60371 293978 289785 240189 223863 189570 123155 108510 80702 424356 78605 PS(18:0_20:4) 525315 223963 212694 275701 565462 562457 496415 454773 290518 495453 520274 359230 374891 253792 467969 268728 292293 385452 389531 665651 PS(18:0_21:3) 73430 26635 94512 68060 63149 64440 76652 67632 33212 65999 62660 106223 50833 70046 67794 70620 58831 43142 46326 59352 PS(18:0_21:4) 28669 22318 23368 35584 42465 33083 25157 27807 17487 45014 34727 47131 24340 25621 40510 35698 20675 23222 30934 35441 PS(18:0_23:4) 28343 13497 21206 21865 23086 23161 19686 14643 16094 20940 18675 35546 23170 22745 29125 19123 5674 3233 18541 21096 PS(18:0_23:6) 19041 12534 21025 12252 17040 21276 14202 36258 25200 21761 13418 50064 25909 25823 23647 24132 18396 14399 20970 21408 PS(18:1_20:3) 525315 223963 212694 275701 565462 562457 496415 454773 290518 495453 520274 359230 374891 253792 467969 268728 292293 385452 389531 665651 PS(18:1_22:1) 823196 844915 844805 782079 698312 1066064 1064816 966129 1183353 1011154 766040 1021865 977571 807177 859690 991146 1024113 952837 850456 838896 PS(20:0_18:1) 2284323 2271012 2590165 2205262 2183547 3653820 3547792 4097942 3943754 3606155 2155414 2392998 2342381 2273580 2099855 3148213 3584326 2837085 3336579 2812689 PS(20:4_20:4) 11943 9859 110468 4754 12559 6312 11800 14594 7704 9517 7025 4199 10220 15231 8262 5802 9838 4734 14234 21100 PS(22:0_18:1) 1031074 1050799 1323037 1102181 1085602 1144044 1160316 1375379 1069193 1002682 1039033 1308762 1263075 1083897 1154565 1082715 1148678 958937 1180176 1152863 PS(22:0_20:3) 456209 264555 403191 303950 382135 446627 390721 387117 331398 432585 417926 512936 404114 351842 343953 276145 262669 307021 418975 482297 PS(O-16:1_18:1) 6736 17542 46160 8664 5761 2855 2890 1836 2409 1099 10738 16609 2450 11119 7518 2854 2026 2290 4419 2173 SM(d18:1_23:0) 151869 115829 138027 90128 107394 346321 246255 415464 224584 321524 114161 178014 96500 74071 147493 139456 152997 183337 294394 235594 SM(d35:2) 29694 9152 20335 16207 30520 23639 15817 33789 16347 26769 29625 25972 25328 12991 22280 9751 15682 20654 30313 33571 SM(d37:1) 53302 29297 45899 27105 30331 90088 50109 104949 28289 52185 43545 46527 67456 12208 36349 23778 37400 38269 50899 59774 SM(d39:1) 28555 14302 35021 22172 21609 25368 24480 34567 16333 25783 24447 26956 26819 19573 28598 10983 20369 15518 24259 27203 SM(d43:2) 475484 197408 423476 335787 568050 277606 176342 235000 75752 202895 472956 576395 532089 217329 482752 93183 156831 172764 286050 445791 SM(d43:3) 76446 11693 50553 36028 84771 56850 31530 44235 14328 42931 60568 74725 64964 18973 55745 7449 16676 31140 56650 95341 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Lipid Class m/z rt Cer(d19:0_16:0) Cer 598.5415975 3.458015037 CL(16:0_16:0_18:1_18:1) CL 1403.996255 3.745531531 CL(16:0_16:1_18:1_18:1) CL 1401.980605 3.717704596 CL(16:0_16:1_18:1_18:2) CL 1399.964955 3.68875314 CL(16:0_18:0_18:1_18:2) CL 1430.011905 3.747099428 CL(16:0_18:0_18:2_18:2) CL 1427.996255 3.72059912 CL(16:0_18:2_18:2_18:2) CL 1423.964955 3.653717989 CL(16:1_16:1_18:1_18:2) CL 1397.949305 3.651641128 CL(16:1_18:1_18:1_18:2) CL 1425.980605 3.685259609 CL(16:1_18:2_18:2_18:2) CL 1421.949305 3.633992094 CL(18:0_18:1_18:2_18:2)-2H CL 726.502314 3.735976991 CL(18:0_18:2_18:2_20:2) CL 1480.027555 3.727838678 CL(18:1_18:1_18:2_18:2) CL 1451.996255 3.704227521 CL(18:1_18:1_18:2_18:2)-2H CL 725.494489 3.704227521 CL(18:1_18:1_18:2_20:3) CL 1478.011905 3.701192139 CL(18:1_18:1_18:2_20:4) CL 1475.996255 3.675421898 CL(18:1_18:2_18:2_18:2)-2H CL 724.486664 3.669438546 CL(18:1_18:2_18:2_20:4) CL 1473.980605 3.650145024 CL(18:2_18:2_18:2_18:2) CL 1447.964955 3.636498774 CL(18:2_18:2_18:2_20:4) CL 1471.964955 3.640873902 CL(18:2_18:2_20:4_20:4) CL 1495.964955 3.627913474 CL(20:3_18:2_18:2_20:4) CL 1497.980605 3.647064357 CL(38:7_18:2_18:2) CL 1469.949305 3.6170597 FA(13:0) FA 213.1860035 2.221261319 FA(14:0) FA 227.2016535 2.385029208 FA(14:1) FA 225.1860035 2.181435975 FA(15:0) FA 241.2173035 2.520279761 FA(17:0) FA 269.2486035 2.764938183 FA(17:1) FA 267.2329535 2.592974106 FA(19:0) FA 297.2799035 2.969886844 FA(19:1) FA 295.2642535 2.810592755 FA(19:2) FA 293.2486035 2.664142711 FA(20:0) FA 311.2955535 2.742236964 FA(20:1) FA 309.2799035 2.908329006 FA(20:2) FA 307.2642535 2.766032525 FA(20:3) FA 305.2486035 2.63551995 FA(20:4) FA 303.2329535 2.512213203 FA(20:5) FA 301.2173035 2.365957879 FA(21:0) FA 325.3112035 3.14714367 FA(21:5) FA 315.2329535 2.478331204 FA(22:0) FA 339.3268535 3.222128276 FA(22:1) FA 337.3112035 3.082514337 FA(22:2) FA 335.2955535 2.960686534 FA(22:3) FA 333.2799035 2.847158347 FA(22:4) FA 331.2642535 2.713531443 FA(22:5) FA 329.2486035 2.581494873 FA(22:6) FA 327.2329535 2.462561676 FA(23:0) FA 353.3425035 3.292461685 FA(24:0) FA 367.3581535 3.359244375 FA(24:1) FA 365.3425035 3.233822282 FA(24:2) FA 363.3268535 3.121363803 FA(24:3) FA 361.3112035 3.016740636 FA(24:4) FA 359.2955535 2.89707199 FA(24:5) FA 357.2799035 2.784170914 FA(24:6) FA 355.2642535 2.674876883 FA(26:0) FA 395.3894535 3.476439109 FA(26:1) FA 393.3738035 3.36293208 Hex1Cer(d16:0_24:1) Hex1Cer 828.6570225 3.572731402 Hex1Cer(d42:1) Hex1Cer 856.6883225 3.608879422 Hex1Cer(d42:2) Hex1Cer 854.6726725 3.568967351 LPA(14:0) LPA 381.2047665 1.988161297 LPA(16:0) LPA 409.2360665 2.243686854 LPA(18:0) LPA 437.2673665 2.468304412 LPC(19:1) LPC 580.3619955 2.365974661 LPC(19:2) LPC 578.3463455 2.208935421 LPC(19:3) LPC 576.3306955 2.127610837 LPC(21:0) LPC 610.4089455 2.784580771 LPC(21:1) LPC 608.3932955 2.616350599 LPC(21:2) LPC 606.3776455 2.475615455 LPC(21:4) LPC 602.3463455 2.196919429 LPC(23:0) LPC 638.4402455 2.961721097 LPC(23:6) LPC 626.3463455 2.213786947 LPC(25:0) LPC 666.4715455 3.115029149 LPC(O-17:0) LPC 540.3670805 2.457348696 LPC(O-17:1) LPC 538.3514305 2.459021975 LPC(O-19:0) LPC 568.3983805 2.678528163 LPC(O-19:1) LPC 566.3827305 2.50243442 LPE(O-16:1) LPE 436.2833505 2.49902255 LPE(O-18:1) LPE 464.3146505 2.720424721 LPE(O-18:2) LPE 462.2990005 2.544493785 LPE(O-18:3) LPE 460.2833505 2.39765424 LPE(O-20:1) LPE 492.3459505 2.908990618 LPE(O-26:7) LPE 564.3459505 3.138756262 LPG(20:1) LPG 537.3197965 2.422631402 LPI(16:0) LPI 571.2888915 2.156799651 LPI(18:0) LPI 599.3201915 2.382516591 LPI(18:1) LPI 597.3045415 2.206971864 LPI(18:2) LPI 595.2888915 2.012154265 LPI(20:0) LPI 627.3514915 2.577594095 LPI(20:4) LPI 619.2888915 2.009411026 PA(14:0_16:0) PA 619.4344315 3.128804649 PA(16:0_16:0) PA 647.4657315 3.228887782 PA(16:0_18:0) PA 675.4970315 3.351365542 PA(16:0_18:2) PA 671.4657315 3.188316243 PA(18:0_18:2) PA 699.4970315 3.287482502 PA(20:4_16:0) PA 695.4657315 3.175000971 PA(O-20:2_12:0) PA 629.4551665 2.517240974 PC(14:0_15:0) PC 736.5134105 3.144223083 PC(14:0_16:0) PC 690.5079305 3.264247815 PC(14:0_17:0) PC 764.5447105 3.265101204 PC(15:0_16:1) PC 762.5290605 3.175680938 PC(16:0_16:1) PC 716.5235805 3.292656355 PC(16:0_17:0) PC 792.5760105 3.366665998 PC(16:0_18:1) PC 804.5760105 3.339836596 PC(16:0_18:2) PC 742.5392305 3.303146681 PC(16:0_19:0) PC 820.6073105 3.460130819 PC(16:0_20:3) PC 768.5548805 3.354669399 PC(17:0_18:1) PC 818.5916605 3.378627173 PC(17:0_18:2) PC 816.5760105 3.313670036 PC(17:0_20:4) PC 840.5760105 3.311784439 PC(17:1_16:1) PC 788.5447105 3.209227949 PC(17:1_18:2) PC 814.5603605 3.2457165 PC(17:1_20:4) PC 838.5603605 3.239313102 PC(17:2_18:2) PC 812.5447105 3.255501252 PC(18:0_18:0) PC 834.6229605 3.546397591 PC(18:0_18:2) PC 770.5705305 3.371308457 PC(18:0_23:6) PC 892.6073105 3.376940849 PC(18:1_19:1) PC 844.6073105 3.414289564 PC(18:1_21:4) PC 866.5916605 3.327085224 PC(18:1_23:6) PC 890.5916605 3.296503249 PC(19:0_18:1) PC 846.6229605 3.470257486 PC(19:0_20:3) PC 870.6229605 3.437614407 PC(19:0_20:4) PC 868.6073105 3.381990169 PC(19:0_22:3) PC 898.6542605 3.522283838 PC(19:0_22:4) PC 896.6386105 3.470197989 PC(19:0_22:5) PC 894.6229605 3.418960851 PC(19:1_18:2) PC 842.5916605 3.347409777 PC(21:0_16:0) PC 848.6386105 3.541434866 PC(21:0_18:1) PC 874.6542605 3.546707409 PC(21:0_18:2) PC 872.6386105 3.496432984 PC(21:5_18:1) PC 864.5760105 3.286949446 PC(23:0_16:0) PC 876.6699105 3.601961058 PC(23:0_18:1) PC 902.6855605 3.61275089 PC(23:0_18:2) PC 900.6699105 3.570774623 PC(25:0_16:0) PC 904.7012105 3.673878857 PC(25:0_18:1) PC 930.7168605 3.683071364 PC(25:0_18:2) PC 928.7012105 3.624647714 PC(3:0_18:2) PC 620.3569105 2.285143509 PC(O-17:0) PC 554.3463455 2.303295965 PC(O-17:0_18:1) PC 804.6123955 3.447386579 PC(O-17:0_20:4) PC 826.5967455 3.394746739 PC(O-17:1_18:1) PC 802.5967455 3.431249939 PC(O-17:1_18:2) PC 800.5810955 3.362066083 PC(O-17:1_20:4) PC 824.5810955 3.343325646 PC(O-18:0_18:1) PC 818.6280455 3.575334501 PC(O-18:1_22:6) PC 802.5756155 3.519121972 PC(O-19:0_18:1) PC 832.6436955 3.54139053 PC(O-19:2_18:1) PC 828.6123955 3.434999155 PC(O-20:0_18:1) PC 846.6593455 3.632094118 PE(14:0_16:0) PE 662.4766305 3.292723965 PE(14:0_20:4) PE 710.4766305 3.235250888 PE(16:0_16:0) PE 690.5079305 3.395805241 PE(16:0_16:1) PE 688.4922805 3.319106412 PE(16:0_17:1) PE 702.5079305 3.365784387 PE(16:0_18:1) PE 716.5235805 3.412727821 PE(16:0_18:2) PE 714.5079305 3.341088336 PE(16:0_20:4) PE 738.5079305 3.332599749 PE(16:0_20:5) PE 736.4922805 3.278815511 PE(16:0_22:6) PE 762.5079305 3.315693473 PE(16:1_16:1) PE 686.4766305 3.241058794 PE(16:1_18:2) PE 712.4922805 3.270572247 PE(17:0_18:1) PE 730.5392305 3.454533345 PE(17:1_18:1) PE 728.5235805 3.391217291 PE(18:0_18:1) PE 744.5548805 3.494951338 PE(18:0_18:2) PE 742.5392305 3.427102505 PE(18:0_19:1) PE 758.5705305 3.52583291 PE(18:0_20:3) PE 768.5548805 3.468716046 PE(18:0_22:3) PE 796.5861805 3.544880881 PE(18:0_22:4) PE 794.5705305 3.494999997 PE(18:0_22:5) PE 792.5548805 3.445256342 PE(18:0_22:6) PE 790.5392305 3.40539904 PE(18:1_18:2) PE 740.5235805 3.365905529 PE(18:1_20:1) PE 770.5705305 3.50912522 PE(18:1_20:3) PE 766.5392305 3.436471577 PE(18:1_20:4) PE 764.5235805 3.358386762 PE(18:1_22:1) PE 798.6018305 3.576935906 PE(18:1_24:1) PE 826.6331305 3.63787281 PE(20:0_18:1) PE 772.5861805 3.565051513 PE(20:0_3:0) PE 564.3670805 2.502513462 PE(22:0_18:1) PE 800.6174805 3.63345228 PE(22:0_20:3) PE 824.6174805 3.602854666 PE(24:0_18:1) PE 828.6487805 3.689967011 PE(O-14:1_20:4) PE 694.4817155 3.298734225 PE(O-16:1_16:0) PE 674.5130155 3.448832798 PE(O-16:1_16:1) PE 672.4973655 3.377158726 PE(O-16:1_18:1) PE 700.5286655 3.460324379 PE(O-16:1_18:2) PE 698.5130155 3.398175671 PE(O-16:1_18:3) PE 696.4973655 3.347038476 PE(O-16:1_20:3) PE 724.5286655 3.427847751 PE(O-16:1_20:4) PE 722.5130155 3.469048859 PE(O-16:1_20:5) PE 720.4973655 3.33312003 PE(O-16:1_22:1) PE 756.5912655 3.610612073 PE(O-16:1_22:6) PE 746.5130155 3.368398181 PE(O-16:2_20:3) PE 722.5130155 3.395568954 PE(O-18:1_16:0) PE 702.5443155 3.529560638 PE(O-18:1_18:1) PE 728.5599655 3.544704231 PE(O-18:1_18:2) PE 726.5443155 3.490654007 PE(O-18:1_20:3) PE 752.5599655 3.515238856 PE(O-18:1_20:4) PE 750.5443155 3.472437187 PE(O-18:1_22:1) PE 784.6225655 3.668004236 PE(O-18:1_22:4) PE 778.5756155 3.53322701 PE(O-18:1_22:5) PE 776.5599655 3.488929477 PE(O-18:2_20:1) PE 754.5756155 3.549054629 PE(O-18:2_22:1) PE 782.6069155 3.610748346 PE(O-18:2_22:5) PE 774.5443155 3.456859416 PE(O-18:2_22:6) PE 772.5286655 3.388421489 PE(O-18:3_22:6) PE 770.5130155 3.31449021 PE(O-20:1_22:6) PE 802.5756155 3.533911739 PG(14:0_16:0) PG 693.4712115 3.078235877 PG(16:0_16:1) PG 719.4868615 3.105493808 PG(16:0_17:1) PG 733.5025115 3.15601333 PG(16:0_20:5) PG 767.4868615 3.062869242 PG(16:1_16:1) PG 717.4712115 3.030606243 PG(16:1_18:2) PG 743.4868615 3.042419345 PG(18:0_20:1) PG 803.5807615 3.374741464 PG(18:0_20:3) PG 799.5494615 3.265127203 PG(18:0_20:4) PG 797.5338115 3.335846649 PG(18:0_22:6) PG 821.5338115 3.137805341 PG(18:1_20:3) PG 797.5338115 3.178096694 PG(18:1_20:4) PG 795.5181615 3.147901553 PG(18:2_20:5) PG 791.4868615 2.960081577 PG(20:3_20:4) PG 819.5181615 3.065371014 PG(20:3_22:6) PG 843.5181615 3.02731718 PG(20:4_20:5) PG 815.4868615 2.929587368 PG(20:5_22:6) PG 839.4868615 2.913140033 PG(22:0_18:1) PG 831.6120615 3.445642518 PG(22:0_18:2) PG 829.5964115 3.391266929 PG(22:4_22:6) PG 869.5338115 3.064459182 PG(24:0_18:1) PG 859.6433615 3.507024894 PG(24:0_18:2) PG 857.6277115 3.458067654 PI(14:0_16:0) PI 781.4872565 3.039337889 PI(16:0_16:0) PI 809.5185565 3.151622607 PI(16:0_16:1) PI 807.5029065 3.097175172 PI(16:0_18:0) PI 837.5498565 3.244122677 PI(16:0_18:2) PI 833.5185565 3.106518335 PI(16:0_20:5) PI 855.5029065 3.02847034 PI(17:0_20:4) PI 871.5342065 3.155288876 PI(18:0_20:2) PI 889.5811565 3.289313351 PI(18:0_20:3) PI 887.5655065 3.248531865 PI(18:0_20:4) PI 885.5498565 3.200483099 PI(18:0_20:5) PI 883.5342065 3.126298376 PI(18:0_22:3) PI 915.5968065 3.317646454 PI(18:0_22:4) PI 913.5811565 3.281030665 PI(18:0_22:5) PI 911.5655065 3.210854601 PI(18:0_22:6) PI 909.5498565 3.179971753 PI(18:1_18:1) PI 861.5498565 3.299884405 PI(18:1_18:2) PI 859.5342065 3.124480367 PI(18:1_22:6) PI 907.5342065 3.099237551 PI(18:2_20:4) PI 881.5185565 3.046543115 PI(20:4_20:4) PI 905.5185565 3.030386687 PI(O-18:0_20:4) PI 871.5705915 3.254403974 PI(O-18:0_22:6) PI 895.5705915 3.238144425 PI(O-18:1_20:4) PI 869.5549415 3.168567725 PS(16:0_16:1) PS 732.4821105 3.08616024 PS(16:0_18:3) PS 756.4821105 3.067666026 PS(16:0_20:3) PS 784.5134105 3.154864908 PS(16:0_20:4) PS 782.4977605 3.113042366 PS(16:0_20:5) PS 780.4821105 3.048090661 PS(16:0_22:5) PS 808.5134105 3.122902479 PS(18:0_19:1) PS 802.5603605 3.298686929 PS(18:0_20:2) PS 814.5603605 3.320138116 PS(18:0_20:4) PS 810.5290605 3.218001133 PS(18:0_21:3) PS 826.5603605 3.294537464 PS(18:0_21:4) PS 824.5447105 3.233728364 PS(18:0_23:4) PS 852.5760105 3.29403284 PS(18:0_23:6) PS 848.5447105 3.207378993 PS(18:1_20:3) PS 810.5290605 3.171159991 PS(18:1_22:1) PS 842.5916605 3.348848197 PS(20:0_18:1) PS 816.5760105 3.314495935 PS(20:4_20:4) PS 830.4977605 3.49244638 PS(22:0_18:1) PS 844.6073105 3.412164518 PS(22:0_20:3) PS 868.6073105 3.401579728 PS(O-16:1_18:1) PS 744.5184955 3.233518656 SM(d18:1_23:0) SM 845.6753295 3.540670572 SM(d35:2) SM 759.5657795 3.176012459 SM(d37:1) SM 789.6127295 3.369222316 SM(d39:1) SM 817.6440295 3.46488529 SM(d43:2) SM 871.6909795 3.550929381 SM(d43:3) SM 869.6753295 3.489157166 METABOLITES_END #END