#METABOLOMICS WORKBENCH ayumiando_20180930_230410_mwtab.txt DATATRACK_ID:1520 STUDY_ID:ST001065 ANALYSIS_ID:AN001743 PROJECT_ID:PR000713 VERSION 1 CREATED_ON October 3, 2018, 9:40 am #PROJECT PR:PROJECT_TITLE Lipidomics analysis for aged mice organs PR:PROJECT_TYPE MS lipidomics analysis PR:PROJECT_SUMMARY Lipidomics studies on samples from aged and young mice. PR:INSTITUTE Takeda Pharmaceutical Company Limited PR:LAST_NAME Ando PR:FIRST_NAME Ayumi PR:ADDRESS 26-1, Muraoka-Higashi 2-chome, Fujisawa-shi, Kanagawa, 251-8555, Japan PR:EMAIL ayumi.kawamura@takeda.com PR:PHONE +81-466-32-4216 PR:PUBLICATIONS Manuscript is now submitting to Metabolomics #STUDY ST:STUDY_TITLE Lipidomics analysis for aged mice brain cortex (part-II) ST:STUDY_TYPE MS lipidomics analysis ST:STUDY_SUMMARY Lipidomics studies on samples from aged and young mice. ST:INSTITUTE Takeda Pharmaceutical Company Limited ST:LAST_NAME Ayumi ST:FIRST_NAME Ando ST:ADDRESS 26-1, Muraoka-Higashi 2-chome, Fujisawa-shi, Kanagawa 251-8555, Japan ST:EMAIL ayumi.kawamura@takeda.com ST:PHONE +81466-32-4216 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL/6J mice SU:AGE_OR_AGE_RANGE 8 week (“young”) and 112 week (“old”). SU:WEIGHT_OR_WEIGHT_RANGE young: 20.2g (mean), aged: 34.3g (mean) SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER CLEA (Tokyo, Japan) SU:ANIMAL_LIGHT_CYCLE a 12-hour light/12-hour dark schedule SU:ANIMAL_FEED CE-2, CLEA SU:ANIMAL_WATER tap water #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - Adipose_51_young Age:Young 8 weeks | Tissue:Epididymal adipose tissue SUBJECT_SAMPLE_FACTORS - Adipose_53_young Age:Young 8 weeks | Tissue:Epididymal adipose tissue SUBJECT_SAMPLE_FACTORS - Adipose_55_young Age:Young 8 weeks | Tissue:Epididymal adipose tissue SUBJECT_SAMPLE_FACTORS - Adipose_57_young Age:Young 8 weeks | Tissue:Epididymal adipose tissue SUBJECT_SAMPLE_FACTORS - Adipose_59_young Age:Young 8 weeks | Tissue:Epididymal adipose tissue SUBJECT_SAMPLE_FACTORS - Adipose_52_aged Age:Aged 112 weeks | Tissue:Epididymal adipose tissue SUBJECT_SAMPLE_FACTORS - Adipose_54_aged Age:Aged 112 weeks | Tissue:Epididymal adipose tissue SUBJECT_SAMPLE_FACTORS - Adipose_56_aged Age:Aged 112 weeks | Tissue:Epididymal adipose tissue SUBJECT_SAMPLE_FACTORS - Adipose_58_aged Age:Aged 112 weeks | Tissue:Epididymal adipose tissue SUBJECT_SAMPLE_FACTORS - Adipose_60_aged Age:Aged 112 weeks | Tissue:Epididymal adipose tissue SUBJECT_SAMPLE_FACTORS - Liver_51_young Age:Young 8 weeks | Tissue:Liver SUBJECT_SAMPLE_FACTORS - Liver_53_young Age:Young 8 weeks | Tissue:Liver SUBJECT_SAMPLE_FACTORS - Liver_55_young Age:Young 8 weeks | Tissue:Liver SUBJECT_SAMPLE_FACTORS - Liver_57_young Age:Young 8 weeks | Tissue:Liver SUBJECT_SAMPLE_FACTORS - Liver_59_young Age:Young 8 weeks | Tissue:Liver SUBJECT_SAMPLE_FACTORS - Liver_52_aged Age:Aged 112 weeks | Tissue:Liver SUBJECT_SAMPLE_FACTORS - Liver_54_aged Age:Aged 112 weeks | Tissue:Liver SUBJECT_SAMPLE_FACTORS - Liver_56_aged Age:Aged 112 weeks | Tissue:Liver SUBJECT_SAMPLE_FACTORS - Liver_58_aged Age:Aged 112 weeks | Tissue:Liver SUBJECT_SAMPLE_FACTORS - Liver_60_aged Age:Aged 112 weeks | Tissue:Liver SUBJECT_SAMPLE_FACTORS - Cortex_51_young Age:Young 8 weeks | Tissue:Cerebral Cortex SUBJECT_SAMPLE_FACTORS - Cortex_53_young Age:Young 8 weeks | Tissue:Cerebral Cortex SUBJECT_SAMPLE_FACTORS - Cortex_55_young Age:Young 8 weeks | Tissue:Cerebral Cortex SUBJECT_SAMPLE_FACTORS - Cortex_57_young Age:Young 8 weeks | Tissue:Cerebral Cortex SUBJECT_SAMPLE_FACTORS - Cortex_59_young Age:Young 8 weeks | Tissue:Cerebral Cortex SUBJECT_SAMPLE_FACTORS - Cortex_52_aged Age:Aged 112 weeks | Tissue:Cerebral Cortex SUBJECT_SAMPLE_FACTORS - Cortex_54_aged Age:Aged 112 weeks | Tissue:Cerebral Cortex SUBJECT_SAMPLE_FACTORS - Cortex_56_aged Age:Aged 112 weeks | Tissue:Cerebral Cortex SUBJECT_SAMPLE_FACTORS - Cortex_58_aged Age:Aged 112 weeks | Tissue:Cerebral Cortex SUBJECT_SAMPLE_FACTORS - Cortex_60_aged Age:Aged 112 weeks | Tissue:Cerebral Cortex SUBJECT_SAMPLE_FACTORS - Femoral_51_young Age:Young 8 weeks | Tissue:Femoral muscle SUBJECT_SAMPLE_FACTORS - Femoral_53_young Age:Young 8 weeks | Tissue:Femoral muscle SUBJECT_SAMPLE_FACTORS - Femoral_55_young Age:Young 8 weeks | Tissue:Femoral muscle SUBJECT_SAMPLE_FACTORS - Femoral_57_young Age:Young 8 weeks | Tissue:Femoral muscle SUBJECT_SAMPLE_FACTORS - Femoral_59_young Age:Young 8 weeks | Tissue:Femoral muscle SUBJECT_SAMPLE_FACTORS - Femoral_52_aged Age:Aged 112 weeks | Tissue:Femoral muscle SUBJECT_SAMPLE_FACTORS - Femoral_54_aged Age:Aged 112 weeks | Tissue:Femoral muscle SUBJECT_SAMPLE_FACTORS - Femoral_56_aged Age:Aged 112 weeks | Tissue:Femoral muscle SUBJECT_SAMPLE_FACTORS - Femoral_58_aged Age:Aged 112 weeks | Tissue:Femoral muscle SUBJECT_SAMPLE_FACTORS - Femoral_60_aged Age:Aged 112 weeks | Tissue:Femoral muscle #COLLECTION CO:COLLECTION_SUMMARY All mice were killed by decapitation for sample collection. Collected tissues CO:COLLECTION_SUMMARY were immediately frozen by liquid nitrogen then stored -80 C until use. CO:COLLECTION_SUMMARY (Femoral, Cortex, Liver, Adipose) tissues. CO:SAMPLE_TYPE Brain CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Tissues were homogenised in isopropanol (100 mg/mL) for lipidomics. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Tissues were homogenised in isopropanol (100 mg/mL) for lipidomics. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The liquid chromatography/mass spectrometry system consisted of an Ultimate3000 CH:CHROMATOGRAPHY_SUMMARY RSLC system (Thermo Fisher Scientific inc., Sunnyvale, CA, USA) using a gradient CH:CHROMATOGRAPHY_SUMMARY elution consisting of mobile phase A (0.01% acetic acid and 1 mM ammonia in CH:CHROMATOGRAPHY_SUMMARY MilliQ water) and mobile phase B (0.001% acetic acid and 0.2 mM ammonia in CH:CHROMATOGRAPHY_SUMMARY ethanol/isopropanol [3:1]) CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Orbitrap XL CH:COLUMN_NAME Waters XBridge C18 (50 x 2.1mm, 3um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo LTQ XL MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples Cortex_51_young Cortex_53_young Cortex_55_young Cortex_57_young Cortex_59_young Cortex_52_aged Cortex_54_aged Cortex_56_aged Cortex_58_aged Cortex_60_aged Factors Age:Young 8 weeks | Tissue:Cerebral Cortex Age:Young 8 weeks | Tissue:Cerebral Cortex Age:Young 8 weeks | Tissue:Cerebral Cortex Age:Young 8 weeks | Tissue:Cerebral Cortex Age:Young 8 weeks | Tissue:Cerebral Cortex Age:Aged 112 weeks | Tissue:Cerebral Cortex Age:Aged 112 weeks | Tissue:Cerebral Cortex Age:Aged 112 weeks | Tissue:Cerebral Cortex Age:Aged 112 weeks | Tissue:Cerebral Cortex Age:Aged 112 weeks | Tissue:Cerebral Cortex Cer(16:0) 3628323 3114271 3736883 3812694 2649278 1204363 2879040 2323874 3137901 1931192 Cer(16:1) 2002711 1847336 2013256 2102260 2160368 1247505 1455245 1344879 1462999 1081906 Cer(18:0) 256600160 253036752 252275552 238144320 256519984 177515888 173371904 159534992 182550976 195689280 Cer(18:1) 70970088 74902080 71079168 69017184 70680752 49023672 51580632 55963080 49463972 53571608 Cer(20:0) 51456852 50172384 50867132 45936000 48708872 27879834 22890576 17433432 27577230 23730516 Cer(20:1) 5255810 5851215 4929354 5703836 5542414 4215152 3621981 3940289 3684064 2930562 Cer(21:0) 10588192 9449971 10028745 10443979 10652930 8057172 8501795 6244749 8822840 7132691 Cer(21:1) 5774733 5275883 5148945 5323001 5434046 4699433 5944192 5042593 4950629 4620628 Cer(22:0) 19360274 19377008 21740268 19610554 18627112 17473824 16578793 13239862 19206006 16053871 Cer(22:1) 11771626 11425128 11129999 11502686 11259984 7289470 7102849 8981491 7892812 8173471 Cer(23:0) 17347530 16199550 16358166 16382077 15189743 14222667 14159598 9834916 15440280 12679626 Cer(23:1) 23040236 22869490 20906092 21811604 22584994 22719170 23828008 25113588 24890032 25053522 Cer(24:0) 18128962 18654222 19826220 18926750 17690348 13306996 11924333 9375597 13854420 13001307 Cer(24:1) 166282400 162431088 160460336 156422992 163869440 174010672 164767840 163343104 165471440 168370944 Cer(24:2) 11523238 11395800 11250428 11634409 11455998 8421679 9145300 10795132 9723153 9388804 Cer(25:1) 5119326 4820811 5216244 4616461 4927214 10132204 9388866 7962641 9476547 9793109 Cer(26:0) 154522 221400 230305 221686 253000 258629 164763 145852 144153 165196 Cer(26:1) 3496285 3480461 2585318 2666761 2912334 3162947 2380128 2163588 2901021 2593685 Cer(26:2) 867183 1092878 973028 905759 1144867 1088657 986475 959546 1412833 1351435 Cer(26:4) 6193117 7106610 5845120 6413210 5548893 4238518 4361333 3767312 3793143 3688644 Cer(26:5) 4778008 4575352 4160837 3011840 3541570 9620142 8442368 9802328 9747290 8098768 Cer(26:7) 3339307 3695623 4177186 3538876 3779380 2748285 2907072 2671991 3151275 3085668 Cholesterol (-H2) sulfate 588412 642411 704470 564076 499801 306486 397407 280366 363391 306046 Cholesterol sulfate 28467288 26068332 26251220 26793254 26505916 29062400 33848364 27427016 37248096 38977488 CL(aaaa-68:2) 6186871 7934520 6702621 6597870 5468854 5130798 3305602 3587970 4741941 4038800 CL(aaaa-68:3) 16898944 15606062 17084208 14870245 17744896 9505394 7646017 7105855 8557557 9195045 CL(aaaa-68:4) 15217759 11882536 12534096 12776044 13841428 1095733 1357984 0 2440299 3225354 CL(aaaa-70:3) 17478388 17757774 16366483 17170492 19625062 16661286 16460595 12537341 17351566 16889142 CL(aaaa-70:4) 108222056 111197024 105579504 108116488 123364104 71881200 64039380 53317672 71469600 73872032 CL(aaaa-70:5) 46594712 42503472 45512104 41058940 49825152 15907934 13814560 13630043 16655310 14887247 CL(aaaa-70:6) 18160128 15443165 16378031 15443888 20060696 4643637 5317919 4720839 5687288 5481264 CL(aaaa-70:7) 34427704 30450676 36067536 31891768 35205876 14275945 14510339 12594060 14657489 17312028 CL(aaaa-72:5) 55486904 52358008 54056788 50403952 62285080 33142474 27056102 25589826 32161022 34753348 CL(aaaa-72:6) 164949344 168081776 161777920 147312352 186564944 85139352 69576568 68477872 77635256 85870472 CL(aaaa-72:7) 185414640 181719120 187834544 178824960 208950464 76284968 68452216 63563344 73303088 74789432 CL(aaaa-72:8) 109516096 93740344 91045184 90795336 106867520 34588732 28168356 28172324 29065044 32287212 CL(aaaa-74:10) 182597200 164016256 163451552 159701792 184074976 62276108 57466624 50257752 63259752 72626240 CL(aaaa-74:8) 280900352 271952736 272350176 256341088 301202944 138881152 119792304 112937360 141160736 138140672 CL(aaaa-76:10) 313800064 304742464 301574336 302625824 330572160 160235712 153492256 141116256 159788448 173658592 CL(aaaa-76:11) 252867664 221477664 218341776 218272528 244718400 77673648 72363328 68427168 81180392 87623768 CL(aaaa-76:12) 153188256 137522256 138474768 136879232 154718384 62844240 57182328 47140088 61062660 68757984 CL(aaaa-76:9) 36766640 38977116 32998506 37928776 36537448 30627026 32582504 28572596 32070724 35328156 deoxy-Cer(22:0) 1997693 1607336 1940985 1889264 2085216 1907080 2500678 2470670 1892684 1680207 deoxy-Cer(24:0) 8466281 8546869 8893641 8765319 8543161 6564161 7565767 7933146 6455751 7008249 deoxy-Cer(24:1) 1474820 858318 724970 1196918 1073115 1189564 1509308 1864685 1186545 1185827 deoxy-Cer(25:0) 0 233634 277049 395378 0 861461 1071192 990167 726555 855285 deoxy-Cer(26:0) 1601332 1276642 1070632 1004718 287273 3901880 3854391 3572414 3486439 3921335 deoxy-DHC(18:0) 2487376 2956832 2083836 2726601 1903826 0 811597 1413342 990793 744495 deoxy-DHC(20:0) 3151271 3041305 3101119 2159916 3216071 2402824 2227613 2323380 2169993 2180140 deoxy-DHC(22:0) 4272995 3899553 3570395 3514905 4154845 2719280 2553115 2415836 2165430 2435450 deoxy-DHC(23:0) 1621188 1457077 1508717 1528947 1570250 1203054 1437324 1267054 1299039 1266333 deoxy-DHC(24:0) 4157357 3705996 3967796 3737034 3831048 1778156 1721944 1524920 1603516 1731398 DHC(18:0) 677783 891902 878666 388005 791307 457170 418183 0 112385 586261 DHC(22:0) 486422 522488 505311 699529 687078 639796 571210 431658 560537 622214 FFA(C14:0) 5708571 5626260 5443523 4984505 5193493 5056462 5315497 6625957 5878418 5407563 FFA(C14:1) 343421 391846 295299 251368 273785 276313 262389 216206 285093 262190 FFA(C14:2) 174487 207845 134426 117786 147931 69322 64321 58899 107025 76562 FFA(C16:0) 113856648 137688544 119969440 103893824 119198416 101745728 102161608 111745424 113631616 112175744 FFA(C16:1) 8862706 9981200 8695946 9179671 9460584 9519010 9631596 11138042 10528729 10700564 FFA(C16:2) 269348 380974 250676 200518 271793 175886 175477 181779 215325 167821 FFA(C17:0) 3755423 3339296 2786302 2928979 3298904 2567730 2897028 4417431 3116838 2914154 FFA(C17:1) 875263 878865 268061 789752 941143 947603 840510 847480 929203 914240 FFA(C18:0) 269875136 251200704 254014816 225893248 247788576 210623200 211700192 258510176 228622848 225002000 FFA(C18:0-OH) 494476 454680 410257 293473 412617 347415 322849 412233 384618 337941 FFA(C18:1) 165954768 171353072 157650672 154345184 166180096 156195904 153829232 154022368 159964448 154883056 FFA(C18:1-OH) 206627 140424 110213 97048 86356 102196 239723 186407 134668 185090 FFA(C18:2) 16874978 16912178 12830306 14642108 16913732 12612864 13155486 14053247 14239634 12295455 FFA(C18:3) 1154158 1300051 905316 1229879 1104846 696667 772048 844124 798123 760194 FFA(C20:1) 11469282 11445318 9871083 9394471 10210771 9727444 10194203 10232400 10597141 10223818 FFA(C20:2) 3488484 3302867 3171435 2685831 3377922 2843898 2610653 3108288 2989432 2865535 FFA(C20:3) 11452821 13570214 11802922 11289332 12332962 9304837 9681740 9943616 10733209 11059808 FFA(C20:4) 407964480 406480320 414918848 408881088 484545344 356584832 382995008 389520608 379904992 378477920 FFA(C20:5) 2583029 2730756 2199904 2600610 2477420 1633967 2050460 3422056 2782021 2352824 FFA(C22:3) 228686 248443 186168 211716 235854 186842 263307 199501 231276 195902 FFA(C22:4) 7015238 6347057 6370918 6054405 7242126 7173350 7137747 8486330 8265386 9446322 FFA(C22:5) 4259291 4718238 3890323 4185266 4272241 3139234 3743542 4671932 4177816 4211970 FFA(C22:6) 88209344 85610248 77348768 79616968 83069656 71538368 72615648 75663712 79887744 76466600 FFA(C24:4) 582163 684702 436229 632139 663616 492103 322126 326757 386161 524033 FFA(C24:6) 577379 468929 492585 454921 582136 405243 401000 541430 519513 648202 GD1(16:0) 211251264 229904128 237216784 216410512 227131824 159727920 148197456 121465864 140248896 148130240 GD1(16:1) 3005731 3190303 2385953 2609757 2536116 1404951 1425838 984038 917370 814339 GD1(17:0) 34552356 39542340 36237268 34544508 36016992 26156362 23975384 17736916 25468468 23078470 GD1(18:0) 5637024800 6543745500 6479933400 5507693600 5809590300 4970931200 4402602500 3184207100 4246109950 4391272400 GD1(18:1) 1514185340 1642789890 1576272640 1507100670 1563527680 1042184900 984949380 828509060 970004930 1026014270 GD1(19:0) 38922236 48863756 44321544 38900312 40482952 52267052 43100268 21931076 39544592 34584968 GD1(19:1) 4667432 3326073 3348397 3211400 5317673 3956474 3846922 4531101 2868851 4969228 GD1(20:0) 962402560 1053141250 1046397310 871794240 892136190 982554620 828162370 496135936 895104770 817120580 GD1(20:1) 234740224 238610400 240895104 215202528 242166000 189218704 168395840 147939664 174352960 182476144 GD1(21:0) 4949235 8158760 7985231 5612347 4483098 12513838 8884851 5009945 13443795 9208768 GD1(21:1) 9188574 7558835 7205210 8290517 8101295 11280921 11070173 11560298 11925070 10387129 GD1(22:0) 6798013 7291779 6646687 5038453 5093950 10838944 8546669 2381209 8626949 7017434 GD1(22:1) 31187990 31379674 30801772 28407708 32468000 32818734 32959744 24338072 28785228 28232344 GD1(22:2) 1475537 1831814 1376093 1386996 1584179 1042885 1017143 450030 673670 379191 GD1(23:1) 3381587 3381461 3113807 3219009 2761590 7140640 6530018 4464553 5693576 6122741 GD1(23:2) 829209 350786 349004 865590 693507 1080878 1468343 1285876 1049943 1424429 GD1(24:1) 9233691 12632585 10945424 12480666 9010586 17110728 14976157 10640258 13485608 13309664 GD1(24:2) 12911363 11461593 11446517 12701592 10937224 11029252 8994666 8142282 9757176 10270831 GD1(24:3) 1978133 2179929 2588834 2307051 1940551 1084446 1124322 838075 1051900 1101752 GD1-NeuGc(16:0) 420273 495416 531794 440277 437251 133845 146899 144400 113569 252488 GD2(18:0) 4572237 4121598 4453782 3633790 3844878 5016933 4444737 3899773 5410081 3773216 GD2(18:1) 1236084 1317059 801508 1157450 1309612 882846 888496 827373 1149330 1199226 GD3(18:0) 113788536 127556608 130722416 115790712 115836832 96058776 83538840 65510112 85015312 77422256 GM1(16:0) 38998384 44698788 41897900 38674836 43170156 65913824 61497548 41874048 62314544 59603416 GM1(18:0) 597378050 619798850 605101380 570083460 503637952 916971580 790610240 612545340 853214340 826978180 GM1(18:1) 180795568 218831600 195940624 176637616 214341552 257829088 242852592 210230544 212370192 214166080 GM1(18:2) 1313146 1422846 620375 1402824 1212181 1222867 1457313 1606568 1611713 1927884 GQ1(18:0) 72829008 98483608 105015088 82281232 83167792 78041024 63359692 25649618 74946616 56942648 GQ1(18:1) 11258794 12768853 12275645 11900588 12340854 7530134 7431817 5005886 7354339 8085440 GQ1(20:0) 2339748 3858681 4436347 3083137 2984837 3714807 2937687 626960 4395776 2352765 GQ1-NeuGc(18:0) 46530928 55492148 53789424 45612184 48277240 55817444 44660760 23284810 54791532 46436184 GQ1-NeuGc(18:1) 5309040 5901794 5577282 5878296 6441744 5234075 4397349 3534261 4872426 4884888 GQ1-NeuGc(20:0) 7809020 9661365 11268372 8507317 8567708 13652418 12330533 6351426 15969615 10232900 GT1(16:0) 42812192 50495584 50784912 45970064 46426676 38624888 33940112 24422044 35935492 32617362 GT1(16:1) 574450 686863 413914 776707 773670 192772 34402 0 144774 234185 GT1(17:0) 9009636 10462991 9909879 9001808 9433319 8183060 6961891 3463338 7753287 5532762 GT1(18:0) 2925729280 3548261380 3578899200 3064360960 3183646460 2953794300 2577281280 1479239040 2791969540 2494731260 GT1(18:1) 452512480 488656064 499331840 445547136 497392320 327310656 294044128 223815344 314839488 305212000 GT1(19:0) 12629371 16275839 15829235 13609433 13180314 16310758 13816138 6826290 16937940 12469056 GT1(20:0) 362865024 432547104 475989088 376612928 356233856 460207808 388633024 203561696 468227360 330085024 GT1(20:1) 58513480 66200024 62966944 59905868 67792184 51429924 45431472 32030214 49881152 47646396 GT1(21:0) 1811207 1158461 1084351 2370839 1473854 3956748 5361680 4274630 6708235 4512906 GT1(22:0) 7141227 7492276 7346279 7247331 6069840 12398463 13064540 7862588 16583170 9795073 GT1(22:1) 6549027 4972747 4609790 5806196 5447316 7107777 6639330 5614992 6913625 7511579 GT1(24:1) 10710570 12362903 12000832 11763122 11272597 19102140 17101374 12422346 17689960 16605457 Hex-Cer(16:0) 5011532 4382290 4526044 4695707 4432131 4613511 5282753 5125649 6021440 2554295 Hex-Cer(18:0) 23842700 25204750 21707674 22719202 21492472 21641464 21188228 21886898 21293508 20464378 Hex-Cer(18:0)-OH 8582037 8156057 8786234 8249676 7279199 10415814 9815694 7783748 11373406 8052921 Hex-Cer(18:1) 3982030 3998449 4031091 4393078 4324679 7888621 8427354 7745450 8526468 8613285 Hex-Cer(18:1)-OH 3262169 3440510 2796333 3099829 3163952 3771913 5330230 5220781 5042730 4208661 Hex-Cer(20:0) 979211 0 1102387 0 894957 4161196 3516001 2776106 3231780 2261616 Hex-Cer(20:0)-OH 516013 1324264 0 936344 1192914 6771914 8553700 4304726 10999978 5945452 Hex-Cer(20:1)-OH 1549833 0 0 1192847 0 4944704 5738525 6786690 6187023 5901202 Hex-Cer(21:0) 1028228 1030913 485004 1017336 0 7238994 7097375 4281901 7246843 6946551 Hex-Cer(22:0) 96286824 100570656 99049744 90074536 97529904 83215096 72194664 65869064 81188008 59343348 Hex-Cer(22:0)-OH 112478464 114631616 133531992 116182848 93910504 188085488 181643296 134216904 240713328 127326584 Hex-Cer(22:1) 17029280 15008478 14404566 12942414 15719787 36435020 37906444 38972116 37618248 32222364 Hex-Cer(22:1)-OH 15004562 14271010 14517706 14599489 14708142 52689744 52483932 57946828 54912332 52429124 Hex-Cer(23:0) 123107064 128745336 124489320 123777400 120121760 221652480 229100224 189201200 238370992 196368576 Hex-Cer(23:1) 42865832 40448580 37467488 40206404 40205512 143602944 150838384 147776896 144251904 144630800 Hex-Cer(24:0) 793715780 823702020 835761280 764185540 765490500 461992608 445754176 383283040 481926080 399770848 Hex-Cer(24:0)-OH 334311680 336892160 440480768 363136064 304998272 264076400 267051312 260374000 412968608 192362416 Hex-Cer(24:1) 2214907390 2247895550 2207288060 2144626300 2239015170 2957262590 2981489920 3013028350 2887405570 2896652540 Hex-Cer(24:1)-OH 478282816 495769824 469748192 460373952 478726752 1004237250 957830340 938523140 935591170 969536900 Hex-Cer(24:2) 64645512 62561560 59461920 57555808 56947560 125688616 138501760 139650384 133466208 138720896 Hex-Cer(24:2)-OH 3450428 3587992 3998870 3258679 3805292 9685036 9837225 10739536 10216921 11466488 Hex-Cer(25:0) 36566372 36584176 39660576 35361640 33530370 32087444 31607946 24831768 35769256 28701760 Hex-Cer(25:0)-OH 20542668 21116956 23633450 22905106 17608110 29949882 28019002 24540454 47126260 19762812 Hex-Cer(25:1) 126083232 127486720 115269248 122014512 121334960 378024736 380579712 373754976 363881824 377481216 Hex-Cer(25:1)-OH 39825612 43411364 38855284 37948312 40255664 130906528 132381576 116004616 130189408 131529968 Hex-Cer(25:2) 1207499 0 1266799 41016 2127227 6784590 6636465 7567807 5015381 6951254 Hex-Cer(25:2)-OH 4231471 3737842 3616431 3115139 3570835 9037216 10516385 9279462 9231644 10177003 Hex-Cer(26:0) 6807162 6679191 7004447 6249666 5753725 1253777 1262680 1172952 1667659 1022216 Hex-Cer(26:0)-OH 5218592 6051480 5911694 5707187 4611915 2179825 1960774 2086148 5285113 1550936 Hex-Cer(26:1) 73541952 75099632 72248416 68620736 74887248 54399076 54370852 52599040 55795324 53049052 Hex-Cer(26:1)-OH 39790616 43477600 43558032 41633980 43743072 34696136 37460160 34877072 38840568 33208006 Hex-Cer(26:2) 4549969 4469622 3823165 3756686 4013848 2808064 3640457 3936901 3567937 3791725 LPA(a-14:0) 0 513 0 0 0 0 0 5056 8059 0 LPA(a-16:0) 1822828 1584590 1705674 1342637 1375353 2228858 2232232 3712518 2284298 2491612 LPA(a-16:1) 32993 48613 27965 39155 31656 56603 70365 147123 84289 77239 LPA(a-18:1) 3601685 3094562 3119269 2600805 2370043 5485374 5558570 6893180 5393896 5623532 LPA(a-20:4) 869336 614609 721893 610848 614427 900473 969923 1217356 968710 1186841 LPE(a-16:0)-1 81543976 49527232 67722624 47087636 42913484 55186276 56764140 145532096 60941460 69044144 LPE(a-16:0)-2 15580344 9671365 11878892 8668459 7134738 10572787 10261799 23685486 10297005 11512008 LPE(a-16:1)-1 788987 704960 618406 656141 507369 1144786 1181625 1383753 1205195 1211197 LPE(a-16:1)-2 1473235 781483 1117832 746383 616296 1043285 1116539 3783128 1151845 1423190 LPE(a-17:0)-1 2010980 1091578 1479661 1047169 958516 1061433 998400 2590302 1126358 1261663 LPE(a-17:0)-2 273363 125782 211936 106347 93477 122394 124429 496319 141247 158463 LPE(a-17:1) 100298 67323 85134 0 42474 115688 112746 303201 132707 158438 LPE(a-18:0)-1 277171968 182331584 238163264 183205760 169148272 185593968 188615760 391672032 196059840 228612384 LPE(a-18:0)-2 35396696 16602253 29447708 15526999 13562046 17693420 17577760 73101616 18549548 25704534 LPE(a-18:1)-1 63705728 37254952 51132024 34204732 30750896 50575096 52911160 127394896 51852744 57756212 LPE(a-18:1)-2 43101120 36968212 33804576 34205712 28429224 53254944 51491184 55156732 50167664 50742176 LPE(a-18:2)-1 3190628 1476130 2131082 1248558 1072869 1254131 1344099 5461636 1513361 1688272 LPE(a-18:2)-2 1773107 1224594 1302696 1071386 991327 1109030 1143933 2194478 1354199 1167975 LPE(a-18:3) 62430 30445 48750 23493 19936 0 34681 93452 26700 0 LPE(a-19:1)-1 104639 21410 56982 78881 39237 244395 219596 386192 162226 259706 LPE(a-19:1)-2 90657 136085 79979 98468 67592 224288 218272 156720 228701 231742 LPE(a-20:0) 174217 150796 83675 255440 149448 247743 221579 198663 159671 156367 LPE(a-20:1)-1 5966839 3327095 4164621 3521024 2613358 8425758 9060538 13729607 8489796 9637954 LPE(a-20:1)-2 12225039 12527547 7883797 10672513 8298136 24930904 22531182 11880059 21216724 23156420 LPE(a-20:2)-1 1110502 747413 789960 609013 497597 1186878 1287176 1652497 1112594 1151110 LPE(a-20:2)-2 1023252 997606 763437 799467 605983 1001965 929000 639212 852510 899874 LPE(a-20:3) 2668199 1538269 2076579 1456460 1166002 1854191 2080424 4541326 1977510 2300937 LPE(a-20:4)-1 56720428 22546116 42622812 21798270 16327946 23911286 25516552 109917416 26337208 35813620 LPE(a-20:4)-2 72972936 60560256 62513312 57673864 49349148 61442668 62041852 78104568 62066680 70989328 LPE(a-20:5)-1 441268 209161 345367 199844 157883 174163 166362 1118943 282316 332960 LPE(a-20:5)-2 537477 504354 477129 500098 402172 340128 381950 587348 547259 565352 LPE(a-22:1) 766795 595333 539558 585926 412311 846625 843685 782634 758887 861621 LPE(a-22:2) 242459 292712 158899 0 0 283902 254464 0 151877 315132 LPE(a-22:3) 132103 104705 0 153012 0 117793 112718 126490 82392 100077 LPE(a-22:4)-1 16313749 7078875 12507681 7230253 5441306 9832208 10135872 32838824 9458500 14106547 LPE(a-22:4)-2 33203108 31071924 25050844 28473804 23461176 35272084 34153340 28356508 32986338 40842212 LPE(a-22:5)-1 1674661 594472 1119582 595040 420553 408340 580778 3662780 568220 820569 LPE(a-22:5)-2 4048582 2640109 3081765 2407934 1808461 2163267 2407587 6618071 2690955 3025762 LPE(a-22:6)-1 128270000 57531592 94683040 53574920 42630680 57955700 61655188 210603744 64641632 82439224 LPE(a-22:6)-2 170408768 147593712 139027456 135524384 121758424 136951712 137551856 161282144 141059616 155256656 LPE(e-16:1) 42849948 25432188 39317692 22487646 20056856 21982558 22138674 62908560 22537506 25837640 LPE(e-17:1) 1443345 659192 1120597 686499 557878 929397 788698 2761942 984410 932101 LPE(e-18:1) 113231048 67975336 94343816 64824128 58151768 65109068 66995048 173148176 67504264 84512360 LPE(e-18:2) 65986304 43662224 55687252 41650720 40677444 85015136 84252376 147085280 86808448 91970712 LPE(e-18:3) 792440 439373 699907 447799 401809 381724 294844 1005086 321311 371730 LPE(e-20:1) 2680215 1999535 2418382 1915210 1864051 1969124 1988739 3553686 2063581 2450461 LPE(e-20:2) 840120 446370 638131 376674 517557 2068825 2360564 4031047 1924443 2630786 LPE(e-22:2) 153803 122751 131588 122467 77759 242582 177212 403336 257015 313532 LPG(a-16:0)-1 1881626 1342421 1619879 1141341 1059773 1821053 2234379 4048359 2267311 2373159 LPG(a-16:0)-2 2042020 2285124 2143757 1791163 1918941 3554401 4292680 2425185 3787045 4065161 LPG(a-16:1)-1 401209 254998 313413 188916 190652 453761 594937 1524819 565347 633772 LPG(a-16:1)-2 701593 892202 809248 844209 762319 1510853 1730038 804572 1549064 1609111 LPG(a-18:0)-1 2038992 1658199 1529948 1254647 1081055 2096952 2306683 3795593 2566779 2678295 LPG(a-18:0)-2 1019285 1093177 988385 1012083 973620 1607443 1845671 1263870 1711836 1769993 LPG(a-18:1)-1 7895938 4703627 6649010 3975326 3556621 7913951 9679472 19359008 8612636 9352628 LPG(a-18:1)-2 15886407 17444468 15745996 14867988 15772292 24367554 28264032 15713299 24274046 22774944 LPG(a-18:2)-1 1397286 762751 983530 467681 521956 837261 1092264 2381322 1017172 1056508 LPG(a-18:2)-2 3441033 4286160 3193228 2819175 3373756 4496848 5134781 2302204 4338173 3796582 LPG(a-20:1)-1 448247 205122 280424 156987 182565 580231 644493 1147395 553476 657996 LPG(a-20:1)-2 867187 970547 815584 801450 734802 2161671 2133492 953939 2062123 2022812 LPG(a-22:5) 80683 58592 99269 54901 84205 170086 283615 221682 215294 320275 LPG(a-22:6)-1 11784022 5746603 8849101 5435491 4060025 8950900 11128556 27684918 10668840 14498510 LPG(a-22:6)-2 24362882 26013748 24254036 23299834 24031800 33548360 37443980 20648608 36517968 39841344 LPI(a-16:0)-1 1491705 1395509 1537453 1273268 1347638 1665949 1952763 1499229 1705995 1943139 LPI(a-16:0)-2 7971327 7525841 7912601 6057132 6846655 6302311 6865212 10930195 7039991 8226786 LPI(a-16:1) 59778 23095 44035 9873 9471 30618 49603 86594 43428 54578 LPI(a-18:0)-1 36888232 35334736 34063400 28105088 30553844 25240688 26515498 44799768 26915696 30294372 LPI(a-18:0)-2 2089033 1200438 1937816 1083262 975022 1241599 1259655 4331848 1215979 1549697 LPI(a-18:1)-1 9776450 9654728 9290662 6976382 7898075 8912753 9227457 12637083 9000385 9041806 LPI(a-18:1)-2 3135014 2780450 2898055 2645187 2718649 3477833 4187360 2496170 3839731 4121285 LPI(a-18:2) 186579 254233 23203 115912 162830 181166 154558 200602 86578 150140 LPI(a-20:3) 186035 230424 133503 197036 177032 150401 165578 80178 221347 272247 LPI(a-20:4)-1 17366712 9678796 14163124 7606805 6214255 8313492 8427974 33959140 8918759 12467751 LPI(a-20:4)-2 38700608 44593664 38215532 32860362 34153584 34032524 34635616 33478974 35705736 39462972 LPI(a-22:6)-1 1718205 936825 1306196 607920 544982 1064523 981228 3424982 1170053 1569594 LPI(a-22:6)-2 2743358 3518627 2524916 2463845 2725982 3840172 3735845 2257385 3880480 4498212 LPS(a-16:0)-1 1612031 1062261 1302363 986571 988088 798989 816499 2029289 874056 992187 LPS(a-16:0)-2 129098 76141 94215 59587 67024 58397 68913 188757 53906 67215 LPS(a-16:1)-1 31778 21956 33352 9379 17041 14395 29361 160549 21580 42487 LPS(a-16:1) 28210 20974 27356 16043 22828 50175 70840 149506 58834 77259 LPS(a-18:0) 53831792 31890836 40500256 30463258 27364216 30118876 31061588 87449896 32165050 36437916 LPS(a-18:1)-1 9539805 4425082 6837382 3905263 3456527 6349483 6288701 26253668 6517062 8008462 LPS(a-18:1) 10685599 8478484 9583178 7483546 7380644 11647680 11825665 17784872 11739878 13689607 LPS(a-18:2) 176050 85843 125957 96348 60841 131772 102413 378064 81541 112695 LPS(a-20:0) 266440 29376 181591 0 0 150696 147580 359324 124157 122826 LPS(a-20:1)-1 267575 148604 209547 128007 101671 182991 180495 668084 145081 214367 LPS(a-20:1) 150909 112037 132806 97869 95079 110976 152287 198148 100965 138009 LPS(a-20:2)-1 96551 52400 58741 34910 41053 57813 56641 184461 48760 41360 LPS(a-20:2) 71530 35723 59010 27857 38683 47651 27558 82796 30671 44775 LPS(a-20:3)-1 124445 61926 87905 64266 46770 56799 68172 368870 59078 117994 LPS(a-20:3) 187426 157316 185224 144612 131281 124648 115475 255857 121119 153928 LPS(a-20:4)-1 959204 269621 633926 284503 244308 500693 476533 4218665 515786 777966 LPS(a-20:4) 2151807 1257636 1833416 1368466 1156534 2049033 1947874 4244803 1681030 2515184 LPS(a-21:0) 198111 282950 86912 327606 241485 227601 140545 132144 124126 181257 LPS(a-22:4)-1 1572412 995254 1331513 892375 807969 1267311 1163340 2693805 1156030 1511950 LPS(a-22:4) 2280494 888657 1628823 910454 694523 1021290 944720 5237369 1083577 1526132 LPS(a-22:5)-1 172629 33702 94704 33502 29203 35540 38274 343392 34688 45779 LPS(a-22:5) 581194 273926 446838 290815 223414 232216 206021 774053 248083 279368 LPS(a-22:6)-1 24452806 9140742 17330952 8119302 6378344 8345820 8031143 55403040 8937154 12933418 LPS(a-22:6) 43230488 32919334 36889032 27501608 28838030 28507700 28432842 48266552 29977218 32727092 LPS(a-23:0) 420231 428151 312719 555039 0 417708 274929 324698 283200 306260 LPS(a-24:2) 1453414 738740 1293621 693599 626959 731885 776713 3398643 734638 1117366 LPS(a-24:3) 27694068 10823971 21696532 10574838 8430873 11856346 12315768 70481144 13037440 17999334 LPS(a-26:0) 1633636 851727 1180441 1178288 961308 1984035 1769570 2053274 1883814 1919094 LPS(a-27:0) 0 121900 0 0 0 460888 481111 714329 422443 544816 LPS(a-28:3)-1 127074 40664 101812 0 13746 60994 51241 366743 0 65508 LPS(a-28:3) 149437 77870 89563 0 64368 50443 20857 117568 0 32436 MLCL(aaa-52:3) 1665983 1837404 1138149 1309180 1033954 1880260 0 0 0 0 MLCL(aaa-54:4) 4030446 3535901 2683129 3193847 2934324 2134734 1447535 1748215 827026 1362934 MLCL(aaa-54:6) 60294896 71217136 56934436 65810052 66974540 30265204 38252120 40027088 39231768 46737584 MLCL(aaa-56:7) 18678098 19366576 13837448 19611064 21432454 7642529 9989457 3836072 13081621 11808033 MLCL(aaa-56:8) 41334980 40522720 34783728 35763064 41779108 22644218 34040096 24157946 21813772 28174814 MLCL(aaa-56:9) 20310434 19610192 20031244 15292778 19225962 9458181 6747920 2688448 10997174 8047858 MLCL(aaa-58:10) 59034452 63917416 43019424 48739568 59776216 27209704 14481494 21430820 27739896 29094260 MLCL(aaa-58:8) 1547377 1297545 1226421 1304337 1206214 444258 1054308 666993 793743 1435881 MLCL(aaa-58:9) 36361412 31064402 24870284 39327904 42182480 22347514 23729374 18349096 20403228 33124692 PA(aa-28:0) 318939 369715 279737 291126 349386 496611 569963 625662 625219 641541 PA(aa-30:1) 293766 309231 329669 333236 306676 478107 512873 600098 576317 553340 PA(aa-32:1) 17487848 14703189 16305626 15151527 15003134 36406964 44629348 49849520 44460000 45944576 PA(aa-32:2) 473265 0 564883 471468 523445 775614 1012619 854159 745914 805194 PA(aa-34:0) 16761018 18037270 35283520 12540757 20679928 49514232 27955856 8804059 51803200 21611538 PA(aa-34:1) 179342112 175772544 164548976 160653072 176333728 318272480 350886016 317786400 335386592 341804096 PA(aa-34:2) 18675876 22970608 22130244 18611614 20643314 33649332 39791244 40573300 34080784 33988964 PA(aa-36:1) 606229310 625542780 1253449340 547071680 622181700 2148767230 1311394050 691776830 1960056580 941234050 PA(aa-36:2) 268435072 274555776 354566912 263309504 255815232 261164544 251948512 246610896 268505536 207274816 PA(aa-36:4) 65819496 78365784 80827600 58469360 79451168 119204496 146378800 138339376 114655112 125538800 PA(aa-36:5) 2300180 3032650 1602622 3301193 3234228 3870244 6076719 5018806 4858448 5049225 PA(aa-38:1) 5188944 5129758 4846098 4372548 5502140 5718194 5741155 3685930 5411834 5211406 PA(aa-38:2) 19695028 19135388 17324298 17448244 18827666 26541402 23843614 19890208 26124772 26344842 PA(aa-38:3) 8413082 7180644 18420896 5807676 6385153 27766264 9770334 6901806 26303738 10434558 PA(aa-38:4) 1463616380 1418022660 1972627070 1539187330 1544725760 1270525950 1064189310 1051356670 1321876350 1071851010 PA(aa-40:4) 10813884 10534296 9682925 9124735 11101116 24215850 20139756 19179392 22869268 26951222 PA(aa-40:6) 90459848 98039408 146003136 88791168 88819488 60878344 51638216 56094576 69474552 52107136 PE(aa-32:0) 10378967 12942376 13719063 11260650 11757745 9966769 8916300 7002738 8926028 8476092 PE(aa-32:1) 56865964 59731732 55073000 58577776 63546316 80812160 95063704 102738512 99607968 97424600 PE(aa-33:1) 2109506 130827 1148785 1776575 2900057 2689600 2594955 145190 3215217 2727603 PE(aa-34:0) 2786320 4817180 6027634 4777584 4946179 1759900 2024168 648765 1670061 649858 PE(aa-34:1) 498412352 499275520 497857920 484890464 505730688 542501820 556524990 546382530 548591740 545714180 PE(aa-34:2) 170389968 174571136 175926704 171892304 175069536 177893984 179963200 191049728 180244384 182654816 PE(aa-34:3) 6545620 6933776 6123467 6778894 6822467 4468637 4605575 5318855 5223010 5436480 PE(aa-35:1) 1055477 1019061 804872 970301 880094 1630609 2270362 1799857 1498345 1893293 PE(aa-35:2) 4666547 2999425 3361187 3636126 3124905 6885141 8077725 7377642 6809319 8562324 PE(aa-36:1) 593960060 597109060 576883520 570511230 576938750 760254660 747473790 712674620 743712510 765896450 PE(aa-36:2) 444407040 443284768 436130336 434048768 443189600 538029500 560153090 554064640 535660384 526427872 PE(aa-36:3) 175539424 183926176 161159104 171445136 175138784 166674000 178067088 183295744 180944448 184849248 PE(aa-36:4) 960112640 986712320 980039300 1008582660 1026141570 1038341890 1024223620 1053656130 1044466430 1087450880 PE(aa-36:5) 67707376 71555984 71606576 80957216 77611568 52977560 66846056 67325544 73888800 74496480 PE(aa-36:6) 5346940 5507025 8070739 5598533 4791907 3750396 3054966 3636211 6717213 3286505 PE(aa-37:1) 3370846 3647283 1958459 2806217 3110590 3965937 4619515 4023914 3734053 5545437 PE(aa-37:4) 19670740 20383292 22155242 18030606 19704510 20254166 18811192 21555310 18170644 17073950 PE(aa-37:5) 2531762 2744265 2288072 3377313 2538604 4415193 4929292 3199272 4450866 5539520 PE(aa-37:6) 11173457 8711279 7291596 6694625 6952228 7433405 8430451 9007655 9083175 8289654 PE(aa-38:1) 122518216 128602624 118901896 122790656 126295456 83860632 79514336 69498632 78496576 93349680 PE(aa-38:2) 104144728 104126360 92762000 100603104 96668200 93917376 99794520 88246216 91218248 99260208 PE(aa-38:3) 61076356 64793864 66282920 64301940 67178496 54194400 59755504 52410920 58496512 57326168 PE(aa-38:4) 2502318080 2557682690 2645952260 2585584130 2656508160 2445246460 2363010820 2421973500 2335353090 2409470460 PE(aa-38:5) 1500910340 1522612860 1396724100 1493214720 1515137410 1697376510 1720520580 1575335940 1702994300 1914850180 PE(aa-38:6) 5244357100 5290803200 5194515500 5179378700 5374332400 4984933400 5030841300 4830623200 5036613600 5169864200 PE(aa-38:7) 64918328 64045520 68699840 72209680 67042084 60983320 67437520 67401520 66000204 75773960 PE(aa-39:1) 1719615 1580787 1736917 1328016 1789070 2848163 2610096 2185666 2844312 2842433 PE(aa-39:4) 4454801 5012387 5352639 5582613 4375098 7611781 7136705 6164426 7132258 7403806 PE(aa-39:6) 96616280 93642416 88338944 85575096 91123560 73946400 75120832 76632960 76568136 73472368 PE(aa-39:7) 8765527 8757317 7373849 7527002 9406204 9727172 9156088 7939675 9644848 9310324 PE(aa-40:1) 30230112 30023624 27604350 28097952 29650164 24491470 19449790 16650139 19387992 22884742 PE(aa-40:2) 43678352 44963780 37304740 40610324 43125104 36685224 34307824 27642612 30370442 39006456 PE(aa-40:3) 7160894 6985897 7790366 7761861 7741145 7677132 7955130 7671640 7621051 8254539 PE(aa-40:4) 900021890 937729280 903100420 936337020 911651460 814882240 791024830 804108990 793806140 923761280 PE(aa-40:5) 33125468 33075282 32800840 35310504 35815708 20637416 24114568 20452646 22402232 25496564 PE(aa-40:6) 4710667800 4678555100 4716746200 4505442300 4681822200 4323395600 4159480320 4322668000 4208640510 4211484420 PE(aa-40:7) 1934893180 1920672510 1869666050 1850379390 1893500540 1746553600 1746621570 1694241150 1740126980 1649517820 PE(aa-40:8) 292427104 285998016 231777632 260705968 277621856 219851040 218372272 189201008 238693920 216505696 PE(aa-40:9) 4410443 5058686 4554373 4781209 3867364 1313485 703363 978555 1576057 1834148 PE(aa-42:1) 15014202 15310767 14730454 15055584 14175288 9226267 7927754 6033430 7612926 9095804 PE(aa-42:10) 292020032 286739584 258402608 299712704 304079584 273211360 286850592 231539648 301018880 335301760 PE(aa-42:2) 17294190 16165092 15973397 15881198 16566320 15790102 13988135 11912614 13571876 16506960 PE(aa-42:3) 1658356 1791132 1267693 1574166 1565016 584576 1384401 1037707 1025602 1598024 PE(aa-42:4) 40947140 40779552 41589104 43957496 42696796 24485340 22944328 23213714 24053022 29574150 PE(aa-42:5) 21985912 20706600 19169524 20214808 21105502 14993866 15234792 16104873 14402792 20508016 PE(aa-42:6) 18116734 20349284 19318380 20812440 20544328 15000567 15365736 16206232 14287104 16973134 PE(aa-42:8) 74464512 77473312 67204208 74892704 78028192 60680640 61119288 48665304 60411284 70866024 PE(aa-42:9) 61217272 66714024 58270760 63307140 65890144 52975856 56243848 41397712 58300336 64657108 PE(aa-44:10) 476654112 492478240 449088896 477399072 469505440 433077568 435596512 340188064 447500800 563095490 PE(aa-44:11) 96099568 101900536 89444264 99559320 101988480 82778824 97561968 72071480 99521376 114018480 PE(aa-44:12) 326633696 326716096 306155808 325616672 336866944 283835520 303010432 240659072 317158848 352915584 PE(aa-44:4) 4912673 4463295 4768193 4609104 4876486 3677283 3250976 2737706 3252280 4658160 PE(aa-44:5) 2676573 2868657 2406185 2684800 2591861 4142451 3169005 3345408 3575940 4487129 PE(aa-44:9) 1249278 1310050 1154387 368061 1363704 629365 1299314 840491 836587 1354584 PE(ae-32:1) 6973872 8231346 9199803 7511881 6816078 4627664 4362300 3459435 4218161 3353871 PE(ae-34:1) 18694634 21395364 20359724 18921470 18981432 8285411 9277177 6190047 8105428 7952635 PE(ae-34:2) 922849220 930803970 922951940 911516670 899987520 780829820 762980480 746129730 741816770 672005120 PE(ae-34:3) 105247032 102391936 103823520 99192216 102316112 199109952 221980336 213931104 212244976 193872736 PE(ae-35:2) 43687552 45287664 46474020 43505464 42153132 52908292 51392984 51830504 47733980 43993004 PE(ae-35:3) 3976555 3953314 3911053 2965582 2877691 12414980 11277157 11222634 9243413 8596294 PE(ae-36:1) 1794259 2235717 2313378 2525241 1778014 684994 660775 260391 700281 430680 PE(ae-36:2) 1484359810 1484361980 1473554820 1443415420 1418485500 1111113980 1079166080 1113341310 1029602110 975113540 PE(ae-36:3) 1077993860 1012395650 1027342980 978992640 994746620 2112120830 2029653120 2028798720 1993166080 1804999680 PE(ae-36:4) 100276144 96524400 95925088 97699328 95290960 84325200 83688224 93680176 88551448 77417216 PE(ae-36:5) 1208629250 1222009860 1308439040 1279160830 1224486910 973349820 972492740 1023125060 990246850 930433470 PE(ae-36:6) 30763940 32159304 30905756 33183974 32486076 24888794 27148032 28554920 29263306 28215014 PE(ae-36:7) 2446723 3434263 3387040 3564422 2308703 4430538 6113383 4633956 5987401 5476073 PE(ae-37:2) 45370976 47375660 41831720 41461036 43597576 58354740 52062836 50102888 48121428 54095672 PE(ae-37:3) 18312614 18283678 16860458 16452409 16781688 51057788 47092756 50339184 45730376 49216432 PE(ae-37:5) 17337112 16047063 17269068 16478062 17052748 16133214 15525092 17174678 16028081 17747582 PE(ae-37:7) 2310372 1952787 2044636 1859779 2439569 1806173 1933198 2046391 2645719 1994001 PE(ae-38:2) 1160375040 1145422080 1116840450 1102024700 1118874110 1245133180 1117277310 1050234240 1113329020 1124395010 PE(ae-38:3) 685503040 674365890 664263620 624675140 652667010 1250253310 1229691780 1264306430 1176132860 1147558270 PE(ae-38:4) 229903904 230057280 218060704 227175712 225383744 182725248 184813792 183828064 181065888 187249472 PE(ae-38:5) 1434554240 1449870590 1472999040 1457149060 1448493820 1122325120 1151699970 1166650880 1116125700 1179473150 PE(ae-38:6) 471187616 465596736 438566720 451668608 449092128 644614590 663113410 568515070 659935420 686972800 PE(ae-38:7) 5065834500 5069860900 5086976000 4951449600 5092602900 4334049800 4409499100 4541252100 4471514100 4468494300 PE(ae-38:8) 32452244 32735226 29377880 31347996 33001664 32737632 33364744 34392820 34835192 37036032 PE(ae-39:2) 21653600 22211132 21712914 20918702 21233318 37497124 33200416 28210182 32266562 35289660 PE(ae-39:3) 18692328 18948658 17517846 17872566 18818412 59869884 57752880 51499188 53817864 60835368 PE(ae-39:5) 31461308 31541630 30455878 31483600 30043036 33615904 32254928 34310080 30933604 35523644 PE(ae-39:6) 2059034 1762796 2817164 2445197 837554 4356790 5087672 4093325 4426240 5519934 PE(ae-39:7) 64293904 63023256 62125460 57291040 61502640 52073640 55259428 58618984 52114816 47725076 PE(ae-40:2) 168277184 175473616 174380880 165055968 167310272 110812840 95155000 84438576 98265880 107683136 PE(ae-40:3) 336497984 310380672 306071968 303255040 314184864 424938176 403703712 370949632 379466496 428343808 PE(ae-40:4) 107492928 114432152 104988128 109410768 109498576 93319168 93136272 92736800 88339336 102562528 PE(ae-40:5) 1249457280 1284677250 1265240580 1300051330 1289544320 860857540 859004540 924957180 849043460 1000999810 PE(ae-40:6) 431078656 428379520 417871616 416177280 422683712 525428608 513067264 486094912 507849152 565441280 PE(ae-40:7) 3618955010 3502852610 3516466690 3423378940 3609140740 2927894270 2854500350 2961183490 2923570690 2981177090 PE(ae-40:8) 1822698880 1781474820 1758499200 1710349820 1813115140 2164240900 2141813380 1956700160 2130843010 2009523710 PE(ae-40:9) 61582568 62681224 62014328 60785824 61687792 53478092 46577616 39077464 52525472 52346576 PE(ae-42:7) 143016096 148835264 144858992 147976016 148864640 90725128 92205712 96019352 88428992 103352336 PE(ae-42:8) 19067810 19698624 19653812 18474864 17731292 23916658 25047954 25509048 22798868 23237924 PG(aa-32:1) 1938354 3041957 2909428 2748137 2856770 3678510 5079462 5790418 2983335 3873887 PG(aa-32:2) 479262 395967 879969 377945 552523 873754 635715 814398 595018 936927 PG(aa-34:0) 498690112 496368512 495102464 482857248 490159968 158307696 143930912 149645424 155047168 149330272 PG(aa-34:1) 535656512 531449024 511078848 603440450 479101728 589004420 592961980 589884030 567509310 540506430 PG(aa-34:2)-1 69653 44270 46865 45308 85342 70698 198936 268168 61436 38679 PG(aa-34:2) 38061772 33601448 32342202 33041286 33450738 42689616 40600484 51303720 43395892 39186036 PG(aa-34:3)-1 3953491 3784642 3027864 3105301 4078969 3516162 3891802 4391229 3122369 2951625 PG(aa-34:3) 3516296 4337108 3265583 2929072 3214948 7763786 6149678 2664516 7820436 5116767 PG(aa-34:4) 476349 458240 174907 224512 552525 1861067 1481108 772758 1432818 1356638 PG(aa-35:1) 7571209 8928208 9724376 7630193 8100729 2368778 2627351 2470362 1970704 1685235 PG(aa-36:1) 1246950400 1212374020 1429111550 1273941250 1214492290 816949250 731042300 724560960 842369220 719042240 PG(aa-36:2) 14884236 14916733 16294130 17643214 15869643 15835207 17584448 32447576 18711960 12755038 PG(aa-36:3)-1 24523180 23075354 26082808 22556626 24342568 21360202 23167422 28516640 25139456 25396432 PG(aa-36:3) 71625936 77482104 57112984 37275784 73708944 168557328 109269016 42153220 130913816 109043712 PG(aa-36:4)-1 392436672 399539200 400079936 376071296 380188192 373735648 386205856 365627008 388579328 406005376 PG(aa-36:4) 31459104 27296876 27592368 23520060 26219224 65223912 68801664 43652080 63897508 71904584 PG(aa-36:5)-1 38233364 38685884 38686784 33890712 41646148 33377576 41273308 32255944 39766256 41554644 PG(aa-36:5) 4013597 5016079 4446439 4354096 4755545 17248990 14059768 6613501 15693932 15941050 PG(aa-38:2) 61695032 59177008 71086032 55651748 51736248 140646528 114173456 94037808 117798696 91499848 PG(aa-38:4) 1874510980 1869424000 2127604480 1874940290 1712733060 746471620 739266300 832418940 723869630 700958780 PG(aa-38:5)-1 38007320 40852684 39550292 42840416 38277252 40433800 49760956 54551592 39561340 39991984 PG(aa-38:5) 17204254 17674732 23440240 15030695 17709290 6629983 4539985 2912691 5555942 3515029 PG(aa-38:6)-1 58422192 48376980 49025740 49025852 47147720 61559832 60648716 42661844 64667020 69274024 PG(aa-38:6) 62678952 58376916 52752164 54441864 59211360 94194352 104920688 90152800 100143032 98793736 PG(aa-38:7)-1 4180388 4291762 4065703 3951719 4760157 6336121 7234987 6374194 6041484 7325131 PG(aa-38:7) 10148497 13086770 10526433 10793551 10705805 24751250 21343364 10069081 26501626 23322146 PG(aa-40:6) 4001318 3814777 4086313 3027005 4537190 4738113 6935892 5355899 5340318 5259671 PG(aa-40:7) 500120352 518635392 474500896 446953728 543987460 536881090 482594816 254929184 500853248 533701184 PG(aa-40:8) 124701992 117139968 104051712 92314896 103228440 225928352 212975136 270139392 200995136 228547440 PG(aa-40:9) 10605139 12914564 10406085 10132477 9579305 24004568 20345136 11322595 25864608 25855144 PG(aa-42:10) 244271712 227690352 221427328 194504912 221840032 350961728 331539936 375021312 320260448 359878464 PG(aa-42:11) 24578500 30081730 25212166 20598346 22803700 43704560 41019344 21240382 50791948 49852408 PG(aa-42:8) 12929569 14849516 13629001 13028404 15590544 49022064 45742092 30860232 44289432 56833612 PG(aa-42:9) 90852416 106267888 91781496 93820232 111535312 139940368 168170400 76947336 150188368 173525264 PG(aa-44:11) 21325872 32001492 27540470 25417560 33978868 36592448 62859416 46625000 37391540 48217320 PG(aa-44:12) 814472770 840241660 808548610 751972860 823927170 1475892100 1464823170 1417148540 1470649470 1544498050 Phytocer(22:0) 4574122 4685474 4518853 3932772 4344321 5153770 6151456 5728971 6621111 6365783 Phytocer(23:0) 1598050 1483777 1459720 1537693 1568138 4651614 4664836 5134517 5323350 5854177 Phytocer(24:0) 11797170 10877172 11435918 10823801 10714365 6409316 6660461 5297988 8177275 7345568 Phytocer(24:1) 9909427 8633998 8089495 7053287 8267332 9795312 11230914 13372973 10737765 11258850 Phytocer(25:1) 697 66744 8856 4353 53026 1741520 1572890 1372495 1419479 1590260 PI(aa-32:2) 212017 195309 188634 155364 136654 279121 213685 125251 264933 221514 PI(aa-34:2) 210990064 212355488 199681472 192799936 214084896 200993600 189795984 130627504 194730304 184625712 PI(aa-34:3) 14454275 12331276 11428452 11903435 11838709 8645205 8657702 5662559 9233793 8753206 PI(aa-34:4) 3200597 3005645 2872700 2632979 2732043 2170063 2141494 2117914 2829258 2569588 PI(aa-36:1) 3883626750 3578246140 3570417660 3452758780 3495585020 2576865020 2565343490 2518917120 2577698560 2621263870 PI(aa-36:2)-1 58493624 60535520 60197580 58761892 57045572 16126528 14583649 12898299 14505376 13484746 PI(aa-36:2) 25528312 23516498 27541140 23830300 25115296 15067779 13686467 11459134 13622932 12342894 PI(aa-36:3) 51840968 62010496 60646032 76213760 53506464 70074936 94484832 119655408 66213776 69840200 PI(aa-36:4) 2017049860 1903990530 1915798020 1762676220 1880498690 2078896260 1949299580 1884396930 2252875010 2262972420 PI(aa-36:5) 165013824 163501104 151040208 169830400 173406368 132830112 155480992 116965968 175965680 171764976 PI(aa-38:0) 1341709 843629 1244964 844480 352493 803586 675444 1120045 652297 1012757 PI(aa-38:1)-1 2740735 2525328 3064757 2866444 2739456 1290281 1264278 1031926 1244902 1820966 PI(aa-38:1) 4325049 5288130 5076045 5081310 4440545 4487216 3235233 2648038 3655034 3887465 PI(aa-38:2) 6378537 7792355 6886343 5960817 6720510 24484428 21912414 20750654 23178472 25740748 PI(aa-38:3) 1174445440 1268450300 1257848320 1255910780 1160470400 600198780 642170110 620966850 626095680 646428990 PI(aa-38:4)-1 4650957300 5071429600 5376250400 4997507100 4823897600 2251118850 2334981890 2604679420 2199005180 2447090940 PI(aa-38:4) 7503649300 7558498800 7200116700 7088025600 7739750900 7170391600 6948370900 6120203800 7115146800 7396703700 PI(aa-38:5)-1 2245128 3895673 4615631 4901589 3183296 2935365 4152257 10499510 3066319 3391200 PI(aa-38:5) 2198715390 2300124670 2172227070 2149560830 2167044100 2445214460 2355260670 1979492100 2339821570 2212575740 PI(aa-38:6)-1 1066538 921515 1306960 772213 819633 876209 140990 1537898 554529 706568 PI(aa-38:6) 609948480 568558210 500376096 458056896 551888060 548852930 533468096 441197888 573869760 584619140 PI(aa-40:2) 2221748 1493958 1457083 1536920 1567658 1427887 1668915 1404326 1935421 1879884 PI(aa-40:4) 23097620 17483674 35722444 16699150 14226849 33126298 6712245 8292527 37690864 10795547 PI(aa-40:5) 186164400 189308608 202353888 197517488 167217008 67738768 65456260 65533528 56443560 68966136 PI(aa-40:6) 240135712 247430400 238182848 231053776 227957104 201316592 214993584 209689728 209701616 224633600 PI(aa-40:8) 188771936 152418448 130513096 148816672 167779616 147538304 154988688 86730200 166674400 195723904 PI(aa-40:9) 4707148 3746432 3244292 3985971 3029054 2132932 2469497 2708149 4036683 3414517 PS(aa-34:0) 22881490 25617724 46834492 24247312 19781028 32753214 21613116 11227572 38664000 14181693 PS(aa-34:2) 24067694 28569298 31978986 27470912 31500382 27961248 32660504 33845792 30683336 30386890 PS(aa-36:0) 264091808 257882096 257830640 270926464 279341760 267208416 303010560 299298432 280297760 300507264 PS(aa-36:1) 28420077600 28205457400 32879689700 27128176600 27439894500 33685608400 30336495600 26707550200 32354095100 27068874800 PS(aa-36:2) 28523458 26802046 36825952 29406500 29698798 19335980 21659932 30424480 21593928 19451442 PS(aa-36:4) 84212088 72075248 72987464 70129912 75209424 62003772 51973824 55969088 69369456 64261424 PS(aa-36:5) 2928295 2562181 2798518 3429242 3475305 2162361 2362115 2645476 3096836 2478785 PS(aa-38:0) 977103420 973585020 983679620 972663940 957681090 1005317060 1048301180 1085116420 1001391170 983989630 PS(aa-38:1) 621137860 635095300 652836030 604393660 592362370 502343136 446878656 439432576 452170112 418726176 PS(aa-38:2)-1 62953288 56994880 75556568 55203720 53434296 86806688 33182648 38048328 79906384 33964512 PS(aa-38:2) 870318270 805769340 1161622780 747010050 844691390 1631494400 1240102780 817768510 1476093180 1003676420 PS(aa-38:3)-1 57436008 61347656 59544944 57734988 53251972 58708516 47063144 40704384 51936848 47767816 PS(aa-38:3)-2 4288270 4320696 3281146 4311917 3951623 2359222 2467915 2522630 2297378 2324173 PS(aa-38:3)-3 1104469120 1155245700 1382830210 1236154110 1157417730 541493250 499984576 483932224 507408000 438647296 PS(aa-38:4)-1 240739280 272549376 664372100 263807872 260556704 551086080 244059504 151649056 505869696 187818256 PS(aa-38:4)-2 96696912 99503000 122250056 99721528 91837344 58854176 57587380 75082048 55745576 57245544 PS(aa-38:4)-3 505926304 480814656 469176896 470455872 503475712 738716420 738474620 705434370 760945920 814622400 PS(aa-38:5) 153471296 160532256 168183840 159901920 150834272 147266176 147984016 136654560 161840544 164186720 PS(aa-38:6)-1 7289021 7864197 9561389 9438302 6308926 1815079 2623372 4801261 2677612 2115837 PS(aa-38:6) 393636640 362283136 371312320 339839968 379839552 220146688 226328736 190355888 254981280 250233056 PS(aa-38:7) 4423132 5779109 5063161 5166665 5331184 3534548 3205868 1994357 4088161 4016662 PS(aa-40:0) 848413120 839472130 902596670 848474300 843021120 888167940 866845250 917082050 853317570 847117310 PS(aa-40:1) 208358400 208752528 202907360 214209040 208352992 215922768 223529536 221935184 216724592 194976224 PS(aa-40:2) 52924724 51559232 52379292 54531896 49356112 49169460 56465040 53434824 54047056 53067132 PS(aa-40:3)-1 573662460 580117060 584960510 591897340 579517500 552813630 586056450 568468860 572858300 607197440 PS(aa-40:3)-2 106416128 118827752 131213472 111299120 106369976 101778752 81725744 86987784 77027600 87466088 PS(aa-40:4)-1 28071520 28228882 29272880 31512648 30939792 21508552 22434332 22400036 24707708 25600544 PS(aa-40:4)-2 7420936700 7541826600 10753176600 7604710900 8236058100 11810142200 8582938600 6345623600 10650434600 8681985000 PS(aa-40:5)-1 10959544 7899832 23579742 9096413 6416395 5002716 3183880 3379692 4563911 3868156 PS(aa-40:5)-2 2724039170 2861404160 3257089280 3052962300 2875737860 800349500 869918460 884153220 844863620 854676930 PS(aa-40:6)-1 512352704 511787200 757488450 518390912 561512830 440795808 360439264 280735808 448938688 310412000 PS(aa-40:6)-2 4074411520 4150719230 4546330100 4123125760 4086650880 2434230270 2559723520 2849367550 2558252540 2598574590 PS(aa-40:7)-1 5200142 10053807 5728901 5563887 4691978 8651355 9426023 10710447 8864165 9476153 PS(aa-40:7)-2 322692704 324510016 320923456 315072608 316540512 308072160 304679296 265184928 305525920 284816064 PS(aa-40:8)-1 26835950 22026622 19652494 22335066 20667470 14006833 14331914 10401998 14952163 15047995 PS(aa-40:8)-2 2674819 2089208 2674772 2073160 2425612 3238258 3524748 4450574 3956084 3714285 PS(aa-40:9) 2583862 2097140 2311602 2495726 2039248 943737 850969 83367 1000430 1169841 PS(aa-42:0) 106907632 107893120 116713648 110921440 115047184 62389876 63616276 61908344 67875616 63938252 PS(aa-42:1)-1 35069496 31304568 34619672 30906458 31405750 28515668 21501760 16408606 21490152 22203920 PS(aa-42:1)-2 65828664 62425620 65260496 65407976 62093720 71390872 73220832 74356952 68886872 76086296 PS(aa-42:10) 131178136 110084304 107138176 118111880 123242040 107087520 100786432 59032812 111350896 123175152 PS(aa-42:11) 13742634 11871174 11821960 11288045 10783372 7093055 8580202 6545913 10058704 9050086 PS(aa-42:2)-1 23476770 23445650 23590552 23719014 23993056 18886814 21906564 21584412 21716982 25413940 PS(aa-42:2)-2 69715016 63912076 63363624 57299524 62079480 96087752 87407488 68955088 86341968 98122120 PS(aa-42:3)-1 1913286 2029877 2751549 2109869 1513037 2099358 1354732 1767734 1041665 2068335 PS(aa-42:3)-2 401828192 415198560 415636768 421733056 406312832 380803392 373200416 400678112 374491936 391200832 PS(aa-42:4) 116656640 112527288 106557672 121251392 113707240 113897264 120828504 97296656 115532536 118146064 PS(aa-42:5) 881058750 866715900 873218300 852010180 877048260 820926210 865667070 845958140 864357380 939417730 PS(aa-42:6)-1 223688704 209113392 274677184 201515872 212382032 198513136 157787712 128964240 210722784 145315296 PS(aa-42:6)-2 35110016 34469384 37164272 35012200 32933530 21074560 16926056 18588376 21712120 21432232 PS(aa-42:7) 87115184 86464304 192659616 97552208 96128584 219240976 106254680 84569344 204666816 94886944 PS(aa-42:9) 138836880 133881424 130912632 134740784 141321152 119775872 124180408 123634032 123190856 128869424 PS(aa-44:0) 264427136 248808400 250874800 247469184 254658448 182169536 165144800 169013200 159097280 178159648 PS(aa-44:1) 62016712 58333760 58758520 57114408 61104820 42684292 41976448 42007920 41081696 45883104 PS(aa-44:2) 2805267 1790230 2784536 2134574 2106996 1914600 2465130 1923592 1562829 2763806 PS(aa-44:3) 38128380 37475136 41349112 40904788 39337676 34614168 33334266 36525644 33963028 37367492 PS(aa-44:4) 8212128 6412690 6935985 7762891 8067804 7907987 8609890 6867811 7755599 7457524 PS(aa-44:5)-1 198173280 198900672 187987920 196462992 194353696 167948432 174100672 192513152 176612784 188054384 PS(aa-44:5)-2 1945773 4210680 3884589 2468635 2920318 3138196 1756993 3192493 1479681 2393244 PS(aa-44:6)-1 67754688 69005232 65251192 71521272 65044144 64113272 71687832 61226696 69375736 69211256 PS(aa-44:6)-2 21945110 22989904 24111084 23697404 22047528 21024700 19868442 14078644 19411514 19185220 PS(aa-44:7) 46660168 45939332 44978968 45514508 47256072 72052928 66094216 55953268 60092620 70349168 PS(aa-44:8) 17609226 16526421 37268356 10325641 11801725 40143996 31805230 19032554 44899836 29942002 Sphingosine-1-phosphate 4802475 4696696 4754076 4394017 4576958 6110659 6253862 5373974 6242200 5765446 Sulfatide(Hex/14:0) 4814494 4267344 4729466 4312951 4474138 1712561 1541954 1572924 1816778 1197960 Sulfatide(Hex/16:0) 653530620 642320580 627487870 643604990 683540030 183367872 198105728 173694032 195910944 192876192 Sulfatide(Hex/16:1) 9587236 8890721 8825871 9003609 8007976 4704440 4495082 2965384 5184675 4423809 Sulfatide(Hex/17:0) 9507173 10090260 9613512 7674834 10478647 3683524 3324469 3273361 3940898 3890835 Sulfatide(Hex/18:0) 1628925180 1922669060 1885431300 1718226940 1760679680 614921860 625497730 527508800 553757120 557862720 Sulfatide(Hex/18:1) 791845310 694239940 683196860 559394110 712697150 312063968 254202912 220310256 300643616 325002112 Sulfatide(Hex/20:0) 777983940 822135550 804861120 750245820 694140670 745877630 673465660 575469630 773111170 568898940 Sulfatide(Hex/20:1) 860194 954737 877482 1361106 1358121 574977 819422 2073750 838078 964979 Sulfatide(Hex/21:0) 16395422 22479372 22461056 20975612 15438458 96852784 87716808 58173328 102482952 65040152 Sulfatide(Hex/21:1) 10112795 10737196 7958455 9184714 8622359 69945720 76589496 73854184 77014048 60370228 Sulfatide(Hex/22:0) 243546416 245574400 272364544 235337264 223669440 160441184 144368896 110925632 180518672 115646680 Sulfatide(Hex/22:1) 8124323800 7884967900 7528470500 7593583600 7748705800 11918731300 11967583200 11238628400 11925777400 10469591000 Sulfatide(Hex/23:1) 434083712 416485824 502802944 388033984 443029632 2686310400 2294099200 1794076290 2405347070 1805733380 Sulfatide(Hex/23:2) 29524510 29599182 28943986 27023490 29101576 216647632 219313872 180926480 221573488 199749664 Sulfatide(Hex/24:0) 35539988 36109352 34319244 35993048 29966694 15083063 21854758 13541592 28571782 16826612 Sulfatide(Hex/24:1) 5395406800 5319582700 5310231600 5029902800 5241147900 8955088900 8040628700 7446340100 8269518300 8206778900 Sulfatide(Hex/24:2) 7929423900 7334604800 8028486700 7049102300 7649379800 18077585400 16934940700 14972884000 17958596600 16878485500 Sulfatide(Hex/24:3) 81023576 74872344 69944680 70110664 68848016 35738136 37996768 43650160 39932956 40161592 Sulfatide(Hex/25:1) 4815106 4782368 4414061 3999759 5174874 33272030 33477348 24237386 33274538 31978712 Sulfatide(Hex/25:2) 12490245 11536531 11578297 11104335 11290506 67573968 71704464 68885272 72292544 80138760 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PeakID Ion rtimes ObsMass ObsMZ Cer(16:0) Neg_008760 M+Acid 10 537.511 596.525 Cer(16:1) Neg_008699 M+Acid 9.8 535.496 594.51 Cer(18:0) Neg_009461 M+Acid 10.2 565.542 624.556 Cer(18:1) Neg_009391 M+Acid 10 563.527 622.541 Cer(20:0) Neg_010253 M+Acid 10.4 593.574 652.588 Cer(20:1) Neg_010180 M+Acid 10.3 591.558 650.571 Cer(21:0) Neg_010622 M+Acid 10.5 607.589 666.603 Cer(21:1) Neg_010568 M+Acid 10.4 605.573 664.587 Cer(22:0) Neg_010988 M+Acid 10.6 621.604 680.618 Cer(22:1) Neg_010926 M+Acid 10.5 619.589 678.603 Cer(23:0) Neg_011373 M+Acid 10.7 635.62 694.634 Cer(23:1) Neg_011312 M+Acid 10.6 633.605 692.619 Cer(24:0) Neg_011766 M+Acid 10.8 649.635 708.649 Cer(24:1) Neg_011694 M+Acid 10.6 647.62 706.633 Cer(24:2) Neg_011634 M+Acid 10.5 645.604 704.618 Cer(25:1) Neg_012068 M+Acid 10.7 661.635 720.649 Cer(26:0) Neg_012494 M+Acid 10.9 677.666 736.679 Cer(26:1) Neg_012420 M+Acid 10.8 675.651 734.665 Cer(26:2) Neg_012367 M+Acid 10.7 673.635 732.649 Cer(26:4) Neg_012279 M+Acid 10.4 669.606 728.62 Cer(26:5) Neg_012227 M+Acid 10.3 667.59 726.603 Cer(26:7) Neg_181823 M+Acid 10.1 663.558 722.572 Cholesterol (-H2) sulfate Neg_005728 M-H 8 464.296 463.289 Cholesterol sulfate Neg_005788 M-H 8.2 466.311 465.304 CL(aaaa-68:2) Neg_022939 M-H 10.6 1404.999 1403.992 CL(aaaa-68:3) Neg_022931 M-H 10.5 1402.985 1401.978 CL(aaaa-68:4) Neg_022916 M-H 10.4 1400.969 1399.961 CL(aaaa-70:3) Neg_023092 M-H 10.7 1431.016 1430.008 CL(aaaa-70:4) Neg_023083 M-H 10.5 1428.998 1427.991 CL(aaaa-70:5) Neg_023063 M-H 10.5 1426.985 1425.978 CL(aaaa-70:6) Neg_265342 M-H 10.4 1424.969 1423.962 CL(aaaa-70:7) Neg_023027 M-H 10.3 1422.957 1421.949 CL(aaaa-72:5) Neg_266830 M-H 10.6 1455.012 1454.005 CL(aaaa-72:6) Neg_023287 M-H 10.5 1452.998 1451.991 CL(aaaa-72:7) Neg_023263 M-H 10.4 1450.983 1449.975 CL(aaaa-72:8) Neg_023230 M-H 10.3 1448.97 1447.963 CL(aaaa-74:10) Neg_023452 M-H 10.4 1472.966 1471.959 CL(aaaa-74:8) Neg_023500 M-H 10.5 1476.998 1475.991 CL(aaaa-76:10) Neg_023710 M-H 10.5 1500.998 1499.991 CL(aaaa-76:11) Neg_023682 M-H 10.4 1498.981 1497.974 CL(aaaa-76:12) Neg_023661 M-H 10.3 1496.969 1495.962 CL(aaaa-76:9) Neg_269028 M-H 10.6 1503.014 1502.007 deoxy-Cer(22:0) Neg_010573 M+Acid 10.6 605.609 664.623 deoxy-Cer(24:0) Neg_011314 M+Acid 10.8 633.641 692.655 deoxy-Cer(24:1) Neg_011258 M+Acid 10.6 631.625 690.638 deoxy-Cer(25:0) Neg_011697 M+Acid 10.8 647.656 706.67 deoxy-Cer(26:0) Neg_012069 M+Acid 10.9 661.672 720.686 deoxy-DHC(18:0) Neg_009097 M+Acid 10.4 551.563 610.577 deoxy-DHC(20:0) Neg_009838 M+Acid 10.6 579.594 638.608 deoxy-DHC(22:0) Neg_010627 M+Acid 10.8 607.625 666.639 deoxy-DHC(23:0) Neg_010991 M+Acid 10.8 621.64 680.654 deoxy-DHC(24:0) Neg_011375 M+Acid 10.9 635.656 694.67 DHC(18:0) Neg_009509 M+Acid 10.3 567.556 626.57 DHC(22:0) Neg_011053 M+Acid 10.7 623.62 682.634 FFA(C14:0) Neg_002326 M-H 7.9 228.209 227.202 FFA(C14:1) Neg_002289 M-H 7.5 226.194 225.186 FFA(C14:2) Neg_002273 M-H 7.2 224.178 223.171 FFA(C16:0) Neg_002549 M-H 8.4 256.24 255.233 FFA(C16:1) Neg_002508 M-H 8 254.225 253.218 FFA(C16:2) Neg_002494 M-H 7.7 252.209 251.202 FFA(C17:0) Neg_002682 M-H 8.6 270.256 269.249 FFA(C17:1) Neg_002652 M-H 8.3 268.24 267.233 FFA(C18:0) Neg_002844 M-H 8.8 284.272 283.265 FFA(C18:0-OH) Neg_048089 M-H 7.7 300.266 299.259 FFA(C18:1) Neg_002799 M-H 8.5 282.256 281.249 FFA(C18:1-OH) Neg_003049 M-H 7.5 298.25 297.243 FFA(C18:2) Neg_002771 M-H 8.2 280.241 279.233 FFA(C18:3) Neg_002758 M-H 7.9 278.225 277.217 FFA(C20:1) Neg_003210 M-H 8.9 310.287 309.279 FFA(C20:2) Neg_003189 M-H 8.6 308.272 307.264 FFA(C20:3) Neg_003177 M-H 8.4 306.255 305.248 FFA(C20:4) Neg_003158 M-H 8.2 304.24 303.233 FFA(C20:5) Neg_003137 M-H 7.9 302.225 301.217 FFA(C22:3) Neg_003543 M-H 8.8 334.287 333.28 FFA(C22:4) Neg_003519 M-H 8.5 332.271 331.264 FFA(C22:5) Neg_003496 M-H 8.3 330.256 329.249 FFA(C22:6) Neg_003462 M-H 8.1 328.24 327.233 FFA(C24:4) Neg_003873 M-H 8.9 360.302 359.295 FFA(C24:6) Neg_003801 M-H 8.5 356.271 355.264 GD1(16:0) Neg_000848 (M-2H)/2 8.4 1808.939 903.462 GD1(16:1) Neg_000844 (M-2H)/2 8.2 1806.921 902.453 GD1(17:0) Neg_000857 (M-2H)/2 8.5 1822.956 910.471 GD1(18:0) Neg_000895 (M-2H)/2 8.6 1836.97 917.478 GD1(18:1) Neg_000884 (M-2H)/2 8.5 1834.953 916.469 GD1(19:0) Neg_000919 (M-2H)/2 8.8 1850.984 924.485 GD1(19:1) Neg_000917 (M-2H)/2 8.5 1848.964 923.475 GD1(20:0) Neg_000954 (M-2H)/2 8.9 1865 931.493 GD1(20:1) Neg_000940 (M-2H)/2 8.7 1862.983 930.484 GD1(21:0) Neg_000976 (M-2H)/2 8.9 1879.019 938.502 GD1(21:1) Neg_000969 (M-2H)/2 8.8 1876.999 937.492 GD1(22:0) Neg_000993 (M-2H)/2 9 1893.029 945.507 GD1(22:1) Neg_000987 (M-2H)/2 8.9 1891.014 944.5 GD1(22:2) Neg_000985 (M-2H)/2 8.8 1888.998 943.492 GD1(23:1) Neg_001010 (M-2H)/2 9 1905.03 951.508 GD1(23:2) Neg_001003 (M-2H)/2 8.9 1903.013 950.499 GD1(24:1) Neg_001036 (M-2H)/2 9 1919.044 958.515 GD1(24:2) Neg_001027 (M-2H)/2 8.9 1917.028 957.507 GD1(24:3) Neg_001021 (M-2H)/2 8.8 1915.012 956.499 GD1-NeuGc(16:0) Neg_000911 (M-2H)/2 8.4 1840.931 919.458 GD2(18:0) Neg_000762 (M-2H)/2 8.6 1674.915 836.45 GD2(18:1) Neg_000761 (M-2H)/2 8.5 1672.903 835.444 GD3(18:0) Neg_000594 (M-2H)/2 8.8 1471.839 734.912 GM1(16:0) Neg_023849 M-H 8.9 1517.842 1516.835 GM1(18:0) Neg_024090 M-H 9.1 1545.874 1544.866 GM1(18:1) Neg_024061 M-H 9 1543.859 1542.851 GM1(18:2) Neg_024045 M-H 8.9 1541.843 1540.836 GQ1(18:0) Neg_001662 (M-2H)/2 8.1 2419.153 1208.569 GQ1(18:1) Neg_001656 (M-2H)/2 8 2417.141 1207.563 GQ1(20:0) Neg_001685 (M-2H)/2 8.3 2447.189 1222.587 GQ1-NeuGc(18:0) Neg_001719 (M-2H)/2 8.1 2483.148 1240.567 GQ1-NeuGc(18:1) Neg_001716 (M-2H)/2 8 2481.131 1239.558 GQ1-NeuGc(20:0) Neg_001733 (M-2H)/2 8.4 2511.18 1254.583 GT1(16:0) Neg_001161 (M-2H)/2 7.9 2100.031 1049.008 GT1(16:1) Neg_001159 (M-2H)/2 7.8 2098.013 1047.999 GT1(17:0) Neg_001177 (M-2H)/2 8.1 2114.049 1056.017 GT1(18:0) Neg_001206 (M-2H)/2 8.2 2128.064 1063.025 GT1(18:1) Neg_001192 (M-2H)/2 8 2126.047 1062.016 GT1(19:0) Neg_001227 (M-2H)/2 8.3 2142.078 1070.032 GT1(20:0) Neg_001263 (M-2H)/2 8.4 2156.094 1077.04 GT1(20:1) Neg_001258 (M-2H)/2 8.3 2154.075 1076.03 GT1(21:0) Neg_001297 (M-2H)/2 8.5 2170.111 1084.048 GT1(22:0) Neg_001319 (M-2H)/2 8.7 2184.124 1091.055 GT1(22:1) Neg_001314 (M-2H)/2 8.5 2182.108 1090.047 GT1(24:1) Neg_001376 (M-2H)/2 8.7 2210.141 1104.063 Hex-Cer(16:0) Neg_013025 M+Acid 9.8 699.563 758.577 Hex-Cer(18:0) Neg_013685 M+Acid 10.1 727.594 786.608 Hex-Cer(18:0)-OH Neg_014056 M+Acid 10 743.588 802.602 Hex-Cer(18:1) Neg_013638 M+Acid 9.9 725.578 784.592 Hex-Cer(18:1)-OH Neg_014009 M+Acid 9.8 741.574 800.588 Hex-Cer(20:0) Neg_014354 M+Acid 10.3 755.625 814.639 Hex-Cer(20:0)-OH Neg_014754 M+Acid 10.2 771.62 830.634 Hex-Cer(20:1)-OH Neg_208310 M+Acid 10 769.604 828.618 Hex-Cer(21:0) Neg_014706 M+Acid 10.4 769.641 828.655 Hex-Cer(22:0) Neg_015034 M+Acid 10.5 783.657 842.671 Hex-Cer(22:0)-OH Neg_015405 M+Acid 10.4 799.653 858.667 Hex-Cer(22:1) Neg_014990 M+Acid 10.3 781.641 840.655 Hex-Cer(22:1)-OH Neg_015357 M+Acid 10.3 797.635 856.649 Hex-Cer(23:0) Neg_015358 M+Acid 10.6 797.673 856.687 Hex-Cer(23:1) Neg_015310 M+Acid 10.4 795.657 854.671 Hex-Cer(24:0) Neg_015671 M+Acid 10.7 811.688 870.701 Hex-Cer(24:0)-OH Neg_016091 M+Acid 10.6 827.683 886.697 Hex-Cer(24:1) Neg_015616 M+Acid 10.5 809.673 868.687 Hex-Cer(24:1)-OH Neg_016025 M+Acid 10.4 825.666 884.68 Hex-Cer(24:2) Neg_015575 M+Acid 10.4 807.656 866.67 Hex-Cer(24:2)-OH Neg_015975 M+Acid 10.3 823.65 882.664 Hex-Cer(25:0) Neg_016026 M+Acid 10.7 825.704 884.717 Hex-Cer(25:0)-OH Neg_016453 M+Acid 10.7 841.698 900.712 Hex-Cer(25:1) Neg_015976 M+Acid 10.6 823.687 882.701 Hex-Cer(25:1)-OH Neg_016402 M+Acid 10.5 839.682 898.696 Hex-Cer(25:2) Neg_015934 M+Acid 10.4 821.67 880.684 Hex-Cer(25:2)-OH Neg_016358 M+Acid 10.4 837.665 896.679 Hex-Cer(26:0) Neg_016403 M+Acid 10.8 839.72 898.733 Hex-Cer(26:0)-OH Neg_016799 M+Acid 10.8 855.714 914.728 Hex-Cer(26:1) Neg_016359 M+Acid 10.7 837.703 896.717 Hex-Cer(26:1)-OH Neg_016743 M+Acid 10.6 853.698 912.712 Hex-Cer(26:2) Neg_220756 M+Acid 10.6 835.689 894.703 LPA(a-14:0) Neg_070040 M-H 6.6 382.211 381.204 LPA(a-16:0) Neg_004666 M-H 7.2 410.243 409.236 LPA(a-16:1) Neg_077441 M-H 6.9 408.226 407.219 LPA(a-18:1) Neg_005174 M-H 7.4 436.258 435.251 LPA(a-20:4) Neg_005598 M-H 7 458.242 457.235 LPE(a-16:0)-1 Neg_005496 M-H 7.7 453.285 452.278 LPE(a-16:0)-2 Neg_005495 M-H 7.6 453.285 452.278 LPE(a-16:1)-1 Neg_090908 M-H 7.2 451.269 450.261 LPE(a-16:1)-2 Neg_005463 M-H 7.4 451.269 450.262 LPE(a-17:0)-1 Neg_095804 M-H 8 467.301 466.293 LPE(a-17:0)-2 Neg_095803 M-H 7.9 467.301 466.294 LPE(a-17:1) Neg_095106 M-H 7.6 465.286 464.279 LPE(a-18:0)-1 Neg_006135 M-H 8.2 481.316 480.309 LPE(a-18:0)-2 Neg_006134 M-H 8.1 481.316 480.309 LPE(a-18:1)-1 Neg_006085 M-H 7.9 479.3 478.293 LPE(a-18:1)-2 Neg_006084 M-H 7.8 479.3 478.293 LPE(a-18:2)-1 Neg_006037 M-H 7.6 477.285 476.278 LPE(a-18:2)-2 Neg_006036 M-H 7.5 477.285 476.278 LPE(a-18:3) Neg_098686 M-H 7.3 475.269 474.262 LPE(a-19:1)-1 Neg_104400 M-H 8.1 493.316 492.309 LPE(a-19:1)-2 Neg_104399 M-H 8 493.316 492.309 LPE(a-20:0) Neg_110009 M-H 8.6 509.349 508.342 LPE(a-20:1)-1 Neg_006724 M-H 8.3 507.332 506.325 LPE(a-20:1)-2 Neg_006723 M-H 8.2 507.331 506.324 LPE(a-20:2)-1 Neg_108610 M-H 8 505.316 504.309 LPE(a-20:2)-2 Neg_108609 M-H 8 505.316 504.309 LPE(a-20:3) Neg_107965 M-H 7.8 503.3 502.293 LPE(a-20:4)-1 Neg_006605 M-H 7.6 501.284 500.277 LPE(a-20:4)-2 Neg_006604 M-H 7.5 501.285 500.277 LPE(a-20:5)-1 Neg_006540 M-H 7.3 499.269 498.261 LPE(a-20:5)-2 Neg_006539 M-H 7.2 499.269 498.261 LPE(a-22:1) Neg_118843 M-H 8.7 535.366 534.358 LPE(a-22:2) Neg_118189 M-H 8.4 533.347 532.34 LPE(a-22:3) Neg_117499 M-H 8.1 531.332 530.324 LPE(a-22:4)-1 Neg_007218 M-H 8 529.315 528.308 LPE(a-22:4)-2 Neg_007217 M-H 7.9 529.315 528.308 LPE(a-22:5)-1 Neg_007172 M-H 7.8 527.3 526.293 LPE(a-22:5)-2 Neg_007171 M-H 7.7 527.3 526.293 LPE(a-22:6)-1 Neg_007139 M-H 7.6 525.285 524.278 LPE(a-22:6)-2 Neg_007138 M-H 7.5 525.285 524.277 LPE(e-16:1) Neg_086593 M-H 8 437.29 436.283 LPE(e-17:1) Neg_090919 M-H 8.2 451.306 450.299 LPE(e-18:1) Neg_005750 M-H 8.5 465.322 464.314 LPE(e-18:2) Neg_005709 M-H 8.1 463.305 462.298 LPE(e-18:3) Neg_093861 M-H 7.8 461.29 460.282 LPE(e-20:1) Neg_104411 M-H 8.9 493.352 492.345 LPE(e-20:2) Neg_103771 M-H 8.5 491.337 490.33 LPE(e-22:2) Neg_113447 M-H 8.9 519.368 518.361 LPG(a-16:0)-1 Neg_101474 M-H 7.2 484.28 483.272 LPG(a-16:0)-2 Neg_006194 M-H 7.1 484.28 483.272 LPG(a-16:1)-1 Neg_100771 M-H 6.8 482.263 481.256 LPG(a-16:1)-2 Neg_100770 M-H 6.7 482.263 481.256 LPG(a-18:0)-1 Neg_111068 M-H 7.7 512.311 511.303 LPG(a-18:0)-2 Neg_111067 M-H 7.6 512.31 511.303 LPG(a-18:1)-1 Neg_006796 M-H 7.3 510.295 509.288 LPG(a-18:1)-2 Neg_006795 M-H 7.2 510.295 509.288 LPG(a-18:2)-1 Neg_006746 M-H 7 508.278 507.27 LPG(a-18:2)-2 Neg_006745 M-H 6.9 508.278 507.271 LPG(a-20:1)-1 Neg_119844 M-H 7.7 538.324 537.317 LPG(a-20:1)-2 Neg_007421 M-H 7.7 538.325 537.317 LPG(a-22:5) Neg_007818 M-H 7.2 558.294 557.286 LPG(a-22:6)-1 Neg_007767 M-H 7 556.279 555.272 LPG(a-22:6)-2 Neg_007766 M-H 6.9 556.279 555.272 LPI(a-16:0)-1 Neg_131295 M-H 7 572.295 571.288 LPI(a-16:0)-2 Neg_008106 M-H 7.1 572.295 571.288 LPI(a-16:1) Neg_130556 M-H 6.7 570.279 569.272 LPI(a-18:0)-1 Neg_008815 M-H 7.6 600.326 599.319 LPI(a-18:0)-2 Neg_008814 M-H 7.5 600.326 599.319 LPI(a-18:1)-1 Neg_008767 M-H 7.2 598.311 597.303 LPI(a-18:1)-2 Neg_008766 M-H 7.1 598.31 597.303 LPI(a-18:2) Neg_008711 M-H 6.9 596.294 595.287 LPI(a-20:3) Neg_009359 M-H 7 622.309 621.302 LPI(a-20:4)-1 Neg_009298 M-H 6.9 620.294 619.287 LPI(a-20:4)-2 Neg_009297 M-H 6.9 620.294 619.287 LPI(a-22:6)-1 Neg_009937 M-H 6.9 644.294 643.287 LPI(a-22:6)-2 Neg_009936 M-H 6.9 644.294 643.287 LPS(a-16:0)-1 Neg_105840 M-H 7.1 497.274 496.267 LPS(a-16:0)-2 Neg_105839 M-H 7 497.274 496.267 LPS(a-16:1)-1 Neg_105050 M-H 6.7 495.259 494.252 LPS(a-16:1) Neg_105049 M-H 6.6 495.259 494.252 LPS(a-18:0) Neg_007141 M-H 7.6 525.304 524.297 LPS(a-18:1)-1 Neg_007096 M-H 7.2 523.29 522.283 LPS(a-18:1) Neg_007095 M-H 7.1 523.29 522.283 LPS(a-18:2) Neg_114034 M-H 6.9 521.274 520.267 LPS(a-20:0) Neg_124944 M-H 8 553.337 552.33 LPS(a-20:1)-1 Neg_124141 M-H 7.7 551.321 550.314 LPS(a-20:1) Neg_124140 M-H 7.6 551.321 550.314 LPS(a-20:2)-1 Neg_123443 M-H 7.4 549.306 548.299 LPS(a-20:2) Neg_123442 M-H 7.3 549.306 548.299 LPS(a-20:3)-1 Neg_122778 M-H 7.1 547.289 546.282 LPS(a-20:3) Neg_122777 M-H 7 547.289 546.282 LPS(a-20:4)-1 Neg_007547 M-H 6.9 545.274 544.267 LPS(a-20:4) Neg_007546 M-H 6.9 545.274 544.267 LPS(a-21:0) Neg_008016 M-H 8 567.353 566.345 LPS(a-22:4)-1 Neg_131596 M-H 7.3 573.306 572.298 LPS(a-22:4) Neg_008137 M-H 7.3 573.306 572.298 LPS(a-22:5)-1 Neg_130943 M-H 7.2 571.291 570.284 LPS(a-22:5) Neg_130942 M-H 7.1 571.291 570.284 LPS(a-22:6)-1 Neg_008049 M-H 6.9 569.274 568.267 LPS(a-22:6) Neg_008048 M-H 6.9 569.275 568.267 LPS(a-23:0) Neg_139206 M-H 8.5 595.383 594.376 LPS(a-24:2) Neg_142517 M-H 7.7 605.368 604.361 LPS(a-24:3) Neg_008880 M-H 7.5 603.352 602.345 LPS(a-26:0) Neg_009789 M-H 8.7 637.431 636.423 LPS(a-27:0) Neg_010174 M-H 8.9 651.446 650.439 LPS(a-28:3)-1 Neg_161029 M-H 8.3 659.415 658.408 LPS(a-28:3) Neg_161028 M-H 8.3 659.415 658.407 MLCL(aaa-52:3) Neg_021251 M-H 9.7 1164.754 1163.747 MLCL(aaa-54:4) Neg_021508 M-H 9.7 1190.77 1189.763 MLCL(aaa-54:6) Neg_021475 M-H 9.5 1186.74 1185.732 MLCL(aaa-56:7) Neg_021696 M-H 9.6 1212.754 1211.747 MLCL(aaa-56:8) Neg_021683 M-H 9.5 1210.739 1209.731 MLCL(aaa-56:9) Neg_021668 M-H 9.4 1208.723 1207.715 MLCL(aaa-58:10) Neg_021905 M-H 9.5 1234.74 1233.732 MLCL(aaa-58:8) Neg_256364 M-H 9.7 1238.769 1237.761 MLCL(aaa-58:9) Neg_021919 M-H 9.6 1236.754 1235.747 PA(aa-28:0) Neg_138176 M-H 8.9 592.409 591.402 PA(aa-30:1) Neg_147092 M-H 9 618.423 617.416 PA(aa-32:1) Neg_010014 M-H 9.1 646.455 645.448 PA(aa-32:2) Neg_156016 M-H 9 644.439 643.431 PA(aa-34:0) Neg_010829 M-H 9.6 676.502 675.495 PA(aa-34:1) Neg_010781 M-H 9.3 674.486 673.479 PA(aa-34:2) Neg_010732 M-H 9.2 672.471 671.464 PA(aa-36:1) Neg_011571 M-H 9.6 702.518 701.511 PA(aa-36:2) Neg_011518 M-H 9.5 700.504 699.496 PA(aa-36:4) Neg_011409 M-H 9.2 696.471 695.464 PA(aa-36:5) Neg_011333 M-H 9.1 694.456 693.449 PA(aa-38:1) Neg_012303 M-H 9.9 730.548 729.54 PA(aa-38:2) Neg_012250 M-H 9.7 728.534 727.526 PA(aa-38:3) Neg_182761 M-H 9.6 726.518 725.511 PA(aa-38:4) Neg_012158 M-H 9.5 724.502 723.495 PA(aa-40:4) Neg_012883 M-H 9.7 752.534 751.527 PA(aa-40:6) Neg_012763 M-H 9.5 748.502 747.495 PE(aa-32:0) Neg_011255 M-H 10.1 691.514 690.506 PE(aa-32:1) Neg_011189 M-H 9.9 689.498 688.491 PE(aa-33:1) Neg_175884 M-H 10 703.513 702.506 PE(aa-34:0) Neg_012011 M-H 10.3 719.545 718.537 PE(aa-34:1) Neg_011959 M-H 10.1 717.529 716.522 PE(aa-34:2) Neg_011910 M-H 9.9 715.514 714.507 PE(aa-34:3) Neg_011874 M-H 9.8 713.498 712.491 PE(aa-35:1) Neg_184100 M-H 10.3 731.546 730.539 PE(aa-35:2) Neg_012273 M-H 10.1 729.529 728.521 PE(aa-36:1) Neg_012673 M-H 10.3 745.56 744.553 PE(aa-36:2) Neg_012628 M-H 10.2 743.545 742.538 PE(aa-36:3) Neg_012588 M-H 10 741.529 740.522 PE(aa-36:4) Neg_012542 M-H 9.9 739.513 738.506 PE(aa-36:5) Neg_012482 M-H 9.8 737.498 736.491 PE(aa-36:6) Neg_012413 M-H 9.7 735.482 734.475 PE(aa-37:1) Neg_013024 M-H 10.4 759.576 758.568 PE(aa-37:4) Neg_012904 M-H 10.1 753.528 752.521 PE(aa-37:5) Neg_012847 M-H 9.9 751.513 750.506 PE(aa-37:6) Neg_012790 M-H 9.8 749.498 748.491 PE(aa-38:1) Neg_013345 M-H 10.5 773.592 772.585 PE(aa-38:2) Neg_013309 M-H 10.4 771.576 770.569 PE(aa-38:3) Neg_013275 M-H 10.3 769.56 768.553 PE(aa-38:4) Neg_013224 M-H 10.2 767.544 766.537 PE(aa-38:5) Neg_013167 M-H 10 765.528 764.521 PE(aa-38:6) Neg_013118 M-H 9.9 763.514 762.507 PE(aa-38:7) Neg_013064 M-H 9.8 761.498 760.491 PE(aa-39:1) Neg_198747 M-H 10.6 787.61 786.602 PE(aa-39:4) Neg_013551 M-H 10.3 781.559 780.552 PE(aa-39:6) Neg_013444 M-H 10 777.529 776.521 PE(aa-39:7) Neg_013390 M-H 9.9 775.512 774.505 PE(aa-40:1) Neg_014010 M-H 10.7 801.623 800.616 PE(aa-40:2) Neg_013982 M-H 10.6 799.608 798.6 PE(aa-40:3) Neg_013939 M-H 10.5 797.592 796.584 PE(aa-40:4) Neg_013886 M-H 10.4 795.575 794.568 PE(aa-40:5) Neg_013837 M-H 10.3 793.56 792.552 PE(aa-40:6) Neg_013779 M-H 10.2 791.544 790.537 PE(aa-40:7) Neg_013730 M-H 10 789.527 788.52 PE(aa-40:8) Neg_013680 M-H 9.8 787.513 786.506 PE(aa-40:9) Neg_013631 M-H 9.7 785.498 784.491 PE(aa-42:1) Neg_014705 M-H 10.9 829.653 828.646 PE(aa-42:10) Neg_014262 M-H 9.8 811.513 810.505 PE(aa-42:2) Neg_014660 M-H 10.7 827.639 826.631 PE(aa-42:3) Neg_014612 M-H 10.6 825.624 824.617 PE(aa-42:4) Neg_014570 M-H 10.5 823.607 822.6 PE(aa-42:5) Neg_014509 M-H 10.4 821.592 820.584 PE(aa-42:6) Neg_014446 M-H 10.4 819.575 818.567 PE(aa-42:8) Neg_014349 M-H 10.1 815.544 814.536 PE(aa-42:9) Neg_014308 M-H 9.9 813.528 812.521 PE(aa-44:10) Neg_014933 M-H 10 839.544 838.537 PE(aa-44:11) Neg_014880 M-H 9.9 837.528 836.52 PE(aa-44:12) Neg_014832 M-H 9.8 835.513 834.506 PE(aa-44:4) Neg_015224 M-H 10.7 851.64 850.632 PE(aa-44:5) Neg_015177 M-H 10.6 849.625 848.618 PE(aa-44:9) Neg_210864 M-H 10.2 841.56 840.552 PE(ae-32:1) Neg_166592 M-H 10.2 675.518 674.511 PE(ae-34:1) Neg_175887 M-H 10.4 703.55 702.543 PE(ae-34:2) Neg_011544 M-H 10.2 701.533 700.525 PE(ae-34:3) Neg_011491 M-H 10.1 699.519 698.511 PE(ae-35:2) Neg_011913 M-H 10.3 715.55 714.542 PE(ae-35:3) Neg_011876 M-H 10.2 713.533 712.526 PE(ae-36:1) Neg_184108 M-H 10.6 731.582 730.575 PE(ae-36:2) Neg_012276 M-H 10.4 729.565 728.558 PE(ae-36:3) Neg_012222 M-H 10.3 727.55 726.543 PE(ae-36:4) Neg_012190 M-H 10.2 725.533 724.526 PE(ae-36:5) Neg_012130 M-H 10.1 723.518 722.511 PE(ae-36:6) Neg_012062 M-H 9.9 721.503 720.496 PE(ae-36:7) Neg_012010 M-H 9.8 719.488 718.48 PE(ae-37:2) Neg_012632 M-H 10.5 743.582 742.574 PE(ae-37:3) Neg_012592 M-H 10.4 741.566 740.558 PE(ae-37:5) Neg_012488 M-H 10.2 737.535 736.527 PE(ae-37:7) Neg_012366 M-H 9.9 733.503 732.496 PE(ae-38:2) Neg_012985 M-H 10.6 757.597 756.59 PE(ae-38:3) Neg_012949 M-H 10.5 755.581 754.574 PE(ae-38:4) Neg_012905 M-H 10.4 753.564 752.557 PE(ae-38:5) Neg_012852 M-H 10.3 751.55 750.543 PE(ae-38:6) Neg_189219 M-H 10.1 749.534 748.527 PE(ae-38:7) Neg_012725 M-H 10.1 747.519 746.512 PE(ae-38:8) Neg_012671 M-H 9.9 745.504 744.497 PE(ae-39:2) Neg_013313 M-H 10.7 771.613 770.605 PE(ae-39:3) Neg_013276 M-H 10.6 769.596 768.589 PE(ae-39:5) Neg_013173 M-H 10.4 765.565 764.557 PE(ae-39:6) Neg_013125 M-H 10.2 763.551 762.544 PE(ae-39:7) Neg_013068 M-H 10.2 761.535 760.528 PE(ae-40:2) Neg_013640 M-H 10.8 785.627 784.62 PE(ae-40:3) Neg_013598 M-H 10.6 783.611 782.604 PE(ae-40:4) Neg_013553 M-H 10.5 781.595 780.588 PE(ae-40:5) Neg_013506 M-H 10.5 779.581 778.574 PE(ae-40:6) Neg_013447 M-H 10.4 777.565 776.557 PE(ae-40:7) Neg_013393 M-H 10.3 775.55 774.543 PE(ae-40:8) Neg_013342 M-H 10.1 773.534 772.526 PE(ae-40:9) Neg_013304 M-H 10 771.519 770.511 PE(ae-42:7) Neg_014053 M-H 10.5 803.581 802.574 PE(ae-42:8) Neg_014006 M-H 10.3 801.565 800.557 PG(aa-32:1) Neg_012039 M-H 9.2 720.491 719.484 PG(aa-32:2) Neg_011981 M-H 9 718.476 717.469 PG(aa-34:0) Neg_012812 M-H 9.5 750.539 749.532 PG(aa-34:1) Neg_012764 M-H 9.2 748.523 747.516 PG(aa-34:2)-1 Neg_012703 M-H 9.2 746.507 745.5 PG(aa-34:2) Neg_012702 M-H 9.1 746.507 745.5 PG(aa-34:3)-1 Neg_012652 M-H 9 744.492 743.485 PG(aa-34:3) Neg_012651 M-H 8.9 744.492 743.485 PG(aa-34:4) Neg_012608 M-H 8.8 742.476 741.469 PG(aa-35:1) Neg_192671 M-H 9.4 762.538 761.531 PG(aa-36:1) Neg_013420 M-H 9.6 776.555 775.548 PG(aa-36:2) Neg_013365 M-H 9.3 774.539 773.532 PG(aa-36:3)-1 Neg_013321 M-H 9.2 772.523 771.516 PG(aa-36:3) Neg_013320 M-H 9.1 772.523 771.516 PG(aa-36:4)-1 Neg_013290 M-H 9.1 770.508 769.501 PG(aa-36:4) Neg_013289 M-H 9 770.508 769.501 PG(aa-36:5)-1 Neg_013250 M-H 9 768.493 767.486 PG(aa-36:5) Neg_013249 M-H 8.9 768.493 767.486 PG(aa-38:2) Neg_014024 M-H 9.5 802.57 801.563 PG(aa-38:4) Neg_013958 M-H 9.4 798.539 797.532 PG(aa-38:5)-1 Neg_201117 M-H 9.1 796.523 795.516 PG(aa-38:5) Neg_013908 M-H 9.3 796.526 795.519 PG(aa-38:6)-1 Neg_013857 M-H 9.1 794.508 793.501 PG(aa-38:6) Neg_013856 M-H 9 794.508 793.501 PG(aa-38:7)-1 Neg_200060 M-H 9 792.492 791.485 PG(aa-38:7) Neg_013808 M-H 8.9 792.493 791.485 PG(aa-40:6) Neg_206939 M-H 9.1 822.538 821.53 PG(aa-40:7) Neg_014476 M-H 9.1 820.524 819.516 PG(aa-40:8) Neg_014421 M-H 9 818.508 817.5 PG(aa-40:9) Neg_014366 M-H 8.9 816.493 815.485 PG(aa-42:10) Neg_015005 M-H 9 842.508 841.501 PG(aa-42:11) Neg_014956 M-H 8.9 840.493 839.485 PG(aa-42:8) Neg_015094 M-H 9.1 846.537 845.53 PG(aa-42:9) Neg_015037 M-H 9 844.522 843.515 PG(aa-44:11) Neg_216085 M-H 9 868.522 867.515 PG(aa-44:12) Neg_015547 M-H 9 866.508 865.5 Phytocer(22:0) Neg_011498 M+Acid 10.5 639.615 698.629 Phytocer(23:0) Neg_011878 M+Acid 10.6 653.63 712.644 Phytocer(24:0) Neg_012228 M+Acid 10.7 667.645 726.659 Phytocer(24:1) Neg_012193 M+Acid 10.5 665.63 724.643 Phytocer(25:1) Neg_012553 M+Acid 10.8 679.644 738.658 PI(aa-32:2) Neg_203331 M-H 8.9 806.492 805.485 PI(aa-34:2) Neg_014805 M-H 9.1 834.523 833.515 PI(aa-34:3) Neg_208941 M-H 9 832.508 831.5 PI(aa-34:4) Neg_014717 M-H 8.9 830.493 829.486 PI(aa-36:1) Neg_015507 M-H 9.5 864.571 863.563 PI(aa-36:2)-1 Neg_015461 M-H 9.4 862.555 861.548 PI(aa-36:2) Neg_015460 M-H 9.3 862.555 861.548 PI(aa-36:3) Neg_015412 M-H 9.2 860.538 859.531 PI(aa-36:4) Neg_015366 M-H 9.1 858.523 857.516 PI(aa-36:5) Neg_015318 M-H 9 856.508 855.501 PI(aa-38:0) Neg_220556 M-H 9.9 894.616 893.609 PI(aa-38:1)-1 Neg_220207 M-H 9.8 892.6 891.593 PI(aa-38:1) Neg_220206 M-H 9.8 892.602 891.594 PI(aa-38:2) Neg_016172 M-H 9.7 890.586 889.578 PI(aa-38:3) Neg_016104 M-H 9.5 888.571 887.564 PI(aa-38:4)-1 Neg_016047 M-H 9.4 886.556 885.548 PI(aa-38:4) Neg_016046 M-H 9.2 886.554 885.547 PI(aa-38:5)-1 Neg_015990 M-H 9.3 884.539 883.531 PI(aa-38:5) Neg_015989 M-H 9.1 884.539 883.531 PI(aa-38:6)-1 Neg_218400 M-H 8.9 882.525 881.518 PI(aa-38:6) Neg_015941 M-H 9.1 882.523 881.515 PI(aa-40:2) Neg_224066 M-H 9.8 918.617 917.61 PI(aa-40:4) Neg_016757 M-H 9.7 914.585 913.578 PI(aa-40:5) Neg_016700 M-H 9.5 912.569 911.562 PI(aa-40:6) Neg_016648 M-H 9.4 910.553 909.546 PI(aa-40:8) Neg_016565 M-H 9 906.523 905.515 PI(aa-40:9) Neg_016510 M-H 8.9 904.508 903.501 PS(aa-34:0) Neg_013120 M-H 9.6 763.535 762.528 PS(aa-34:2) Neg_013019 M-H 9.1 759.504 758.497 PS(aa-36:0) Neg_013781 M-H 9.8 791.564 790.557 PS(aa-36:1) Neg_013731 M-H 9.5 789.55 788.543 PS(aa-36:2) Neg_013683 M-H 9.4 787.534 786.527 PS(aa-36:4) Neg_013587 M-H 9.1 783.502 782.495 PS(aa-36:5) Neg_197390 M-H 9 781.488 780.48 PS(aa-38:0) Neg_014447 M-H 10.1 819.596 818.589 PS(aa-38:1) Neg_014401 M-H 9.9 817.58 816.573 PS(aa-38:2)-1 Neg_014351 M-H 9.7 815.565 814.557 PS(aa-38:2) Neg_014350 M-H 9.6 815.565 814.558 PS(aa-38:3)-1 Neg_204916 M-H 9.4 813.548 812.541 PS(aa-38:3)-2 Neg_014310 M-H 9.7 813.55 812.543 PS(aa-38:3)-3 Neg_014309 M-H 9.5 813.55 812.543 PS(aa-38:4)-1 Neg_014265 M-H 9.5 811.533 810.525 PS(aa-38:4)-2 Neg_014264 M-H 9.4 811.534 810.527 PS(aa-38:4)-3 Neg_014263 M-H 9.3 811.534 810.527 PS(aa-38:5) Neg_014210 M-H 9.2 809.517 808.51 PS(aa-38:6)-1 Neg_014159 M-H 9.2 807.504 806.496 PS(aa-38:6) Neg_014158 M-H 9.1 807.503 806.496 PS(aa-38:7) Neg_014096 M-H 9 805.488 804.48 PS(aa-40:0) Neg_015121 M-H 10.3 847.628 846.62 PS(aa-40:1) Neg_015076 M-H 10.2 845.612 844.605 PS(aa-40:2) Neg_015029 M-H 10 843.596 842.589 PS(aa-40:3)-1 Neg_014985 M-H 9.9 841.58 840.573 PS(aa-40:3)-2 Neg_014984 M-H 9.8 841.58 840.573 PS(aa-40:4)-1 Neg_014935 M-H 9.8 839.565 838.558 PS(aa-40:4)-2 Neg_014934 M-H 9.6 839.565 838.558 PS(aa-40:5)-1 Neg_014882 M-H 9.7 837.55 836.543 PS(aa-40:5)-2 Neg_014881 M-H 9.5 837.55 836.542 PS(aa-40:6)-1 Neg_014835 M-H 9.6 835.534 834.527 PS(aa-40:6)-2 Neg_014834 M-H 9.4 835.534 834.527 PS(aa-40:7)-1 Neg_209140 M-H 9.3 833.518 832.511 PS(aa-40:7)-2 Neg_209139 M-H 9.1 833.518 832.51 PS(aa-40:8)-1 Neg_208702 M-H 9 831.504 830.496 PS(aa-40:8)-2 Neg_014736 M-H 9.2 831.503 830.496 PS(aa-40:9) Neg_208270 M-H 8.9 829.487 828.48 PS(aa-42:0) Neg_015778 M-H 10.5 875.658 874.651 PS(aa-42:1)-1 Neg_015734 M-H 10.2 873.643 872.636 PS(aa-42:1)-2 Neg_015733 M-H 10.4 873.644 872.636 PS(aa-42:10) Neg_213589 M-H 9 855.503 854.496 PS(aa-42:11) Neg_015252 M-H 8.9 853.488 852.48 PS(aa-42:2)-1 Neg_015669 M-H 10.2 871.627 870.62 PS(aa-42:2)-2 Neg_015668 M-H 10 871.626 870.619 PS(aa-42:3)-1 Neg_216246 M-H 9.9 869.613 868.605 PS(aa-42:3)-2 Neg_015611 M-H 10.2 869.613 868.606 PS(aa-42:4) Neg_015571 M-H 10 867.595 866.588 PS(aa-42:5) Neg_015532 M-H 9.9 865.58 864.573 PS(aa-42:6)-1 Neg_215117 M-H 9.6 863.566 862.558 PS(aa-42:6)-2 Neg_015487 M-H 9.7 863.566 862.558 PS(aa-42:7) Neg_015441 M-H 9.6 861.552 860.545 PS(aa-42:9) Neg_213918 M-H 9.3 857.517 856.51 PS(aa-44:0) Neg_016503 M-H 10.7 903.69 902.683 PS(aa-44:1) Neg_016451 M-H 10.5 901.674 900.667 PS(aa-44:2) Neg_221293 M-H 10.4 899.66 898.653 PS(aa-44:3) Neg_016356 M-H 10.3 897.643 896.636 PS(aa-44:4) Neg_016305 M-H 10.2 895.628 894.621 PS(aa-44:5)-1 Neg_016250 M-H 10.1 893.612 892.604 PS(aa-44:5)-2 Neg_016249 M-H 10 893.612 892.604 PS(aa-44:6)-1 Neg_016196 M-H 10 891.596 890.589 PS(aa-44:6)-2 Neg_016195 M-H 9.9 891.596 890.589 PS(aa-44:7) Neg_016151 M-H 9.8 889.582 888.574 PS(aa-44:8) Neg_219240 M-H 9.6 887.564 886.557 Sphingosine-1-phosphate Neg_069255 M-H 7.3 379.248 378.241 Sulfatide(Hex/14:0) Neg_012845 M-H 8.8 751.488 750.481 Sulfatide(Hex/16:0) Neg_013499 M-H 9 779.519 778.512 Sulfatide(Hex/16:1) Neg_013443 M-H 8.9 777.503 776.495 Sulfatide(Hex/17:0) Neg_013835 M-H 9.1 793.534 792.527 Sulfatide(Hex/18:0) Neg_014165 M-H 9.1 807.551 806.544 Sulfatide(Hex/18:1) Neg_014101 M-H 9 805.536 804.528 Sulfatide(Hex/20:0) Neg_014842 M-H 9.5 835.582 834.574 Sulfatide(Hex/20:1) Neg_014786 M-H 9.3 833.566 832.559 Sulfatide(Hex/21:0) Neg_015174 M-H 9.6 849.597 848.59 Sulfatide(Hex/21:1) Neg_212085 M-H 9.4 847.582 846.574 Sulfatide(Hex/22:0) Neg_015491 M-H 9.7 863.614 862.607 Sulfatide(Hex/22:1) Neg_015446 M-H 9.5 861.597 860.59 Sulfatide(Hex/23:1) Neg_015772 M-H 9.6 875.614 874.606 Sulfatide(Hex/23:2) Neg_216841 M-H 9.4 873.597 872.59 Sulfatide(Hex/24:0) Neg_016202 M-H 10 891.645 890.638 Sulfatide(Hex/24:1) Neg_016155 M-H 9.7 889.628 888.621 Sulfatide(Hex/24:2) Neg_016086 M-H 9.5 887.613 886.605 Sulfatide(Hex/24:3) Neg_218889 M-H 9.4 885.597 884.59 Sulfatide(Hex/25:1) Neg_016499 M-H 9.9 903.644 902.636 Sulfatide(Hex/25:2) Neg_016449 M-H 9.7 901.627 900.62 METABOLITES_END #END