#METABOLOMICS WORKBENCH ayumiando_20181001_191944_mwtab.txt DATATRACK_ID:1523 STUDY_ID:ST001067 ANALYSIS_ID:AN001747 PROJECT_ID:PR000713 VERSION 1 CREATED_ON October 3, 2018, 9:26 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 femoral muscle (part - IV) 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 Muscle 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 Femoral_51_young Femoral_53_young Femoral_55_young Femoral_57_young Femoral_59_young Femoral_52_aged Femoral_54_aged Femoral_56_aged Femoral_58_aged Femoral_60_aged Factors Age:Young 8 weeks | Tissue:Femoral muscle Age:Young 8 weeks | Tissue:Femoral muscle Age:Young 8 weeks | Tissue:Femoral muscle Age:Young 8 weeks | Tissue:Femoral muscle Age:Young 8 weeks | Tissue:Femoral muscle Age:Aged 112 weeks | Tissue:Femoral muscle Age:Aged 112 weeks | Tissue:Femoral muscle Age:Aged 112 weeks | Tissue:Femoral muscle Age:Aged 112 weeks | Tissue:Femoral muscle Age:Aged 112 weeks | Tissue:Femoral muscle Cer(14:0) 857700 1271085 1003779 1203374 1054101 1100726 1245183 854846 1731772 1133859 Cer(16:0) 23230240 25284324 24222090 21593400 20201096 14937759 15167005 14519282 16764802 12956527 Cer(16:1) 3678268 4522168 3662042 3357030 2920679 3549329 2509908 2331211 2530083 2086713 Cer(17:0) 12258379 13577084 12653083 10026904 11276630 9074466 12386472 13185838 16634128 11546082 Cer(18:0) 931955460 859525440 964962430 977460990 946736320 837159170 915354750 801649220 1092748160 936065280 Cer(18:1) 58474960 56079608 63192432 56761596 52664908 41758336 43137844 35867516 51945940 42524800 Cer(18:2) 1772486 2637578 2375787 2134942 1518900 5410114 3561785 3025571 3389578 3602169 Cer(19:0) 56754344 46032856 51172344 50536384 53866140 53825768 72035240 63078220 102995184 87742832 Cer(19:1) 2535269 2542645 2494862 2094268 2656808 2379094 2307369 1757012 3364853 3242166 Cer(20:0) 32006740 23732038 27162994 28376560 30007636 25829722 36828784 27424360 53313452 38882828 Cer(20:1) 4104527 3312373 3925496 3562687 3519242 4400348 4543454 2658916 4824113 3923166 Cer(21:0) 5282501 3940470 4849097 5487829 6013009 8097987 10290243 6292560 13652417 8930352 Cer(22:0) 97924136 73971256 94396112 97516272 95991288 106608008 129209640 75121528 163293664 130391160 Cer(22:1) 15304124 10492703 14060839 15550631 13736378 15829302 19516612 13836578 28500312 18500916 Cer(23:0) 124315776 92766176 112978432 110483704 122104024 136926464 155685824 82128928 160049792 162339264 Cer(23:1) 35290176 30454952 33806736 35457652 39439636 45162200 44955820 30213688 65436392 51310220 Cer(23:2) 384248 286921 379058 539819 459620 762783 1009947 1045159 1392273 827348 Cer(24:0) 175634480 120513472 150014400 155479552 160887872 174035664 200894720 109570696 216666000 204870576 Cer(24:1) 474646144 344908000 430490464 469892864 479394528 526190912 618708740 398106336 760970500 611335680 Cer(24:2) 72375184 50226344 64008212 79527912 74202192 67541392 72463560 63392200 108916288 75776552 Cer(24:3) 2949685 2527593 2446552 2909748 2644852 2436406 2293349 2348090 3170671 2212851 Cer(25:0) 7978230 6114916 6937148 8324428 8481292 9570950 10642347 6362212 14383816 11327264 Cer(25:1) 7570569 5143940 6570089 6711622 7462974 9118143 9223926 4534487 10515848 10101596 Cer(25:2) 1615911 1523406 1293834 786832 773614 2161639 2122373 311274 1003140 1508505 Cer(26:0) 760271 395878 1072979 1335631 1979437 983394 1193890 836425 3114830 1775758 Cer(26:1) 2406073 1523546 1823937 1865754 2228092 2312917 2495396 1300506 2956729 2539752 Cer(26:4) 386749 370946 527525 172933 659779 556518 733845 739167 812652 461712 Cer-1P(24:1) 2149576 1780288 2093050 1885093 1764931 2005043 1621548 2139815 2147805 1873948 Cholesterol sulfate 13461723 9521608 10277120 11838678 11804878 9494140 9117627 4196420 10509418 11009032 CL(aaaa-64:2) 1526500 0 919732 1021543 1016585 3897537 6921750 909399 3021266 8820831 CL(aaaa-66:1) 3923707 1858606 570292 2329277 2088333 3294855 5504492 2511622 3129711 6633394 CL(aaaa-66:2) 20379686 9779890 9121653 14458966 13265497 25171036 31528284 12218645 19052900 42788956 CL(aaaa-66:3) 31290880 17465740 18532536 23434068 24401704 54106412 56309548 16432844 45104056 73715464 CL(aaaa-66:4)-1 28449664 17021368 17671772 23015606 23763990 50047692 44675840 13599720 48026556 63123896 CL(aaaa-66:4) 1314758 474906 465519 621687 975006 1417114 879424 117240 767132 985267 CL(aaaa-67:3) 4042235 2061709 1890969 1317081 2702592 6422136 6291482 2514737 4628949 8608727 CL(aaaa-67:4) 7664294 4000776 0 6093734 6193782 15567188 14246986 3112510 10622260 17298608 CL(aaaa-68:2) 169566400 93217992 88833752 151254928 119515248 149587216 170926192 94088136 113668240 208241568 CL(aaaa-68:3) 172732128 95505768 93517184 146430512 127351184 190513328 197208736 89965080 152714080 265383472 CL(aaaa-68:4) 165380672 97649864 102711984 137515360 129546120 276702272 248904304 89491008 213846720 352327712 CL(aaaa-68:5) 219867632 145618320 162385216 203463408 209945344 284249888 221372160 76889544 266762736 309121152 CL(aaaa-68:6) 102704664 71241728 82915128 111732528 110219896 72516248 57048360 28096336 89942960 77901328 CL(aaaa-69:3) 3836330 1728385 1761507 3289179 1945385 6129055 5821260 1974341 2655509 7410593 CL(aaaa-69:4) 13240167 7770524 8711894 9275883 9110650 19785892 17949900 6418389 11449107 21422028 CL(aaaa-69:5) 41593688 26874642 29448280 31575108 35954448 44551720 42072936 11463533 36295376 49320688 CL(aaaa-69:6) 26929682 17822226 20752434 26356372 27725132 18998368 18370156 6450062 22151764 23057910 CL(aaaa-70:3) 42637268 24412630 24295376 37197496 30048700 62791632 52210244 31374962 36475580 65162408 CL(aaaa-70:4) 590251780 362726464 360569792 507571264 434462560 597398210 564404350 280588384 439132544 727233920 CL(aaaa-70:5) 834636350 530560064 552913660 746120830 693022210 936406590 804304700 366660512 810166720 1083026820 CL(aaaa-70:6) 421476832 320040768 370073120 416247232 414949568 463983712 369844864 157981696 448356608 468136032 CL(aaaa-70:7) 493321728 364659520 430686880 609534140 568167040 339094976 338893696 152281328 470393184 396906816 CL(aaaa-70:8) 11458942 6479525 7390926 11353404 11605086 5666004 5748024 1650677 7013119 7003876 CL(aaaa-71:4) 7400696 5311982 4645883 6571714 6815280 7636385 7920959 4082657 6199416 8679782 CL(aaaa-71:5) 27357204 16479490 17447818 22446212 22627876 28042816 25851908 11040669 20707940 27651026 CL(aaaa-71:6) 59091940 41453796 42673840 51097612 53062044 43105796 40641708 15740628 45305288 47590616 CL(aaaa-71:7) 44980760 30812862 34976424 41900092 46627572 26078156 30356802 9650191 29627474 29301682 CL(aaaa-71:8) 4465254 2665726 2432560 4134058 4572362 1216736 2137932 285904 2917313 4091787 CL(aaaa-72:5) 140383520 107576832 111829912 139310272 112791728 156836960 141736464 73705408 116241400 165499168 CL(aaaa-72:6) 2013641980 1469063550 1550941310 1957175040 1728696830 1528700420 1428719230 710667710 1335560960 1584065920 CL(aaaa-72:7) 5416789500 4200520700 4548573200 6035369000 5692436500 2977002750 3455817730 1401519740 3795470850 3320231940 CL(aaaa-72:8) 3407541760 2649007870 2991035390 4372626900 3996939780 1682802430 2430850300 931084290 2723361790 1865826300 CL(aaaa-72:9) 38558796 21627606 23187420 45507612 47707224 11804154 15764056 4547865 25675092 21086984 CL(aaaa-73:6) 9087354 6992815 7420236 8800227 7612171 3719268 3894120 2391653 3586553 4137199 CL(aaaa-73:7) 46233400 30812580 35295516 48425268 47025604 14514206 16349750 8700748 17035590 19850336 CL(aaaa-73:8) 13561255 10106586 10757460 14620260 14147285 7605487 9819246 3259025 8447300 12180736 CL(aaaa-74:10) 790394620 690182020 697993980 858730880 825766780 798707840 839675200 504366400 888831040 1039182590 CL(aaaa-74:8) 1513673220 1120462980 1263166210 1801083900 1657654020 520820256 556855100 283729472 575152770 717018300 CL(aaaa-75:10) 15054641 12040620 11737258 14627585 15713653 17119398 21285050 8831280 20075226 27790518 CL(aaaa-75:11) 10808262 6895591 8170904 9194633 10680311 11111050 13690635 5324229 15857413 19032510 CL(aaaa-75:9) 12957776 10946495 11178792 14821926 13670493 9135392 11311587 6876451 10865952 15957136 CL(aaaa-76:10) 328554880 274846912 266403552 356041408 325268896 273723584 310974400 198230080 289245248 409041824 CL(aaaa-76:11) 1877478530 1385085820 1417524480 1816091900 1905400700 1334095360 1610338560 724554500 1787451900 2113904380 CL(aaaa-76:12) 1434901890 973610430 1015854340 1433297020 1489066370 756966980 1040738690 479747104 1309129980 1382933250 CL(aaaa-76:9) 18701332 18203584 14695516 21023420 15404053 13526745 15954642 10943379 12945722 19784218 deoxy-Cer(20:0) 0 114772 189017 0 495901 1471458 633576 702768 662661 451504 deoxy-Cer(22:0) 798999 1362223 825255 769494 906348 3216923 2156410 1188268 1372271 1359753 deoxy-Cer(24:0) 2615129 3062300 1346258 2662170 2702073 5755971 3385906 2362645 2856746 2369855 deoxy-Cer(24:1) 1199241 2752839 735788 1033939 1219060 8156903 2781714 1442591 1411622 2252305 deoxy-DHC(17:0) 848378 614617 890444 637565 568352 540528 749022 714923 809191 662012 deoxy-DHC(18:0) 2498428 2310140 2869666 2889254 2542425 1850402 2310270 1506257 1618735 1323114 deoxy-DHC(20:0) 699774 718257 724348 1109416 1098926 1451210 1422084 852233 1766990 1041988 deoxy-DHC(22:0) 1015990 980144 665140 1147561 900235 1577502 1379722 882351 1513920 1145247 deoxy-DHC(23:0) 787148 919101 179439 884259 438314 489314 509394 437278 779821 539938 deoxy-DHC(24:0) 438243 493314 572500 1208435 1163301 834973 516731 1148985 1858030 653418 DHC(18:0) 8226534 9134624 11234912 8108974 10011725 11914772 16509110 12437702 15291619 18630832 DHC(20:0) 583219 4882224 4531801 2347963 13005238 946423 2491008 2889810 10571594 11219785 DHC(22:0) 1230456 1412566 1603926 1478550 2022639 1578684 1955646 1047285 2181683 2279950 FFA(C14:0) 15027318 24071736 14553228 9765064 8320792 28552328 16606898 5018546 6550029 8874582 FFA(C14:1) 464757 787368 523304 367215 337462 1052008 869085 223400 452931 529395 FFA(C14:2) 140824 142853 81308 86211 73521 63286 110401 21772 96441 108625 FFA(C16:0) 176813296 216092032 161225376 102791888 90798336 234861744 165577184 45636064 69389952 93911280 FFA(C16:1) 21871472 35732624 20893136 18966502 16432340 59435556 42173664 8484931 14326546 22803468 FFA(C16:2) 229960 460341 164733 256489 227840 556719 499741 146454 333276 225071 FFA(C17:0) 13081707 19969268 12941047 6578031 5755881 17884360 12364366 3004212 4204461 5636911 FFA(C17:1) 2636376 4672120 2874075 1699289 1715718 7292475 4530662 896520 1304261 2374748 FFA(C18:0) 189105424 209203664 174521664 97501624 93751656 215557840 157930304 49950504 70795824 83316496 FFA(C18:0-OH) 388029 343971 290354 247814 290826 408158 197407 103533 196426 278787 FFA(C18:1) 166929728 237539360 141703296 98800416 88673968 385985952 250437200 53809300 90118208 142606064 FFA(C18:1-OH) 2105539 2107169 1575381 959645 935945 4060596 2234467 301181 431022 979722 FFA(C18:2) 74122656 111656832 50779796 57587672 52531776 161728864 109809744 30533776 54444436 76692928 FFA(C18:2-OH) 930090 930964 458413 274384 272762 2168280 1087261 50885 65703 194367 FFA(C18:3) 2969958 6247321 2587985 3344051 2356008 5748853 4825918 997821 2334935 2927390 FFA(C20:0) 8510473 12848918 5787169 4305362 4092355 8348178 5230224 2469028 2708245 2589163 FFA(C20:1) 22439540 30635192 11848216 9421522 10799624 25890234 21693126 4390578 9490946 12736036 FFA(C20:2) 3857843 5543111 2499195 2161292 2121266 6870019 5077371 1232104 1891802 2782758 FFA(C20:3) 1797989 2456124 1172829 1507739 1322518 3125218 2518898 630229 1057241 1651613 FFA(C20:4) 10092959 10597910 7768625 8349722 7073517 11160538 8714470 2787512 5344429 6851478 FFA(C20:5) 1627763 2430739 1441332 1552475 1192110 2303871 2245562 705073 1163233 1360172 FFA(C22:0) 594775 1273607 681201 518890 451183 1197077 703849 398356 600315 441523 FFA(C22:1) 3805853 5673678 1865390 1851381 2098453 2649053 2330691 1034732 1294261 1666067 FFA(C22:2) 493942 599521 413788 471431 576895 854396 485525 164857 320577 438547 FFA(C22:3) 0 113470 0 66662 64494 103256 98392 0 33333 43575 FFA(C22:4) 1142332 1095056 873556 894669 749450 1550367 1273015 396264 588673 810691 FFA(C22:5) 9252006 9108587 6689580 6606478 5903007 9687261 9224832 3087097 4405079 5760035 FFA(C22:6) 28168968 26759722 20807002 17888712 17719424 22823816 28008376 10040479 14320560 18771732 FFA(C22:6-OH) 43936 36079 35327 7453 24877 87147 38440 12418 8048 19223 FFA(C24:0) 812439 1473923 912381 679044 789996 1508642 1491473 1111108 951891 559937 FFA(C24:1) 1788582 2775389 997659 1006515 1275525 1837546 1339254 510845 1213940 966645 FFA(C24:5) 187692 213430 0 114349 109523 0 163699 61801 60715 83579 FFA(C24:6) 385804 368014 179596 248485 162668 326634 339570 0 143798 182809 FFA(C30:0) 0 229600 131160 194239 276819 254274 346965 216820 388849 278406 GD1(17:0) 484781 893850 811490 1540012 889286 778289 817427 895589 855517 823683 GD1(18:0) 3575649 1236210 3883370 291714 582525 869301 923031 328683 777676 393336 GD1-NeuGc(16:0) 1465499 1216311 1222128 2820032 1929855 971717 694811 582523 1523679 1051474 GD1-NeuGc(24:1) 613122 1206653 920340 3411221 2347760 448623 0 1024989 1760656 661907 GD3(18:0) 6921656 5982964 6866620 14300898 10039836 2234043 2396872 1472741 3565999 4019613 GM3(18:0) 158221376 149270880 137371440 189632304 176287792 119318464 120609448 99509336 125260800 112414264 GM3(18:1) 4901113 5290705 4124973 8721512 5595683 6124583 4592964 3053916 5385982 4797243 GM3(24:1) 1836737 1626564 986490 1436412 1911598 624297 604269 581330 490021 470545 GM3-NeuGc(18:0) 18383180 18498852 14756938 23900242 22430262 11468312 12537441 13608486 15584025 11184842 GT1(18:0) 2865475 1659965 2383188 1488165 1810894 2267190 3082711 1595849 2544080 2134775 GT1(22:0) 491186 583872 1027351 192556 328051 835256 729503 124094 348987 258667 Hex-Cer(16:0) 2237141 2146105 2459465 2612535 2138249 3268696 2549360 2807244 3160850 2744365 Hex-Cer(18:0) 1257158 941134 1030797 646174 701903 2181124 2006044 2907434 2636119 1852241 Hex-Cer(20:0) 2690617 2325710 3155016 2253746 4256387 7406185 10268576 13346547 9461340 6979699 Hex-Cer(20:0)-OH 3989662 3286398 3031710 2288295 4358685 9722934 11726145 13550812 10195959 8223949 Hex-Cer(22:0) 37484016 24492108 36093804 29329476 52930024 61003184 93687648 102813280 104730448 62245576 Hex-Cer(22:0)-OH 67778816 53532128 70801720 52902756 91433984 122117240 164324032 199213392 168896512 116009240 Hex-Cer(22:1) 0 527074 714594 301749 817045 2930146 4135017 6110329 3546142 2021455 Hex-Cer(22:1)-OH 312804 0 45289 16494 372680 1577426 1910639 2642520 2301273 1382214 Hex-Cer(23:0) 28230070 20391884 26381156 22777884 33955516 76829760 115021464 88279272 120608192 81049344 Hex-Cer(23:1) 980808 656089 960636 305853 823913 3139663 5473982 7572422 5832874 3792267 Hex-Cer(24:0) 254579856 160846992 237168128 200616368 355418400 337350144 626872060 440750688 619177090 413808576 Hex-Cer(24:0)-OH 425561280 283523488 410754944 361636320 563430660 485007936 731817020 554258500 764214020 552422020 Hex-Cer(24:1) 103327096 73880200 106966504 86377216 149328784 178501680 265970832 274165952 292160096 188743424 Hex-Cer(24:1)-OH 22996806 18278942 24524888 19151504 30574848 35693976 46970260 58036132 55366188 39538260 Hex-Cer(24:2) 4435801 4659269 5700615 3938150 8447694 10709984 18139728 26268170 16783620 10746585 Hex-Cer(24:2)-OH 1207511 1127064 861920 1040730 1608713 1215788 1676418 3074659 1166362 890535 Hex-Cer(25:0) 14379545 10970479 14054826 8411142 13025968 21904368 38913176 26135158 39418140 26356468 Hex-Cer(25:0)-OH 23135398 24526238 23382858 13996044 17966440 31150320 46157784 24445378 40000804 33268076 Hex-Cer(25:1) 5443221 5725817 5954505 3123908 4330708 8221321 11398875 7651183 9699929 8218580 Hex-Cer(25:1)-OH 6212287 8826900 6781144 3084033 4681262 6792692 9108834 5922197 6685333 6323890 Hex-Cer(26:0) 4008262 2015333 3516262 2661081 5940858 3331475 7489249 5506750 7814764 4796118 Hex-Cer(26:0)-OH 9571945 5833289 8412178 6738538 12654106 7169721 13273724 9330932 14192524 7854202 Hex-Cer(26:1) 4344817 2876008 4355258 3256318 7040765 4000247 6870578 4430586 7375625 4881144 Hex-Cer(26:1)-OH 4935975 4251525 4151912 3865656 6654429 3218283 5804473 4568314 6082988 4308592 Hex-Cer(26:2) 713348 1128267 1570899 343316 813037 457088 961404 1032580 1097395 486220 LPA(a-16:0) 1861556 1630507 2112151 1987328 1802370 1305781 1696317 352540 984141 1471714 LPA(a-16:1) 38983 67207 62288 50397 65842 101294 113290 0 58601 105131 LPE(a-14:0) 213995 147061 373432 85410 160105 119203 158932 0 86856 101124 LPE(a-16:0)-1 9202245 5781543 13944497 4413207 7620053 8131432 8552048 2055912 5274185 6411100 LPE(a-16:0) 70409112 44981060 94580816 35338972 50508768 63751208 69578568 18856580 40105260 55986864 LPE(a-16:1)-1 1981620 1189410 3292289 916864 1537210 1771988 1647251 307665 937838 1318592 LPE(a-16:1) 656408 414556 913504 257215 429952 446697 459743 93390 200049 338841 LPE(a-17:0)-1 257589 142371 531817 130056 277753 253825 325295 65975 176558 257768 LPE(a-17:0) 2546022 1266759 3176514 884922 1528039 1825779 2129589 523778 973980 1452318 LPE(a-17:1) 210264 104963 321668 60875 142416 0 195908 0 103652 155670 LPE(a-18:0)-1 17613020 8026830 24466762 6840495 12617777 6361089 9819890 2243614 6625465 7341494 LPE(a-18:0) 156076528 89673080 181193856 65129708 97849352 81135112 97874192 25082476 50720168 74653320 LPE(a-18:1)-1 12106822 6800190 10960945 4488764 10058200 11218940 12180410 5523160 5900550 7845467 LPE(a-18:1) 43451064 25451934 57858752 17615692 30212260 51873768 47635452 13441666 21931632 34003604 LPE(a-18:2)-1 5746443 4987838 5644957 4095494 4792736 4144432 3636219 1084371 3200393 2964023 LPE(a-18:2) 13866836 8673532 16882048 7466059 11113828 12067746 10694393 2725993 8693610 8624641 LPE(a-19:0) 223559 115402 286069 46432 216874 77307 162591 39795 98417 125055 LPE(a-20:1)-1 353764 292243 357231 154023 257047 217971 239987 58746 188667 199805 LPE(a-20:1) 1997561 1096681 2123609 670753 1354209 1047948 1446799 256076 745983 1143395 LPE(a-20:3) 395940 301369 595408 331769 451791 411751 416011 103627 284105 367112 LPE(a-20:4)-1 10422616 9469200 9259457 8597026 10478380 7026707 5405932 2259529 4215330 5208512 LPE(a-20:4) 4864655 3472256 6320506 3605091 5547552 3430208 3057416 1320203 2840012 2463310 LPE(a-20:5)-1 880837 944257 636124 652268 811470 370880 349344 153248 312144 312672 LPE(a-20:5) 548358 522483 687207 349074 586436 249828 260026 97410 251355 197902 LPE(a-22:1) 529630 251794 440528 117753 268019 0 313503 96927 130394 123336 LPE(a-22:4)-1 857493 629385 720767 594828 795158 532822 455412 260356 347875 401483 LPE(a-22:4) 1268009 575100 1425581 736915 1075289 795810 624287 338368 547001 508550 LPE(a-22:5)-1 8187826 5816577 9124654 5306815 8018209 5780514 5913372 2257946 5089215 4819047 LPE(a-22:5) 504942 517356 724000 476180 633705 323925 573904 134399 464550 357328 LPE(a-22:6)-1 94255840 82461840 82040672 76213384 93847312 94269672 87400848 39080080 72171376 91468816 LPE(a-22:6) 49918832 39221280 62890240 41252716 59047216 49139696 54819600 20849034 55030732 48712968 LPE(e-16:1) 34158544 21195846 42776252 18936928 24745376 19950488 22674164 6798471 15582210 18418460 LPE(e-17:1) 1134371 694463 1316707 634775 842425 1020568 1208260 378835 964788 904207 LPE(e-18:1) 19164764 12190450 21068498 10722472 14124758 12742746 16436330 5818632 15648163 13476059 LPE(e-18:2) 22112368 12851620 22654698 13268357 15558806 19390208 23245582 8503816 17933018 17588832 LPE(e-18:3) 1850479 917833 1564997 1179316 1279322 1024145 1374628 632653 1395062 947696 LPE(e-20:1) 637893 505518 539799 399964 517855 473651 541986 214514 524276 470886 LPG(a-16:0)-1 690829 446545 822713 506267 495383 724342 895333 143610 610537 1170725 LPG(a-16:0) 1200781 800952 1215350 804685 816469 659334 779734 162493 558218 715582 LPG(a-16:1)-1 92609 58555 92833 115252 77916 121626 165252 29231 129673 262912 LPG(a-16:1) 55706 25829 65053 45024 34333 78376 98283 15122 49165 97476 LPG(a-18:1)-1 9632037 6599145 10472689 7588125 7082799 13139215 14707064 3564623 8907159 14448574 LPG(a-18:1) 3148581 2672018 4161147 2609569 2636322 3984445 5679525 1080430 3616726 5041480 LPG(a-18:2)-1 5465994 3867683 5359242 4494771 3965130 5993195 6508413 1670345 4893832 7078045 LPG(a-18:2) 1943763 1580112 2258501 2001070 1479586 1968306 2228425 919814 2097691 2122190 LPG(a-22:5) 83305 5847 105889 111276 93689 110095 135522 19723 122768 174651 LPG(a-22:6)-1 3621892 1546599 2231739 2617505 2714753 2959225 3846999 1365857 2986731 5093214 LPG(a-22:6) 1245062 594010 1009414 1208692 1167104 1125662 1867928 799254 1660264 2211294 LPI(a-16:0)-1 2200584 1508466 2775968 1456723 1528331 1060702 1684359 591754 1245311 1087427 LPI(a-16:0) 537369 105308 220109 279221 274309 154892 239807 75527 273969 164213 LPI(a-18:0)-1 596332 197276 819531 300699 505264 325305 485616 72200 488965 329607 LPI(a-18:0) 42417776 28291494 42598680 24110716 29979332 26316168 31781190 11541578 26870390 25368240 LPI(a-18:1)-1 335952 127531 227370 194389 187142 466104 435877 78230 341743 282972 LPI(a-18:1) 1525312 811748 1908362 889528 976033 2069064 1946784 434649 1285904 1253609 LPI(a-20:3)-1 970010 466008 651751 775326 992789 415335 757142 161732 985748 620649 LPI(a-20:3) 631527 713278 785557 769154 590429 636332 859172 385417 1071391 578688 LPI(a-20:4)-1 9481137 6613833 8064938 7344892 7869696 6414566 8060731 3347598 11253850 7403680 LPI(a-20:4) 2421399 2048546 2260342 2011375 1899042 2757313 3287048 1925973 5104540 2665297 LPI(a-22:6)-1 3948164 2183319 2746040 2422418 2729639 3502547 4910795 1826847 5222062 5438574 LPI(a-22:6) 1477215 1085040 1052019 1152632 1032860 2326130 3162614 1979236 3884912 3226495 LPS(a-16:0) 0 188193 555635 44623 171791 1778476 2170423 379797 901390 1442258 LPS(a-18:0) 28182292 17161562 42513752 11126761 20562536 17325452 22483580 5133415 8299464 15649231 LPS(a-18:1)-1 504344 397564 517989 326902 584529 678285 1314739 491372 933713 723233 LPS(a-18:1) 875305 656862 1402335 417585 908599 1896172 3124712 1295327 2105880 1461854 LPS(a-19:0) 568255 267534 651992 183902 352692 333387 408997 82489 115917 256150 LPS(a-20:1) 317668 207201 309564 105457 181469 0 121725 0 0 112003 LPS(a-20:2) 76293 51504 110938 51329 51461 80590 54019 0 26457 0 LPS(a-20:4) 2331 34023 896 40033 45379 53447 59131 23824 49662 33175 LPS(a-21:0) 6819779 3756346 5822941 2723643 4555235 3997869 3276414 794068 668166 3755602 LPS(a-21:1) 686770 347434 642302 195928 380046 557230 446130 128550 55953 360353 LPS(a-22:0) 790748 379350 756296 241804 542139 489370 190529 50508 20885 293403 LPS(a-22:1) 1180873 629531 987326 365943 598376 392556 298543 30603 34342 227342 LPS(a-22:4) 133918 79773 141853 57453 77232 92674 99711 27159 44988 76500 LPS(a-22:5) 50516 193614 328491 240689 218760 201840 217312 40514 200221 219793 LPS(a-22:6)-1 4689446 3369236 5261328 4048690 4585039 3659266 4355917 1044170 4520192 4490377 LPS(a-22:6) 2536590 2201683 3433594 2704170 2310229 1720341 2236557 1080318 2430401 1985464 LPS(a-23:0) 1771068 913959 1605584 620248 1105454 1269692 1307329 354488 403818 1329391 LPS(a-23:1) 1536009 657507 1503549 277338 768141 779554 650077 180303 77543 497144 LPS(a-23:2) 1384990 783655 1168452 482711 724887 1743613 787832 180925 207786 859074 LPS(a-24:0) 418213 122295 394299 116350 177163 294284 336468 104743 155216 253233 LPS(a-24:1) 953107 480687 1039137 340460 514975 642645 514619 105387 79567 483239 LPS(a-24:2) 87323 393257 695406 0 678457 860084 1006483 323850 896748 1367422 LPS(a-24:3) 4913825 4390492 8693750 6609701 7630266 9360521 7115543 2696684 10249519 9417160 LPS(a-26:0) 53997 222735 77436 218057 68105 147983 281160 193 284703 36455 LPS(a-26:1) 1102380 616448 1050366 329661 528473 228556 306068 55913 80595 183768 LPS(a-26:2) 224767 214571 177169 105767 107785 230794 177609 35006 0 90493 MLCL(aaa-52:5) 5505076 2657644 3229240 5018945 3939607 1518684 1180163 400967 3092343 1693106 MLCL(aaa-54:5) 2362431 1615153 1396915 1161514 1308922 631434 740482 445703 563555 429048 MLCL(aaa-54:6) 72043696 31446034 38061120 53037944 53351660 11426284 20474868 2686480 25349132 14106127 MLCL(aaa-58:10) 28092774 9702011 9543410 14199919 14660616 6957060 12675856 1736354 12675792 14387584 MLCL(aaa-58:9) 3528812 869737 1390320 1810034 2263153 954550 1980153 361437 1448243 2086736 PA(aa-30:0) 975018 1002879 999028 1776352 1900082 557846 685949 606353 858111 1075415 PA(aa-30:1) 0 114237 0 134191 226107 126549 102114 60315 107598 148401 PA(aa-32:0) 10155274 11249654 11983864 16404677 13228689 6528721 7171994 2429864 7803141 8859789 PA(aa-32:1) 67770 126766 180960 506907 305491 232064 362751 243111 643630 547908 PA(aa-32:2) 25277 32573 84225 191937 101052 108298 127917 16901 178479 121793 PA(aa-34:0) 797623 759099 624649 896269 916610 432587 291855 171751 407205 458185 PA(aa-34:1) 14408690 10217788 14479771 17422076 15184310 20207636 18885816 2623228 15568002 21046576 PA(aa-34:2) 379598 212689 526223 1134568 804376 915728 810670 169662 1591720 1519425 PA(aa-36:1) 682028 1636359 2727838 3032761 5049400 4206182 5333993 402497 5052678 2841409 PA(aa-36:4) 1690186 1094872 1690307 2460380 2096040 2387863 1823731 804993 2412476 2129890 PA(aa-36:5) 1050081 445882 1822895 67554 489576 1496558 683729 901 182786 502533 PA(aa-38:2) 131463 604527 320037 709302 730437 692661 746422 179117 857766 310189 PA(aa-38:4) 3216122 2421938 2381851 5060445 4045017 3218753 3098576 1739878 3638290 3358576 PA(aa-40:4) 248855 489216 376357 559776 599831 686014 696149 316846 625304 655279 PA(aa-40:7) 587154 629588 329107 708810 495049 1451803 1250569 1544254 577382 1353330 PA(aa-40:8) 157320 232925 69206 722161 482758 898976 650394 502972 827671 797625 PE(aa-30:0) 1580022 868870 1630756 1194809 1360921 1839406 1926057 454055 1418718 1544428 PE(aa-30:1) 153076 92217 205732 317109 265028 303389 225931 0 346767 265985 PE(aa-32:0) 4830939 4327112 6114305 3729819 5092154 5420391 6114855 2565113 3005632 5556274 PE(aa-32:1) 30889602 28642466 35781496 29969898 27506764 62495824 44475672 18626866 36947580 43090828 PE(aa-32:2) 5349151 3600754 5030450 6753444 5542321 6482202 4958015 1952067 6596780 5284181 PE(aa-33:1) 1180872 647374 1361247 891367 1101839 1303031 1406493 552190 862940 1409814 PE(aa-33:2) 977914 847994 1057050 1221660 935257 1384471 759502 210468 842577 618215 PE(aa-34:0) 7349746 5200608 5760978 4422056 5371387 8537372 7320728 4362318 4891773 7547102 PE(aa-34:1) 78571848 71360800 86829040 72236752 74624240 137054192 116459592 66908944 89246360 94603776 PE(aa-34:2) 201509744 174802656 200330960 224909184 180574848 160641552 129692768 89113496 166215280 113954344 PE(aa-34:3) 24604456 21856978 23219702 31017670 22819432 29566922 19238726 8537157 26361090 20179308 PE(aa-34:4) 563855 137868 484675 950080 910866 338063 187048 128138 761316 481504 PE(aa-35:1) 486341 345197 291036 235405 408744 671820 389539 255786 460783 571031 PE(aa-35:2) 5641580 4785560 5148401 4829974 3725732 5927450 4160532 2555877 4060639 3075045 PE(aa-36:0) 1522785 907638 1024123 1064219 968703 488683 889135 38420 147807 570349 PE(aa-36:1) 74208240 66486112 79319096 67370392 71042856 113406272 108989256 80315312 82663896 80818496 PE(aa-36:2) 236506336 228134880 228666496 263463328 229097248 231140032 201261328 129907784 200516624 151165808 PE(aa-36:3) 127877912 142809712 119081872 123507584 97867128 150708560 106325360 56679160 92496448 73883584 PE(aa-36:4) 278276480 227410976 271648736 314622528 271609856 166118944 153195056 101600520 189496224 144007200 PE(aa-36:5) 55679748 48704076 56519568 75827984 62731944 22563732 24644442 11891274 33132784 24759694 PE(aa-36:6) 36958924 25628616 33142552 51068144 47450672 33340808 42008632 19564852 61862488 50781880 PE(aa-37:1) 1916348 1967116 1993437 1723148 1627128 3594066 2913415 1330308 2227549 2332483 PE(aa-37:2) 5877301 5204409 4924358 5791230 5413079 6002358 5327158 2947368 4080625 3608211 PE(aa-37:4) 8622218 6186983 7276056 8004635 7357834 4902347 3973483 3085308 3326858 3549582 PE(aa-37:5) 4306798 3575815 4406177 4077451 3398731 1535385 1363982 1164066 1990684 1243687 PE(aa-37:6) 17351014 13500854 16811682 19784222 19676922 23709902 25697194 13771715 25290768 25768214 PE(aa-38:1) 17701618 16193017 16245215 15897190 16037371 13464706 12558078 6102377 10325690 10094291 PE(aa-38:2) 17701646 15498200 16296244 14427884 13725606 23230688 16025598 9143626 12266619 13304580 PE(aa-38:3) 30967760 31500772 35080080 37991928 31359074 20283116 20077984 9485876 15694910 16859904 PE(aa-38:4) 485334624 414447872 462806656 529903488 515234880 247835440 254440832 162548432 251476480 253891440 PE(aa-38:5) 369563648 382855520 400575232 408126784 356989760 246361008 249094368 159781728 229343696 201643984 PE(aa-38:6) 3524942590 2962602240 3448710660 3743808260 3691476740 3782421500 4155168000 2975896060 4664399400 4327273000 PE(aa-38:7) 258422336 206282304 269154912 338907616 292338688 363054944 316263520 169626736 391975168 393976000 PE(aa-38:8) 3990889 2825606 3795552 6950769 5943621 6210124 5760765 3857278 13089838 9630166 PE(aa-39:4) 13453086 11514428 11258616 12827957 13866813 7385682 7195953 4853887 5806096 7252164 PE(aa-39:5) 7689388 6973457 8269093 8593392 8352086 5731773 6110257 7217973 6198874 5967368 PE(aa-39:6) 126559736 99695600 108256640 102895712 113972792 144675744 141700032 91117024 126605984 136446976 PE(aa-39:7) 34830572 31755702 33572272 32730652 32526384 70398456 53516488 28804880 44102172 53621952 PE(aa-39:8) 709917 665680 743372 1174653 958484 1119676 1086315 654199 1627819 1330068 PE(aa-40:1) 8275365 6608848 7361285 4907846 7791137 5144942 9736151 4604323 5982329 5036916 PE(aa-40:2) 6925363 6455915 5496148 4937548 6049280 5500769 6055658 3245319 4194350 4731783 PE(aa-40:3) 2271376 2428253 2113385 3017643 2179238 1814779 2374767 776281 1476952 1158094 PE(aa-40:4) 36936212 36565236 45084840 51918820 38782896 32927252 27480050 20520350 22193000 23151790 PE(aa-40:5) 82492784 76045664 87082112 84199600 73775816 43779456 60706016 39020840 48105740 46213764 PE(aa-40:6) 3336257020 2781381630 3040682750 3411089660 3464223490 2614084610 3032339970 2066646910 3179616000 3039514620 PE(aa-40:7) 1550831620 1305772540 1495692030 1576665600 1503462270 2239099900 1891632510 1252169470 1715721090 1988217600 PE(aa-40:8) 1270592770 886420540 1121978880 1331449980 1287801980 1380037630 1255825150 789931520 1559558910 1466343170 PE(aa-40:9) 43553804 28459036 36388360 57119200 53216616 46105592 45321188 26872622 74448832 64457948 PE(aa-42:1) 21311076 16089237 17696586 13122732 23656784 16656070 45467064 16828180 22248904 17605412 PE(aa-42:10) 42851044 29992700 32962244 51100464 53768428 57692088 50993440 34655632 64438476 74540184 PE(aa-42:11) 21042788 14341176 14375948 28853262 30767772 13440538 17406688 9702560 31467646 28300912 PE(aa-42:2) 5428208 4319716 3801450 3981076 4906323 3173313 6420013 3079500 4254131 3825968 PE(aa-42:3) 975527 1038038 999580 1257312 754684 937223 1041833 466220 795319 549165 PE(aa-42:4) 1936703 2484037 2210478 3398690 2425828 2030067 1635702 1062622 1250623 1603611 PE(aa-42:5) 6419628 5646177 5113600 6567990 6861565 2885036 3336032 2322779 3541879 3547287 PE(aa-42:6) 21990464 20316878 16235308 20139144 19141154 15781607 21825732 11289453 18264092 18222980 PE(aa-42:8) 22407852 17894022 18421086 21900828 21819524 19945128 20882102 15449716 18121632 21460072 PE(aa-42:9) 64270780 54433584 52969024 62125136 69290256 85291464 74682896 44295276 56939580 94737608 PE(aa-44:10) 122990120 100375824 100258992 121197768 128199184 71832224 78994000 70996784 68427992 82526848 PE(aa-44:11) 505002688 371242080 370297344 449658112 537493180 314437056 373574624 233609456 319683840 460578112 PE(aa-44:12) 55831736 35419592 37512072 56625104 68923240 85638064 87579792 43288844 80752080 143671552 PE(aa-44:4) 2305662 1606292 1799996 1853828 1925799 940884 1274154 643032 1319798 1227591 PE(aa-44:5) 2314248 1933106 1599478 2923859 2766789 1156344 1622680 855019 1394798 1808386 PE(aa-44:7) 33097780 28883310 23341868 28762896 32160016 14421895 19346200 13921567 19719828 15367766 PE(aa-44:9) 2250002 1870310 1480967 2668684 2451396 2184147 4088142 1948723 2394559 2583109 PE(ae-32:1) 5555399 5918206 6052837 5691965 6071468 4823291 3796722 2098241 4162449 3528428 PE(ae-34:1) 15290158 15266983 16416622 12010107 13323103 16952848 13737895 7947194 15353345 13997708 PE(ae-34:2) 190034432 157300576 188201744 183329584 202418256 226166896 216358336 142345312 210156224 190573728 PE(ae-34:3) 64038472 55164112 56250164 57959632 57564280 64000568 51142768 36791152 62574740 42898464 PE(ae-35:2) 6874408 5632504 6588343 5671648 7264982 22545020 25722132 23950154 25857260 20298858 PE(ae-35:3) 1966061 1795755 1921231 1842794 2075448 3337538 5091628 3459124 4121516 2982822 PE(ae-36:1) 1240927 2227717 1189415 886807 631731 1957263 1001286 309149 571731 714823 PE(ae-36:2) 172821184 137373136 177480688 153958288 230010400 243694416 301947168 251348464 325399328 224927248 PE(ae-36:3) 149371696 128453968 155881920 125034760 196954784 290403456 345995232 288733056 337799008 253444896 PE(ae-36:4) 32027866 29269368 30993668 30401364 31707924 55281664 55170968 40620476 56151916 39882024 PE(ae-36:5) 212423200 198494624 227866544 255697952 228698688 174312144 152964256 118636440 177618464 147002720 PE(ae-36:6) 48649624 49793452 42817304 58236296 51379200 20339372 22550536 18630568 32877908 21087364 PE(ae-36:7) 14837076 13351162 16326910 20078146 18668374 7459864 7909712 4528964 11182822 7590693 PE(ae-37:2) 1563057 1301734 1661681 1539984 1717348 2723880 3834677 2073442 3936807 3213966 PE(ae-37:3) 599199 1269637 747519 449641 564881 1805294 1750852 1533944 2278829 1834834 PE(ae-37:5) 3425900 3196091 3179047 3646943 3002956 3700098 2787814 1870744 3202481 3061704 PE(ae-37:7) 21311504 18665040 19343226 22152850 21940608 15751894 13292085 10279374 15657232 14740121 PE(ae-38:2) 13399850 12307561 11895440 11741449 14839283 10848269 11803252 5373517 11843306 11491498 PE(ae-38:3) 15119120 14414043 12370200 13040575 13169243 18216310 15640158 8835978 15370694 13375043 PE(ae-38:4) 5609561 7168323 6092928 6570002 6851860 8275915 8012397 4579917 6859250 6368452 PE(ae-38:5) 94045632 108682544 108657784 113334304 96899144 96859112 79219144 58253188 86879576 81499936 PE(ae-38:6) 227120064 228453184 229280448 248625984 217959568 226402224 212820224 128466960 216915216 188820528 PE(ae-38:7) 2289580030 1995706110 2237870850 2377278720 2377961470 2507556860 2330761980 1862167170 2622309890 2580619780 PE(ae-38:8) 30217320 26744290 29130488 33868948 30923688 38019120 34730384 26126036 39330128 40831764 PE(ae-39:3) 180689 1191619 269725 204880 38044 755083 1222200 70771 222038 751611 PE(ae-39:5) 2201882 2740992 2950347 2837959 3094645 3608030 2841730 2833197 3048911 2490238 PE(ae-39:6) 11382528 11332157 11086183 12879470 12649452 16139446 14554198 10549660 16156148 12446213 PE(ae-39:7) 66382660 57700480 60910952 66082096 68726104 116826752 109213440 78217976 126909504 121888416 PE(ae-40:2) 5470372 6000300 4549182 2282482 3784771 5387680 6281242 1082891 1911219 3772206 PE(ae-40:3) 4601743 6390499 4214089 3011513 4302676 5643772 6248301 1802778 3594386 3687931 PE(ae-40:4) 4577007 4127859 3863120 4178196 4776227 4325147 4588373 2217158 5128250 4424979 PE(ae-40:5) 40959044 41661532 40316040 52400000 47361444 47156504 38417108 27776806 45976676 38690716 PE(ae-40:6) 164274848 167966544 167472752 185062864 170202896 218925024 206477792 162416736 245086432 207779360 PE(ae-40:7) 795504380 772766400 806115010 859733760 869788610 1167000700 1083589250 866511420 1353974780 1304336770 PE(ae-40:8) 775311360 641359620 750933630 824986880 769212480 1368562300 1213102210 843202110 1192896900 1390898300 PE(ae-40:9) 152824592 114722896 134694560 162782800 157801984 153802656 126977584 127421992 177949968 178259360 PE(ae-42:7) 53424112 57569184 50240472 59711616 63952180 81334448 65588360 35465504 80033016 86987152 PE(ae-42:8) 6881954 8003999 7172522 6460503 7402570 11413132 10047773 7038227 10709891 15361534 PE(ae-42:9) 214687 372475 210968 234879 220473 219308 189388 249293 154513 401587 PG(aa-30:0) 10020196 6468424 9004138 9042928 8315897 5415149 9764188 1325970 7164275 9163255 PG(aa-30:1)-1 327322 155811 363438 287116 282568 388450 390534 139 238182 337852 PG(aa-30:1) 219213 128291 302837 131317 192392 560559 235232 0 36762 313098 PG(aa-31:0) 4405484 3031854 4633364 3980551 3571066 3689230 4677498 584512 3177906 5132010 PG(aa-31:1) 465001 162795 539215 282609 468797 947868 575842 26824 454486 952010 PG(aa-32:0) 69307968 59403696 77216224 64530488 63480136 71116752 78397376 19148032 59468008 78463568 PG(aa-32:1) 42375136 31195660 44825720 46592096 40567904 73988400 72484904 14637664 53229248 88667056 PG(aa-32:2) 7987197 5819058 10827500 6410785 8475078 25012602 10794713 904594 7582889 18691640 PG(aa-33:0) 1180117 845644 1183111 560421 896792 1530861 1311849 386812 492620 1442664 PG(aa-33:1) 21297648 13955033 20341406 19127950 18522844 28901812 29303598 4987305 17400042 31031930 PG(aa-33:2) 1038082 573831 815169 791322 784661 1653771 1368210 160619 1212870 2001494 PG(aa-34:0) 170282400 84599072 143010320 126495656 144869344 266607744 322835136 32327516 195538336 488514784 PG(aa-34:1)-1 18043846 6817272 18391476 16035065 18769012 14861995 18116862 2499763 29764068 22418806 PG(aa-34:1) 1000187780 761722370 969992510 884828670 913902080 1026841790 926907520 464787296 736033090 1066663810 PG(aa-34:2)-1 13627191 8627581 15394561 13818336 11838463 22237250 23873272 4843205 25907556 26258864 PG(aa-34:2) 323528448 231733456 295265088 307341760 267653536 349676928 325283264 111317664 283455520 359408512 PG(aa-34:3)-1 2092115 1849096 2270288 1847649 1451690 3398706 3525440 1179785 3449057 4008073 PG(aa-34:3) 3134207 2399857 5028327 3030228 3461632 8324333 6050860 1258925 6026014 7460492 PG(aa-35:1) 5404018 4096130 5877552 4207961 4920335 5275570 4832772 1450028 3129963 5099755 PG(aa-35:2) 2134345 2411914 2362641 1747494 1665996 1217617 1427687 1463690 342233 915902 PG(aa-36:1) 204407488 90760424 159460224 201088016 203247392 168731424 224812960 41601952 261833168 260592096 PG(aa-36:2)-1 201753328 137450432 179087392 158551056 138317184 374557376 352388032 96366760 253910944 264475872 PG(aa-36:2) 165122512 148280688 147336464 128088224 135244448 108767632 91928128 60565100 60689056 85932592 PG(aa-36:3)-1 9004376 6891329 9843922 8107336 7437749 22783934 13674817 2869060 13411769 14678432 PG(aa-36:3) 198315872 154626960 193961312 176050336 153146320 316147456 327012096 116041024 307855168 270591456 PG(aa-36:4)-1 166136320 124845256 181185440 123493568 136917808 332831712 189063792 35022968 165506864 202506112 PG(aa-36:4) 21927096 26936988 31068428 25209788 18839032 42770348 35475436 13605905 31845258 31763096 PG(aa-36:5)-1 1867233 1264488 1795624 1524602 946283 1642768 1661191 697996 2143240 1624739 PG(aa-36:5) 1727526 1052081 2457061 1118486 1342467 2668109 1482019 204629 1926357 2944131 PG(aa-38:2) 32352698 21628660 19532180 16976052 17593470 21100938 32973928 11265622 34915776 24860746 PG(aa-38:4) 71954120 43118792 68207736 38202804 44232696 124780320 140309584 39065000 89176160 237528048 PG(aa-38:5)-1 20121268 17752938 21470034 33495232 24633794 56253164 70315920 11884622 44297364 105809904 PG(aa-38:5) 13854217 9383068 15068924 11098125 11839584 21272046 24171966 7680102 17863622 23707180 PG(aa-38:6)-1 32522368 14756401 43586616 16293459 27578932 71974984 39032988 4498336 30014756 52968736 PG(aa-38:6) 5561054 3835281 9159656 5556721 3836986 11920820 9515020 3150596 8176632 9212241 PG(aa-38:7)-1 8291461 4070581 8569996 3626481 4063786 8000421 6617481 1854750 4665325 7377044 PG(aa-38:7) 405171 404067 814706 538380 708179 1767974 1426526 358117 1110427 2215188 PG(aa-40:5) 475755 295368 262497 1107980 705801 788727 1733104 727523 3502226 1812266 PG(aa-40:6) 1303819 1067571 900662 3415814 2769111 8174618 8758660 2114231 9656352 14371902 PG(aa-40:7) 91810800 48448872 86139144 68709248 78018056 182150272 159443088 50678920 132926856 222123968 PG(aa-40:8) 137270768 79570312 121720368 101508440 122151528 320295584 192702880 44932924 152055840 290750816 PG(aa-40:9) 906994 644993 688468 662212 603142 1534909 1017919 465921 1244435 1924739 PG(aa-42:10) 7680462 4756049 7682488 9873156 10799088 44604956 24656700 6189149 22555554 44102516 PG(aa-42:11) 1006087 862070 850605 1479552 1121910 2997280 3299247 1382480 3507671 4548230 PG(aa-42:8) 1619945 744674 2352093 1730999 1637571 7320086 3887968 1598213 4475546 4963436 PG(aa-42:9) 2507273 1233533 3093617 2362241 1984945 12608682 7450228 1558946 5721474 11480090 PG(aa-44:11) 2373977 1317579 1864656 4726298 2876063 10708585 9830014 3835997 12013260 17985366 PG(aa-44:12) 48708948 31271640 41567568 54761108 65667280 194112512 129701928 37191976 106845536 241007536 Phytocer(18:0) 2541302 2198156 2103142 1760506 1975147 6413989 7719955 6762565 6980875 7218372 Phytocer(22:0) 2261463 2826553 2327877 1939845 1868233 2894455 2912214 1584640 2849296 2722291 Phytocer(22:1) 795620 227424 83834 507888 585671 3417341 4931674 3801145 2556026 3531915 Phytocer(23:0) 3043308 2157623 2177707 2661599 2726648 2310766 2749499 1291265 2495250 2623402 Phytocer(24:0) 6085277 5201333 4835877 4230963 4792712 4840974 5195766 1918010 4153288 4246491 Phytocer(24:1) 7910013 6715569 6916339 6714533 8256268 8149763 9669047 5625344 12395045 9522940 Phytocer(24:2) 5898189 2894724 1836106 1297845 3487457 5281238 4992491 2399442 2752770 3425383 Phytocer(25:1) 1975690 872179 1137897 948215 1211227 2092754 2619856 1032236 2110966 1959416 Phytocer(25:2) 4183341 1953390 2497398 2600226 3169573 3852323 4593642 1431731 3532228 4135645 Phytocer(26:1) 453528 0 0 866919 548074 576578 313516 0 683412 717538 Phytocer(26:2) 518776 251561 402500 166874 334887 332500 881229 156593 594555 742471 PI(aa-32:2) 0 0 1857 23097 19070 0 19223 21 69507 11403 PI(aa-34:2) 4061439 1480199 4364821 7928297 8087448 7118721 4773302 1975405 15695250 7073978 PI(aa-34:3) 7322729 4792844 8970556 9807243 9857428 16204264 7408222 3134640 14307002 9144019 PI(aa-34:4) 145846 145249 126142 529565 386241 100844 148447 117014 1082543 396108 PI(aa-36:1) 275811072 165712640 258842656 284980032 280786848 640755520 565928510 152407200 570994110 459578208 PI(aa-36:2)-1 284501344 175575856 228728768 268746528 259082864 355126144 286470880 50508256 328867840 253538992 PI(aa-36:2) 99287920 142341504 119054368 96783776 87423232 89355744 72274568 170636576 69163208 59376308 PI(aa-36:3) 76901400 35759100 56748884 84739232 74027304 141919552 97145904 12901511 116453752 87152960 PI(aa-36:4) 27132892 15796148 24054382 53164012 44686640 39404504 41488708 13271664 81089656 42485652 PI(aa-36:5) 8441007 4021929 10865464 6982139 7414773 7802343 5041496 1818954 7816608 6930364 PI(aa-38:1)-1 5384642 4217996 4770841 5181332 5818325 7213751 6846641 5195119 10234863 8032309 PI(aa-38:1) 840233 348506 690695 765233 780660 528035 1176012 717970 2112635 1318933 PI(aa-38:2) 17017668 10540022 12506726 17842462 17626356 14109924 20366746 13590764 26644620 18472492 PI(aa-38:3) 4018315520 3209122560 3850274050 4303158800 4218903300 4345912800 4804053500 1717593220 4965974500 4525315100 PI(aa-38:4)-1 229850224 89015384 223413728 258296640 269734656 248625568 237938240 51417852 541101630 275344704 PI(aa-38:4) 6006314000 5132859400 5779757100 6016220700 5887938600 6260234200 5969799700 3944892420 6415996900 6057693700 PI(aa-38:5)-1 37292304 12280036 33965928 60143124 56162816 43891456 51724296 10630811 109277144 64382776 PI(aa-38:5) 1090014340 842376190 1048174270 1127326210 978695810 1355995900 1081888260 671536640 1095544830 974819260 PI(aa-38:6)-1 26752576 12472947 20238736 40478100 43345208 26020088 24526708 9709214 61826872 41228344 PI(aa-38:6) 20156 0 19155 161927 141529 0 48315 10823 675597 115327 PI(aa-40:3) 537304 316063 311974 514731 602139 23528 727205 207282 838172 688707 PI(aa-40:4) 26710878 24082410 27690668 45787972 32509864 24884232 31163216 21011080 36384400 26386852 PI(aa-40:5) 1347971200 1135913980 1342227710 1472010750 1441767300 1224895490 1423272320 918986500 1607530500 1536637440 PI(aa-40:6) 1784717440 1418442880 1673459200 1747321220 1827813890 2806864380 2971506430 1788785020 2920338430 3585425150 PI(aa-40:7) 232608960 172796912 219897504 237024672 220265248 609312770 518287936 259374560 404826304 605191300 PI(aa-40:8) 660529 268498 798091 2196450 2372561 3211389 1544733 639388 5385114 4874591 PS(aa-32:0) 1453069 1555855 1762965 1231305 1174796 1976956 2027772 1255229 981306 1920755 PS(aa-32:1) 52513 191519 0 115890 98097 1374046 693169 435894 806780 677139 PS(aa-32:2) 713705 0 1090756 64350 427086 0 244624 0 0 103276 PS(aa-34:0) 6153890 6239056 6700080 6430149 6538983 9589283 8082813 6008675 9717040 8937862 PS(aa-34:1) 7426994 3701435 5098991 8399249 9319168 24418056 17863836 3149471 13022146 12608436 PS(aa-34:2)-1 1295313 190499 988192 351454 714891 770960 577390 129590 1091588 681475 PS(aa-34:2) 8933022 7103447 8297516 8195659 8349514 14483552 11125972 7191575 12023544 10001678 PS(aa-34:3) 1047973 795715 1466664 623362 831616 1158556 484410 69601 280864 403461 PS(aa-34:4) 7496861 4354905 11159382 1969954 3823146 12895095 7101745 482187 1254811 5042856 PS(aa-36:0) 156661072 156076784 175372224 148264048 141202832 253083632 203160256 145777216 186383904 182979360 PS(aa-36:1) 282150624 213875104 256091792 271404416 322177568 365788832 457668544 241763232 506218496 358492992 PS(aa-36:2) 79785752 78503616 69077000 83032376 81719264 100279760 83851096 56221784 96473080 70965560 PS(aa-36:3) 7539695 7068414 5857262 8769562 7512268 13310078 9405342 7784772 9992524 7745621 PS(aa-36:4)-1 7449806 3411088 7037897 3759556 4681817 6080571 3974993 1222311 4749644 5040143 PS(aa-36:4) 6419548 5195733 5944514 3983127 4435154 5453762 4837258 4357800 4083287 4512791 PS(aa-36:5)-1 899240 910714 818268 626078 669360 834172 697822 341371 491217 534574 PS(aa-36:5) 7252329 4551734 8929730 3012406 5457119 15167601 5447758 639772 1465068 5487368 PS(aa-36:6) 359982 318444 167892 281061 268088 674232 496120 172869 607026 540503 PS(aa-38:0) 993679100 907924420 1022313860 907874240 917808190 1287460350 1115638020 861629950 1110368130 1115163010 PS(aa-38:1) 619704190 600192000 639107970 660481730 574203260 441836992 340860096 393873024 477017824 303103296 PS(aa-38:2)-1 2977274 2419955 2737842 3813149 4290708 3502658 3532684 816325 6303288 3559030 PS(aa-38:2) 123127472 129609400 124703304 136141088 111227200 147447808 101564544 98183760 128444720 95847016 PS(aa-38:3)-1 63709520 45395108 51319448 72408256 63770464 59889396 58439624 18526780 65911268 60521384 PS(aa-38:3)-2 27838166 28290952 25115688 30641444 27309684 20349808 18870670 15183554 19051934 18342958 PS(aa-38:3)-3 2858848 2505442 2559721 4713992 4235675 3185976 4168145 1988105 3635911 3949428 PS(aa-38:4)-1 51122700 32190550 40091716 53078872 54061188 52771340 52285836 17800286 62147660 58753664 PS(aa-38:4)-2 23441132 30808930 23727892 28042364 24349596 30535290 24983714 30684074 24032616 24793958 PS(aa-38:4)-3 8679977 9805750 6966187 9187080 9666020 9753549 13149723 16601444 11034038 10114162 PS(aa-38:5)-1 13043467 9863328 10806475 16601368 14872354 71607688 68093040 34838200 92171424 73450304 PS(aa-38:5) 2228229 4915541 2497025 3274214 2048794 1870713 2524353 7352751 1639265 1241825 PS(aa-38:6)-1 13687276 8134196 13036919 18086032 16913422 29426606 39483136 16796766 96299440 51448124 PS(aa-38:6) 76654640 72723376 77236784 80312144 73389672 575630340 626160000 443649728 707228480 629738500 PS(aa-38:7) 379377 183944 343554 637488 668542 727610 566913 248864 1491460 693104 PS(aa-40:0) 269914336 249838192 271290944 249495648 252478512 353782176 315073312 246384352 308777696 304460352 PS(aa-40:1) 356998976 373990368 347279680 337392576 313633056 613013180 432208064 305172704 408462144 361061568 PS(aa-40:2) 241191104 242683040 241340048 245824896 215122176 261515008 208751936 156634032 200875296 179554624 PS(aa-40:3)-1 131767616 99692576 125177728 139247680 129073360 94599440 76050768 58519088 121137408 70857776 PS(aa-40:3) 422568064 396565056 426678720 437733024 418904992 249601536 232958368 263486720 258979584 232898624 PS(aa-40:4)-1 194333616 127945400 163227264 173751648 187324944 102141920 114899688 58563376 100807600 111025920 PS(aa-40:4) 94477136 103065688 92464592 101761760 89154696 61027408 55477392 46758172 58587744 58254680 PS(aa-40:5)-1 438556224 299684736 378128096 398285792 417832320 249849152 283050176 120379616 243770016 270422240 PS(aa-40:5) 82955336 81525136 69456168 83150832 86827232 106384320 123423296 102323496 110639776 137471856 PS(aa-40:6)-1 1487920640 1375520510 1444236290 1694824960 1610875900 1563350910 1599622140 1056234750 1696021250 1700884740 PS(aa-40:6) 10978475 7717976 9574492 13377402 12340051 9760646 12557180 5673641 15527434 15359826 PS(aa-40:7)-1 6450315 5239218 6085134 11685749 9459779 10959158 9388926 6764671 18726468 10653241 PS(aa-40:7) 81607352 73361568 74817584 96108808 86855456 159297216 137588000 105140312 140706128 144605408 PS(aa-40:8)-1 39897800 40114808 33334660 53507568 48459048 54311960 56025240 53715252 83704592 63973440 PS(aa-40:8) 3586041 1321837 5296380 1733397 2155652 1613433 1253225 777781 4109287 1987710 PS(aa-40:9) 130186 287737 220700 1104756 513776 821127 1444346 1731906 7885479 2715568 PS(aa-42:0) 15766230 13390612 13417091 12054979 14118790 14298660 14412478 9652164 16329026 13745322 PS(aa-42:1)-1 33023424 29182468 30469096 27450678 27534796 41927620 37448060 24180552 32507526 36052256 PS(aa-42:1) 31254404 21688048 27801784 22914730 43990704 27125374 66362708 39600760 57026584 36223332 PS(aa-42:10) 9561295 3358841 14206451 1089477 2603122 6253918 3257215 182158 1113556 2071346 PS(aa-42:11)-1 684452 909844 412585 1627154 1406237 1001290 935584 792797 2831398 1696739 PS(aa-42:11) 479226 1702863 470882 3346698 2549289 1763872 2011414 3926230 7130706 3572924 PS(aa-42:2)-1 13480294 10375280 11910222 10617418 15241089 12103598 19125502 10932884 17293828 12919892 PS(aa-42:2) 55644140 56164488 57429316 61831756 58390188 59143412 57659780 37174812 46927544 50814540 PS(aa-42:3) 211576544 180861216 206941232 221057104 208850960 175752944 178056112 148236256 185468256 169861920 PS(aa-42:4) 394058880 404776896 411828608 402185216 413741312 360804384 414683584 384658336 401069248 370410272 PS(aa-42:5) 1631347580 1403111810 1500422660 1540598400 1713207680 1711719680 1900664190 1921879550 2061369980 2100512380 PS(aa-42:6)-1 207560416 213853056 197595040 219511424 214402416 410929408 361358368 324793216 333795840 434980736 PS(aa-42:6) 5183050 2248669 3899198 6904178 6970922 3652269 5899078 2031721 13412761 10345495 PS(aa-42:7) 14023636 11988623 12887622 16978530 14878372 27262280 21402052 15087762 28747964 28818916 PS(aa-42:9) 29631134 33856344 30213040 42141488 40428612 31798812 32817824 33275410 39650120 37630048 PS(aa-44:0) 14884111 13541597 15441818 11295397 22274774 8803689 15578206 8791209 13360309 9640415 PS(aa-44:1) 6157659 5801796 6150107 4665894 6319993 4663883 6624806 3515504 4771018 4804495 PS(aa-44:10) 15861950 16309680 12127472 21260264 20323808 15140361 18269992 29466990 16799790 18129976 PS(aa-44:11) 58005816 55265280 39977960 97047464 98087216 47871048 60640896 66682392 73842240 92938872 PS(aa-44:3) 12062533 10397795 11653162 13417213 11095353 11537043 12778716 10509379 10335378 11134710 PS(aa-44:4) 55432920 51884584 53504724 52021980 55760960 58839548 76020048 61641904 76635304 69271624 PS(aa-44:5)-1 53730320 38000228 43408060 48666104 52343896 81876312 78298496 66881868 87872384 80539200 PS(aa-44:5) 462048384 372260160 357764704 343038880 404300512 436352352 565790210 438509664 537175680 605882690 PS(aa-44:6)-1 33392710 24214892 25803900 28613828 29865772 45757528 40417188 35554724 47161928 44412752 PS(aa-44:6) 122728424 109313344 101711952 91708832 104170472 316430816 256320240 222123520 208866960 288134592 PS(aa-44:7) 279763232 226640672 213008400 219397296 243384192 368393472 324280800 262578688 352840064 374224992 PS(aa-44:8) 6046167 5604829 4209855 7067265 6596529 6864594 7188942 7397302 9094696 9664604 Sphingosine-1-phosphate 291700 161748 0 252325 248329 203971 251335 93484 260966 195581 Sulfatide(Hex/14:0) 417869 253755 287149 283023 408966 212248 351986 204186 151956 286870 Sulfatide(Hex/16:0) 21094592 6738921 24283982 5483315 14759850 19837222 8817398 514678 1990883 9875067 Sulfatide(Hex/18:1) 2918601 1247317 4547012 521899 1448899 7341929 2442826 115581 884309 2367819 Sulfatide(Hex/20:0) 98376032 58971460 78292384 79501560 143868896 228239376 401213440 179182832 379764672 257812240 Sulfatide(Hex/20:1) 3105123 3067773 3579974 1812605 2026350 3330486 9113693 2415448 10024898 5420314 Sulfatide(Hex/20:2) 5788211 4184933 6422495 2989426 4125607 4005101 2546057 1489460 1247967 2181782 Sulfatide(Hex/21:1) 430999 115113 355390 117817 110981 273060 626780 330142 919703 424232 Sulfatide(Hex/22:0) 5067598 4037200 4338038 3755096 4320684 7526766 9073439 7235278 8302482 7156968 Sulfatide(Hex/22:1) 18350026 10678149 16386453 16683820 30127090 31589352 70189624 30800086 79691024 41394928 Sulfatide(Hex/23:2) 395035 458303 874788 43658 247664 229512 115839 7343 124476 64949 Sulfatide(Hex/24:0) 8757995 3701439 8000135 3192977 11527651 14117672 32760016 19528472 23429546 13704332 Sulfatide(Hex/24:1) 10637322 7393191 10528796 8194862 15165027 15291369 35003908 23445896 28387452 19219088 Sulfatide(Hex/24:2) 62619328 42858936 56459072 68402880 90522992 66701692 114750080 57353656 140224656 77462256 Sulfatide(Hex/24:3) 1444934 955198 1531158 2268152 3489203 1470881 5278116 4252520 5831389 2642805 Taurohyocholate 4167622 2925383 1033095 1296760 1371818 7416303 3345577 1490708 1502724 786684 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Ion rtimes ObsMass ObsMZ Cer(14:0) M+Acid 9.73 509.5 568.494 Cer(16:0) M+Acid 10.00 537.5 596.525 Cer(16:1) M+Acid 9.81 535.5 594.510 Cer(17:0) M+Acid 10.12 551.5 610.540 Cer(18:0) M+Acid 10.23 565.5 624.556 Cer(18:1) M+Acid 10.05 563.5 622.541 Cer(18:2) M+Acid 9.89 561.5 620.525 Cer(19:0) M+Acid 10.33 579.6 638.571 Cer(19:1) M+Acid 10.17 577.5 636.556 Cer(20:0) M+Acid 10.43 593.6 652.588 Cer(20:1) M+Acid 10.28 591.6 650.571 Cer(21:0) M+Acid 10.53 607.6 666.603 Cer(22:0) M+Acid 10.61 621.6 680.618 Cer(22:1) M+Acid 10.47 619.6 678.603 Cer(23:0) M+Acid 10.71 635.6 694.634 Cer(23:1) M+Acid 10.57 633.6 692.619 Cer(23:2) M+Acid 10.41 631.6 690.602 Cer(24:0) M+Acid 10.78 649.6 708.649 Cer(24:1) M+Acid 10.63 647.6 706.633 Cer(24:2) M+Acid 10.50 645.6 704.618 Cer(24:3) M+Acid 10.38 643.6 702.601 Cer(25:0) M+Acid 10.85 663.7 722.664 Cer(25:1) M+Acid 10.72 661.6 720.649 Cer(25:2) M+Acid 10.60 659.6 718.633 Cer(26:0) M+Acid 10.93 677.7 736.679 Cer(26:1) M+Acid 10.80 675.7 734.665 Cer(26:4) M+Acid 10.44 669.6 728.620 Cer-1P(24:1) M-H 10.48 727.6 726.579 Cholesterol sulfate M-H 8.22 466.3 465.304 CL(aaaa-64:2) M-H 10.38 1348.9 1347.931 CL(aaaa-66:1) M-H 10.60 1379.0 1377.977 CL(aaaa-66:2) M-H 10.51 1377.0 1375.962 CL(aaaa-66:3) M-H 10.39 1375.0 1373.945 CL(aaaa-66:4)-1 M-H 10.32 1372.9 1371.932 CL(aaaa-66:4) M-H 10.25 1372.9 1371.929 CL(aaaa-67:3) M-H 10.45 1389.0 1387.962 CL(aaaa-67:4) M-H 10.37 1387.0 1385.947 CL(aaaa-68:2) M-H 10.64 1405.0 1403.992 CL(aaaa-68:3) M-H 10.54 1403.0 1401.978 CL(aaaa-68:4) M-H 10.44 1401.0 1399.961 CL(aaaa-68:5) M-H 10.33 1399.0 1397.948 CL(aaaa-68:6) M-H 10.26 1396.9 1395.931 CL(aaaa-69:3) M-H 10.59 1417.0 1415.992 CL(aaaa-69:4) M-H 10.51 1415.0 1413.977 CL(aaaa-69:5) M-H 10.39 1413.0 1411.962 CL(aaaa-69:6) M-H 10.31 1411.0 1409.948 CL(aaaa-70:3) M-H 10.72 1431.0 1430.008 CL(aaaa-70:4) M-H 10.55 1429.0 1427.991 CL(aaaa-70:5) M-H 10.46 1427.0 1425.978 CL(aaaa-70:6) M-H 10.37 1425.0 1423.962 CL(aaaa-70:7) M-H 10.28 1423.0 1421.949 CL(aaaa-70:8) M-H 10.24 1420.9 1419.931 CL(aaaa-71:4) M-H 10.61 1443.0 1442.008 CL(aaaa-71:5) M-H 10.53 1441.0 1439.992 CL(aaaa-71:6) M-H 10.44 1439.0 1437.978 CL(aaaa-71:7) M-H 10.34 1437.0 1435.963 CL(aaaa-71:8) M-H 10.26 1435.0 1433.946 CL(aaaa-72:5) M-H 10.57 1455.0 1454.005 CL(aaaa-72:6) M-H 10.51 1453.0 1451.991 CL(aaaa-72:7) M-H 10.40 1451.0 1449.975 CL(aaaa-72:8) M-H 10.32 1449.0 1447.963 CL(aaaa-72:9) M-H 10.25 1447.0 1445.946 CL(aaaa-73:6) M-H 10.57 1467.0 1466.008 CL(aaaa-73:7) M-H 10.47 1465.0 1463.992 CL(aaaa-73:8) M-H 10.39 1463.0 1461.974 CL(aaaa-74:10) M-H 10.37 1473.0 1471.959 CL(aaaa-74:8) M-H 10.47 1477.0 1475.991 CL(aaaa-75:10) M-H 10.43 1487.0 1485.976 CL(aaaa-75:11) M-H 10.35 1485.0 1483.960 CL(aaaa-75:9) M-H 10.54 1489.0 1487.990 CL(aaaa-76:10) M-H 10.54 1501.0 1499.991 CL(aaaa-76:11) M-H 10.40 1499.0 1497.974 CL(aaaa-76:12) M-H 10.33 1497.0 1495.962 CL(aaaa-76:9) M-H 10.63 1503.0 1502.007 deoxy-Cer(20:0) M+Acid 10.45 577.6 636.594 deoxy-Cer(22:0) M+Acid 10.63 605.6 664.623 deoxy-Cer(24:0) M+Acid 10.77 633.6 692.655 deoxy-Cer(24:1) M+Acid 10.65 631.6 690.638 deoxy-DHC(17:0) M+Acid 10.36 537.5 596.561 deoxy-DHC(18:0) M+Acid 10.40 551.6 610.577 deoxy-DHC(20:0) M+Acid 10.58 579.6 638.608 deoxy-DHC(22:0) M+Acid 10.76 607.6 666.639 deoxy-DHC(23:0) M+Acid 10.83 621.6 680.654 deoxy-DHC(24:0) M+Acid 10.90 635.7 694.670 DHC(18:0) M+Acid 10.31 567.6 626.570 DHC(20:0) M+Acid 10.51 595.6 654.603 DHC(22:0) M+Acid 10.69 623.6 682.634 FFA(C14:0) M-H 7.85 228.2 227.202 FFA(C14:1) M-H 7.53 226.2 225.186 FFA(C14:2) M-H 7.16 224.2 223.171 FFA(C16:0) M-H 8.36 256.2 255.233 FFA(C16:1) M-H 8.01 254.2 253.218 FFA(C16:2) M-H 7.70 252.2 251.202 FFA(C17:0) M-H 8.57 270.3 269.249 FFA(C17:1) M-H 8.25 268.2 267.233 FFA(C18:0) M-H 8.80 284.3 283.265 FFA(C18:0-OH) M-H 7.73 300.3 299.259 FFA(C18:1) M-H 8.48 282.3 281.249 FFA(C18:1-OH) M-H 7.53 298.3 297.243 FFA(C18:2) M-H 8.19 280.2 279.233 FFA(C18:2-OH) M-H 7.21 296.2 295.228 FFA(C18:3) M-H 7.92 278.2 277.217 FFA(C20:0) M-H 9.18 312.3 311.295 FFA(C20:1) M-H 8.87 310.3 309.279 FFA(C20:2) M-H 8.62 308.3 307.264 FFA(C20:3) M-H 8.37 306.3 305.248 FFA(C20:4) M-H 8.18 304.2 303.233 FFA(C20:5) M-H 7.92 302.2 301.217 FFA(C22:0) M-H 9.53 340.3 339.327 FFA(C22:1) M-H 9.24 338.3 337.310 FFA(C22:2) M-H 9.00 336.3 335.295 FFA(C22:3) M-H 8.78 334.3 333.280 FFA(C22:4) M-H 8.55 332.3 331.264 FFA(C22:5) M-H 8.32 330.3 329.249 FFA(C22:6) M-H 8.13 328.2 327.233 FFA(C22:6-OH) M-H 7.06 344.2 343.228 FFA(C24:0) M-H 9.83 368.4 367.358 FFA(C24:1) M-H 9.55 366.3 365.343 FFA(C24:5) M-H 8.69 358.3 357.280 FFA(C24:6) M-H 8.50 356.3 355.264 FFA(C30:0) M-H 10.56 452.5 451.452 GD1(17:0) (M-2H)/2 8.50 1823.0 910.471 GD1(18:0) (M-2H)/2 8.60 1837.0 917.478 GD1-NeuGc(16:0) (M-2H)/2 8.41 1840.9 919.458 GD1-NeuGc(24:1) (M-2H)/2 9.18 1951.0 974.510 GD3(18:0) (M-2H)/2 8.76 1471.8 734.912 GM3(18:0) M-H 9.27 1180.7 1179.734 GM3(18:1) M-H 9.13 1178.7 1177.718 GM3(24:1) M-H 9.75 1262.8 1261.811 GM3-NeuGc(18:0) M-H 9.26 1196.7 1195.730 GT1(18:0) (M-2H)/2 8.17 2128.1 1063.025 GT1(22:0) (M-2H)/2 8.67 2184.1 1091.055 Hex-Cer(16:0) M+Acid 9.81 699.6 758.577 Hex-Cer(18:0) M+Acid 10.05 727.6 786.608 Hex-Cer(20:0) M+Acid 10.29 755.6 814.639 Hex-Cer(20:0)-OH M+Acid 10.24 771.6 830.634 Hex-Cer(22:0) M+Acid 10.48 783.7 842.671 Hex-Cer(22:0)-OH M+Acid 10.43 799.7 858.667 Hex-Cer(22:1) M+Acid 10.33 781.6 840.655 Hex-Cer(22:1)-OH M+Acid 10.26 797.6 856.649 Hex-Cer(23:0) M+Acid 10.57 797.7 856.687 Hex-Cer(23:1) M+Acid 10.41 795.7 854.671 Hex-Cer(24:0) M+Acid 10.66 811.7 870.701 Hex-Cer(24:0)-OH M+Acid 10.61 827.7 886.697 Hex-Cer(24:1) M+Acid 10.50 809.7 868.687 Hex-Cer(24:1)-OH M+Acid 10.44 825.7 884.680 Hex-Cer(24:2) M+Acid 10.37 807.7 866.670 Hex-Cer(24:2)-OH M+Acid 10.29 823.7 882.664 Hex-Cer(25:0) M+Acid 10.74 825.7 884.717 Hex-Cer(25:0)-OH M+Acid 10.70 841.7 900.712 Hex-Cer(25:1) M+Acid 10.58 823.7 882.701 Hex-Cer(25:1)-OH M+Acid 10.55 839.7 898.696 Hex-Cer(26:0) M+Acid 10.81 839.7 898.733 Hex-Cer(26:0)-OH M+Acid 10.78 855.7 914.728 Hex-Cer(26:1) M+Acid 10.67 837.7 896.717 Hex-Cer(26:1)-OH M+Acid 10.62 853.7 912.712 Hex-Cer(26:2) M+Acid 10.55 835.7 894.703 LPA(a-16:0) M-H 7.25 410.2 409.236 LPA(a-16:1) M-H 6.88 408.2 407.219 LPE(a-14:0) M-H 7.18 425.3 424.247 LPE(a-16:0)-1 M-H 7.64 453.3 452.278 LPE(a-16:0) M-H 7.75 453.3 452.278 LPE(a-16:1)-1 M-H 7.36 451.3 450.262 LPE(a-16:1) M-H 7.23 451.3 450.261 LPE(a-17:0)-1 M-H 7.90 467.3 466.294 LPE(a-17:0) M-H 8.01 467.3 466.293 LPE(a-17:1) M-H 7.63 465.3 464.279 LPE(a-18:0)-1 M-H 8.14 481.3 480.309 LPE(a-18:0) M-H 8.25 481.3 480.309 LPE(a-18:1)-1 M-H 7.78 479.3 478.293 LPE(a-18:1) M-H 7.88 479.3 478.293 LPE(a-18:2)-1 M-H 7.46 477.3 476.278 LPE(a-18:2) M-H 7.57 477.3 476.278 LPE(a-19:0) M-H 8.36 495.3 494.325 LPE(a-20:1)-1 M-H 8.24 507.3 506.324 LPE(a-20:1) M-H 8.34 507.3 506.325 LPE(a-20:3) M-H 7.79 503.3 502.293 LPE(a-20:4)-1 M-H 7.48 501.3 500.277 LPE(a-20:4) M-H 7.58 501.3 500.277 LPE(a-20:5)-1 M-H 7.18 499.3 498.261 LPE(a-20:5) M-H 7.28 499.3 498.261 LPE(a-22:1) M-H 8.73 535.4 534.358 LPE(a-22:4)-1 M-H 7.90 529.3 528.308 LPE(a-22:4) M-H 7.99 529.3 528.308 LPE(a-22:5)-1 M-H 7.73 527.3 526.293 LPE(a-22:5) M-H 7.84 527.3 526.293 LPE(a-22:6)-1 M-H 7.49 525.3 524.277 LPE(a-22:6) M-H 7.58 525.3 524.278 LPE(e-16:1) M-H 7.99 437.3 436.283 LPE(e-17:1) M-H 8.21 451.3 450.299 LPE(e-18:1) M-H 8.45 465.3 464.314 LPE(e-18:2) M-H 8.09 463.3 462.298 LPE(e-18:3) M-H 7.80 461.3 460.282 LPE(e-20:1) M-H 8.86 493.4 492.345 LPG(a-16:0)-1 M-H 7.08 484.3 483.272 LPG(a-16:0) M-H 7.19 484.3 483.272 LPG(a-16:1)-1 M-H 6.71 482.3 481.256 LPG(a-16:1) M-H 6.81 482.3 481.256 LPG(a-18:1)-1 M-H 7.22 510.3 509.288 LPG(a-18:1) M-H 7.32 510.3 509.288 LPG(a-18:2)-1 M-H 6.92 508.3 507.271 LPG(a-18:2) M-H 7.01 508.3 507.270 LPG(a-22:5) M-H 7.18 558.3 557.286 LPG(a-22:6)-1 M-H 6.94 556.3 555.272 LPG(a-22:6) M-H 7.02 556.3 555.272 LPI(a-16:0)-1 M-H 7.10 572.3 571.288 LPI(a-16:0) M-H 6.98 572.3 571.288 LPI(a-18:0)-1 M-H 7.48 600.3 599.319 LPI(a-18:0) M-H 7.59 600.3 599.319 LPI(a-18:1)-1 M-H 7.13 598.3 597.303 LPI(a-18:1) M-H 7.23 598.3 597.303 LPI(a-20:3)-1 M-H 7.04 622.3 621.302 LPI(a-20:3) M-H 7.13 622.3 621.302 LPI(a-20:4)-1 M-H 6.85 620.3 619.287 LPI(a-20:4) M-H 6.94 620.3 619.287 LPI(a-22:6)-1 M-H 6.86 644.3 643.287 LPI(a-22:6) M-H 6.95 644.3 643.287 LPS(a-16:0) M-H 7.11 497.3 496.267 LPS(a-18:0) M-H 7.60 525.3 524.297 LPS(a-18:1)-1 M-H 7.14 523.3 522.283 LPS(a-18:1) M-H 7.24 523.3 522.283 LPS(a-19:0) M-H 7.82 539.3 538.314 LPS(a-20:1) M-H 7.66 551.3 550.314 LPS(a-20:2) M-H 7.41 549.3 548.299 LPS(a-20:4) M-H 6.94 545.3 544.267 LPS(a-21:0) M-H 8.04 567.4 566.345 LPS(a-21:1) M-H 7.79 565.3 564.329 LPS(a-22:0) M-H 8.20 581.4 580.362 LPS(a-22:1) M-H 7.93 579.4 578.345 LPS(a-22:4) M-H 7.34 573.3 572.298 LPS(a-22:5) M-H 7.10 571.3 570.284 LPS(a-22:6)-1 M-H 6.86 569.3 568.267 LPS(a-22:6) M-H 6.95 569.3 568.267 LPS(a-23:0) M-H 8.48 595.4 594.376 LPS(a-23:1) M-H 8.25 593.4 592.361 LPS(a-23:2) M-H 8.02 591.4 590.345 LPS(a-24:0) M-H 8.63 609.4 608.392 LPS(a-24:1) M-H 8.26 607.4 606.376 LPS(a-24:2) M-H 7.74 605.4 604.361 LPS(a-24:3) M-H 7.53 603.4 602.345 LPS(a-26:0) M-H 8.69 637.4 636.423 LPS(a-26:1) M-H 8.56 635.4 634.408 LPS(a-26:2) M-H 8.24 633.4 632.392 MLCL(aaa-52:5) M-H 9.45 1160.7 1159.717 MLCL(aaa-54:5) M-H 9.63 1188.8 1187.747 MLCL(aaa-54:6) M-H 9.51 1186.7 1185.732 MLCL(aaa-58:10) M-H 9.51 1234.7 1233.732 MLCL(aaa-58:9) M-H 9.59 1236.8 1235.747 PA(aa-30:0) M-H 9.16 620.4 619.433 PA(aa-30:1) M-H 8.95 618.4 617.416 PA(aa-32:0) M-H 9.33 648.5 647.464 PA(aa-32:1) M-H 9.09 646.5 645.448 PA(aa-32:2) M-H 9.01 644.4 643.431 PA(aa-34:0) M-H 9.56 676.5 675.495 PA(aa-34:1) M-H 9.25 674.5 673.479 PA(aa-34:2) M-H 9.17 672.5 671.464 PA(aa-36:1) M-H 9.56 702.5 701.511 PA(aa-36:4) M-H 9.15 696.5 695.464 PA(aa-36:5) M-H 9.06 694.5 693.449 PA(aa-38:2) M-H 9.69 728.5 727.526 PA(aa-38:4) M-H 9.52 724.5 723.495 PA(aa-40:4) M-H 9.70 752.5 751.527 PA(aa-40:7) M-H 9.33 746.5 745.481 PA(aa-40:8) M-H 9.20 744.5 743.467 PE(aa-30:0) M-H 9.82 663.5 662.475 PE(aa-30:1) M-H 9.63 661.5 660.461 PE(aa-32:0) M-H 10.07 691.5 690.506 PE(aa-32:1) M-H 9.88 689.5 688.491 PE(aa-32:2) M-H 9.71 687.5 686.475 PE(aa-33:1) M-H 10.01 703.5 702.506 PE(aa-33:2) M-H 9.84 701.5 700.491 PE(aa-34:0) M-H 10.30 719.5 718.537 PE(aa-34:1) M-H 10.11 717.5 716.522 PE(aa-34:2) M-H 9.94 715.5 714.507 PE(aa-34:3) M-H 9.79 713.5 712.491 PE(aa-34:4) M-H 9.64 711.5 710.476 PE(aa-35:1) M-H 10.27 731.5 730.539 PE(aa-35:2) M-H 10.07 729.5 728.521 PE(aa-36:0) M-H 10.50 747.6 746.569 PE(aa-36:1) M-H 10.34 745.6 744.553 PE(aa-36:2) M-H 10.19 743.5 742.538 PE(aa-36:3) M-H 10.03 741.5 740.522 PE(aa-36:4) M-H 9.93 739.5 738.506 PE(aa-36:5) M-H 9.80 737.5 736.491 PE(aa-36:6) M-H 9.68 735.5 734.475 PE(aa-37:1) M-H 10.43 759.6 758.568 PE(aa-37:2) M-H 10.30 757.6 756.553 PE(aa-37:4) M-H 10.08 753.5 752.521 PE(aa-37:5) M-H 9.91 751.5 750.506 PE(aa-37:6) M-H 9.82 749.5 748.491 PE(aa-38:1) M-H 10.52 773.6 772.585 PE(aa-38:2) M-H 10.38 771.6 770.569 PE(aa-38:3) M-H 10.29 769.6 768.553 PE(aa-38:4) M-H 10.19 767.5 766.537 PE(aa-38:5) M-H 10.04 765.5 764.521 PE(aa-38:6) M-H 9.92 763.5 762.507 PE(aa-38:7) M-H 9.76 761.5 760.491 PE(aa-38:8) M-H 9.57 759.5 758.475 PE(aa-39:4) M-H 10.29 781.6 780.552 PE(aa-39:5) M-H 10.15 779.5 778.535 PE(aa-39:6) M-H 10.05 777.5 776.521 PE(aa-39:7) M-H 9.87 775.5 774.505 PE(aa-39:8) M-H 9.73 773.5 772.490 PE(aa-40:1) M-H 10.70 801.6 800.616 PE(aa-40:2) M-H 10.55 799.6 798.600 PE(aa-40:3) M-H 10.49 797.6 796.584 PE(aa-40:4) M-H 10.37 795.6 794.568 PE(aa-40:5) M-H 10.31 793.6 792.552 PE(aa-40:6) M-H 10.17 791.5 790.537 PE(aa-40:7) M-H 10.01 789.5 788.520 PE(aa-40:8) M-H 9.83 787.5 786.506 PE(aa-40:9) M-H 9.70 785.5 784.491 PE(aa-42:1) M-H 10.85 829.7 828.646 PE(aa-42:10) M-H 9.83 811.5 810.505 PE(aa-42:11) M-H 9.69 809.5 808.491 PE(aa-42:2) M-H 10.72 827.6 826.631 PE(aa-42:3) M-H 10.63 825.6 824.617 PE(aa-42:4) M-H 10.53 823.6 822.600 PE(aa-42:5) M-H 10.41 821.6 820.584 PE(aa-42:6) M-H 10.37 819.6 818.567 PE(aa-42:8) M-H 10.05 815.5 814.536 PE(aa-42:9) M-H 9.92 813.5 812.521 PE(aa-44:10) M-H 10.02 839.5 838.537 PE(aa-44:11) M-H 9.87 837.5 836.520 PE(aa-44:12) M-H 9.82 835.5 834.506 PE(aa-44:4) M-H 10.74 851.6 850.632 PE(aa-44:5) M-H 10.58 849.6 848.618 PE(aa-44:7) M-H 10.40 845.6 844.584 PE(aa-44:9) M-H 10.15 841.6 840.552 PE(ae-32:1) M-H 10.21 675.5 674.511 PE(ae-34:1) M-H 10.42 703.5 702.543 PE(ae-34:2) M-H 10.25 701.5 700.525 PE(ae-34:3) M-H 10.08 699.5 698.511 PE(ae-35:2) M-H 10.35 715.5 714.542 PE(ae-35:3) M-H 10.19 713.5 712.526 PE(ae-36:1) M-H 10.62 731.6 730.575 PE(ae-36:2) M-H 10.44 729.6 728.558 PE(ae-36:3) M-H 10.28 727.5 726.543 PE(ae-36:4) M-H 10.16 725.5 724.526 PE(ae-36:5) M-H 10.09 723.5 722.511 PE(ae-36:6) M-H 9.95 721.5 720.496 PE(ae-36:7) M-H 9.82 719.5 718.480 PE(ae-37:2) M-H 10.54 743.6 742.574 PE(ae-37:3) M-H 10.38 741.6 740.558 PE(ae-37:5) M-H 10.22 737.5 736.527 PE(ae-37:7) M-H 9.93 733.5 732.496 PE(ae-38:2) M-H 10.62 757.6 756.590 PE(ae-38:3) M-H 10.47 755.6 754.574 PE(ae-38:4) M-H 10.38 753.6 752.557 PE(ae-38:5) M-H 10.32 751.6 750.543 PE(ae-38:6) M-H 10.15 749.5 748.527 PE(ae-38:7) M-H 10.06 747.5 746.512 PE(ae-38:8) M-H 9.91 745.5 744.497 PE(ae-39:3) M-H 10.56 769.6 768.589 PE(ae-39:5) M-H 10.39 765.6 764.557 PE(ae-39:6) M-H 10.25 763.6 762.544 PE(ae-39:7) M-H 10.16 761.5 760.528 PE(ae-40:2) M-H 10.78 785.6 784.620 PE(ae-40:3) M-H 10.64 783.6 782.604 PE(ae-40:4) M-H 10.52 781.6 780.588 PE(ae-40:5) M-H 10.46 779.6 778.574 PE(ae-40:6) M-H 10.36 777.6 776.557 PE(ae-40:7) M-H 10.29 775.6 774.543 PE(ae-40:8) M-H 10.10 773.5 772.526 PE(ae-40:9) M-H 9.95 771.5 770.511 PE(ae-42:7) M-H 10.47 803.6 802.574 PE(ae-42:8) M-H 10.32 801.6 800.557 PE(ae-42:9) M-H 10.20 799.5 798.542 PG(aa-30:0) M-H 9.11 694.5 693.470 PG(aa-30:1)-1 M-H 8.90 692.5 691.455 PG(aa-30:1) M-H 9.02 692.5 691.454 PG(aa-31:0) M-H 9.20 708.5 707.486 PG(aa-31:1) M-H 9.04 706.5 705.470 PG(aa-32:0) M-H 9.30 722.5 721.501 PG(aa-32:1) M-H 9.16 720.5 719.484 PG(aa-32:2) M-H 9.01 718.5 717.469 PG(aa-33:0) M-H 9.41 736.5 735.516 PG(aa-33:1) M-H 9.25 734.5 733.501 PG(aa-33:2) M-H 9.14 732.5 731.484 PG(aa-34:0) M-H 9.53 750.5 749.532 PG(aa-34:1)-1 M-H 9.19 748.5 747.516 PG(aa-34:1) M-H 9.33 748.5 747.516 PG(aa-34:2)-1 M-H 9.13 746.5 745.500 PG(aa-34:2) M-H 9.22 746.5 745.500 PG(aa-34:3)-1 M-H 8.90 744.5 743.485 PG(aa-34:3) M-H 9.02 744.5 743.485 PG(aa-35:1) M-H 9.44 762.5 761.531 PG(aa-35:2) M-H 9.34 760.5 759.515 PG(aa-36:1) M-H 9.55 776.6 775.548 PG(aa-36:2)-1 M-H 9.30 774.5 773.532 PG(aa-36:2) M-H 9.47 774.5 773.531 PG(aa-36:3)-1 M-H 9.05 772.5 771.516 PG(aa-36:3) M-H 9.16 772.5 771.516 PG(aa-36:4)-1 M-H 9.02 770.5 769.501 PG(aa-36:4) M-H 9.11 770.5 769.501 PG(aa-36:5)-1 M-H 8.89 768.5 767.486 PG(aa-36:5) M-H 9.01 768.5 767.486 PG(aa-38:2) M-H 9.52 802.6 801.563 PG(aa-38:4) M-H 9.43 798.5 797.532 PG(aa-38:5)-1 M-H 9.28 796.5 795.519 PG(aa-38:5) M-H 9.14 796.5 795.516 PG(aa-38:6)-1 M-H 9.00 794.5 793.501 PG(aa-38:6) M-H 9.09 794.5 793.501 PG(aa-38:7)-1 M-H 8.88 792.5 791.485 PG(aa-38:7) M-H 9.00 792.5 791.485 PG(aa-40:5) M-H 9.20 824.6 823.547 PG(aa-40:6) M-H 9.14 822.5 821.530 PG(aa-40:7) M-H 9.07 820.5 819.516 PG(aa-40:8) M-H 8.98 818.5 817.500 PG(aa-40:9) M-H 8.87 816.5 815.485 PG(aa-42:10) M-H 8.98 842.5 841.501 PG(aa-42:11) M-H 8.87 840.5 839.485 PG(aa-42:8) M-H 9.10 846.5 845.530 PG(aa-42:9) M-H 9.02 844.5 843.515 PG(aa-44:11) M-H 9.05 868.5 867.515 PG(aa-44:12) M-H 8.97 866.5 865.500 Phytocer(18:0) M+Acid 10.11 583.6 642.566 Phytocer(22:0) M+Acid 10.53 639.6 698.629 Phytocer(22:1) M+Acid 10.56 637.6 696.612 Phytocer(23:0) M+Acid 10.60 653.6 712.644 Phytocer(24:0) M+Acid 10.69 667.6 726.659 Phytocer(24:1) M+Acid 10.53 665.6 724.643 Phytocer(24:2) M+Acid 10.57 663.6 722.628 Phytocer(25:1) M+Acid 10.77 679.6 738.658 Phytocer(25:2) M+Acid 10.63 677.6 736.643 Phytocer(26:1) M+Acid 10.70 693.7 752.675 Phytocer(26:2) M+Acid 10.71 691.6 750.659 PI(aa-32:2) M-H 8.89 806.5 805.485 PI(aa-34:2) M-H 9.09 834.5 833.515 PI(aa-34:3) M-H 9.03 832.5 831.500 PI(aa-34:4) M-H 8.92 830.5 829.486 PI(aa-36:1) M-H 9.54 864.6 863.563 PI(aa-36:2)-1 M-H 9.33 862.6 861.548 PI(aa-36:2) M-H 9.42 862.6 861.548 PI(aa-36:3) M-H 9.15 860.5 859.531 PI(aa-36:4) M-H 9.09 858.5 857.516 PI(aa-36:5) M-H 9.02 856.5 855.501 PI(aa-38:1)-1 M-H 9.84 892.6 891.594 PI(aa-38:1) M-H 9.76 892.6 891.593 PI(aa-38:2) M-H 9.67 890.6 889.578 PI(aa-38:3) M-H 9.54 888.6 887.564 PI(aa-38:4)-1 M-H 9.24 886.6 885.547 PI(aa-38:4) M-H 9.40 886.6 885.548 PI(aa-38:5)-1 M-H 9.13 884.5 883.531 PI(aa-38:5) M-H 9.26 884.5 883.531 PI(aa-38:6)-1 M-H 9.06 882.5 881.515 PI(aa-38:6) M-H 8.93 882.5 881.518 PI(aa-40:3) M-H 9.74 916.6 915.595 PI(aa-40:4) M-H 9.65 914.6 913.578 PI(aa-40:5) M-H 9.50 912.6 911.562 PI(aa-40:6) M-H 9.36 910.6 909.546 PI(aa-40:7) M-H 9.23 908.5 907.531 PI(aa-40:8) M-H 9.02 906.5 905.515 PS(aa-32:0) M-H 9.33 735.5 734.497 PS(aa-32:1) M-H 9.16 733.5 732.480 PS(aa-32:2) M-H 9.02 731.5 730.464 PS(aa-34:0) M-H 9.56 763.5 762.528 PS(aa-34:1) M-H 9.30 761.5 760.510 PS(aa-34:2)-1 M-H 9.07 759.5 758.497 PS(aa-34:2) M-H 9.23 759.5 758.496 PS(aa-34:3) M-H 9.03 757.5 756.481 PS(aa-34:4) M-H 8.99 755.5 754.466 PS(aa-36:0) M-H 9.84 791.6 790.557 PS(aa-36:1) M-H 9.54 789.5 788.543 PS(aa-36:2) M-H 9.41 787.5 786.527 PS(aa-36:3) M-H 9.30 785.5 784.511 PS(aa-36:4)-1 M-H 9.10 783.5 782.495 PS(aa-36:4) M-H 9.24 783.5 782.496 PS(aa-36:5)-1 M-H 9.13 781.5 780.480 PS(aa-36:5) M-H 9.02 781.5 780.480 PS(aa-36:6) M-H 8.92 779.5 778.466 PS(aa-38:0) M-H 10.08 819.6 818.589 PS(aa-38:1) M-H 9.87 817.6 816.573 PS(aa-38:2)-1 M-H 9.56 815.6 814.558 PS(aa-38:2) M-H 9.73 815.6 814.557 PS(aa-38:3)-1 M-H 9.53 813.5 812.543 PS(aa-38:3)-2 M-H 9.67 813.6 812.543 PS(aa-38:3)-3 M-H 9.44 813.5 812.541 PS(aa-38:4)-1 M-H 9.29 811.5 810.527 PS(aa-38:4)-2 M-H 9.44 811.5 810.527 PS(aa-38:4)-3 M-H 9.55 811.5 810.525 PS(aa-38:5)-1 M-H 9.17 809.5 808.510 PS(aa-38:5) M-H 9.37 809.5 808.511 PS(aa-38:6)-1 M-H 9.09 807.5 806.496 PS(aa-38:6) M-H 9.20 807.5 806.496 PS(aa-38:7) M-H 8.95 805.5 804.480 PS(aa-40:0) M-H 10.30 847.6 846.620 PS(aa-40:1) M-H 10.15 845.6 844.605 PS(aa-40:2) M-H 10.00 843.6 842.589 PS(aa-40:3)-1 M-H 9.79 841.6 840.573 PS(aa-40:3) M-H 9.92 841.6 840.573 PS(aa-40:4)-1 M-H 9.56 839.6 838.558 PS(aa-40:4) M-H 9.77 839.6 838.558 PS(aa-40:5)-1 M-H 9.53 837.5 836.542 PS(aa-40:5) M-H 9.65 837.6 836.543 PS(aa-40:6)-1 M-H 9.39 835.5 834.527 PS(aa-40:6) M-H 9.55 835.5 834.527 PS(aa-40:7)-1 M-H 9.12 833.5 832.510 PS(aa-40:7) M-H 9.29 833.5 832.511 PS(aa-40:8)-1 M-H 9.16 831.5 830.496 PS(aa-40:8) M-H 9.03 831.5 830.496 PS(aa-40:9) M-H 9.09 829.5 828.479 PS(aa-42:0) M-H 10.49 875.7 874.651 PS(aa-42:1)-1 M-H 10.36 873.6 872.636 PS(aa-42:1) M-H 10.16 873.6 872.636 PS(aa-42:10) M-H 9.02 855.5 854.496 PS(aa-42:11)-1 M-H 8.92 853.5 852.480 PS(aa-42:11) M-H 9.12 853.5 852.478 PS(aa-42:2)-1 M-H 10.01 871.6 870.619 PS(aa-42:2) M-H 10.25 871.6 870.620 PS(aa-42:3) M-H 10.15 869.6 868.606 PS(aa-42:4) M-H 10.00 867.6 866.588 PS(aa-42:5) M-H 9.87 865.6 864.573 PS(aa-42:6)-1 M-H 9.70 863.6 862.558 PS(aa-42:6) M-H 9.56 863.6 862.558 PS(aa-42:7) M-H 9.57 861.6 860.545 PS(aa-42:9) M-H 9.33 857.5 856.510 PS(aa-44:0) M-H 10.68 903.7 902.683 PS(aa-44:1) M-H 10.53 901.7 900.667 PS(aa-44:10) M-H 9.27 883.5 882.525 PS(aa-44:11) M-H 9.15 881.5 880.511 PS(aa-44:3) M-H 10.34 897.6 896.636 PS(aa-44:4) M-H 10.23 895.6 894.621 PS(aa-44:5)-1 M-H 10.04 893.6 892.604 PS(aa-44:5) M-H 10.14 893.6 892.604 PS(aa-44:6)-1 M-H 9.88 891.6 890.589 PS(aa-44:6) M-H 9.97 891.6 890.589 PS(aa-44:7) M-H 9.79 889.6 888.574 PS(aa-44:8) M-H 9.61 887.6 886.557 Sphingosine-1-phosphate M-H 7.28 379.2 378.241 Sulfatide(Hex/14:0) M-H 8.78 751.5 750.481 Sulfatide(Hex/16:0) M-H 9.01 779.5 778.512 Sulfatide(Hex/18:1) M-H 9.05 805.5 804.528 Sulfatide(Hex/20:0) M-H 9.49 835.6 834.574 Sulfatide(Hex/20:1) M-H 9.29 833.6 832.559 Sulfatide(Hex/20:2) M-H 9.08 831.6 830.550 Sulfatide(Hex/21:1) M-H 9.40 847.6 846.574 Sulfatide(Hex/22:0) M-H 9.73 863.6 862.607 Sulfatide(Hex/22:1) M-H 9.51 861.6 860.590 Sulfatide(Hex/23:2) M-H 9.42 873.6 872.590 Sulfatide(Hex/24:0) M-H 9.97 891.6 890.638 Sulfatide(Hex/24:1) M-H 9.74 889.6 888.621 Sulfatide(Hex/24:2) M-H 9.55 887.6 886.605 Sulfatide(Hex/24:3) M-H 9.44 885.6 884.590 Taurohyocholate M-H 4.46 515.3 514.283 METABOLITES_END #END