#METABOLOMICS WORKBENCH ayumiando_20181001_003636_mwtab.txt DATATRACK_ID:1521 STUDY_ID:ST001066 ANALYSIS_ID:AN001745 PROJECT_ID:PR000713 VERSION 1 CREATED_ON October 3, 2018, 9:22 am #PROJECT PR:PROJECT_TITLE Lipidomics analysis for aged mice liver 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 liver (part-III) 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 Liver 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 Liver_51_young Liver_53_young Liver_55_young Liver_57_young Liver_59_young Liver_52_aged Liver_54_aged Liver_56_aged Liver_58_aged Liver_60_aged Factors Age:Young 8 weeks | Tissue:Liver Age:Young 8 weeks | Tissue:Liver Age:Young 8 weeks | Tissue:Liver Age:Young 8 weeks | Tissue:Liver Age:Young 8 weeks | Tissue:Liver Age:Aged 112 weeks | Tissue:Liver Age:Aged 112 weeks | Tissue:Liver Age:Aged 112 weeks | Tissue:Liver Age:Aged 112 weeks | Tissue:Liver Age:Aged 112 weeks | Tissue:Liver Cer(14:0) 2248600 1561008 1783370 1568752 1625767 980788 1330511 1118966 1228319 1019663 Cer(15:0) 2671952 2430805 2393101 1970426 2432462 1389216 1946974 2631102 2074850 1444831 Cer(16:0) 35437856 33757040 33517560 33626848 33775144 18791822 28603436 43197908 26526348 21230668 Cer(16:1) 6245833 5067629 4829495 4290595 4685398 2712217 3979610 3309940 3138454 2736925 Cer(18:0) 16776464 17863614 18796808 14054555 15202228 5420457 20654352 16951106 11436410 11542076 Cer(19:0) 6257598 5522056 7294683 4982211 6410902 2715249 6436619 3980209 4605647 4641193 Cer(20:0) 82766120 80865568 109218256 92569688 92256560 49880344 100691240 64077616 62404028 63818072 Cer(20:1) 5673824 5535821 6998087 6532080 6313244 3304824 7521219 4061802 4327784 5373712 Cer(21:0) 118560888 124347328 129132264 116365872 124401328 57990148 84576560 56007004 71332544 70231968 Cer(21:1) 2969270 2870634 3870171 3621300 4379713 2255314 4602044 1930629 2878825 3176887 Cer(22:0) 1283814910 1255904130 1318146690 1323570820 1188715520 746716990 897949500 681079170 785840130 780899070 Cer(22:1) 257024800 254826240 299615744 283074560 280072256 155274112 218416656 160177232 196291872 190737216 Cer(22:2) 2141963 1797378 2206142 2085416 2453516 2583654 3620352 2974460 2700591 2873725 Cer(23:0) 824032190 766354750 751989700 723846590 823556670 835697660 881087680 784104640 788452990 834520130 Cer(23:1) 376116672 361748928 371145120 348010176 407274688 282137504 306764256 303388256 326847264 326705088 Cer(23:2) 7425205 6401488 7768037 7047193 8315980 5119723 6060555 7596781 6683229 6543313 Cer(24:0) 1663860990 1534427010 1600557060 1617623680 1562640380 1976688900 1992810240 1913263870 2129565700 2030472320 Cer(24:1) 3093447420 2687299330 3068410620 3022565630 3007361540 2802968060 2979686660 3186486270 2936299520 2842446590 Cer(24:2) 512708352 447346368 513457472 489571712 531402816 362413472 462539776 553173120 466792480 410560864 Cer(24:3) 10624572 9507607 12167336 12495102 11990779 7281910 10690986 13968579 11652763 9386045 Cer(25:0) 133318272 129425336 134575728 129914032 133831128 214426432 222581376 150557360 179928160 214073984 Cer(25:1) 64330800 54997608 62631632 59195760 67155880 66797104 72513320 73624880 62134736 65427788 Cer(25:2) 6261047 4865923 5395323 4480756 6584354 4954478 4944506 5885630 5408665 5123168 Cer(26:0) 11736174 10799368 13980563 10793731 12433932 20935446 24704074 14341739 15244020 19929226 Cer(26:1) 19917602 14699172 19547378 15299246 19382236 32799902 33983540 30473606 31430792 29615070 Cer(26:2) 5342006 4044066 4024387 3839646 4836436 8087052 7614952 6747559 6724869 6426700 Cer(26:7) 1262819 1012832 1324580 1140169 1305550 1300398 2305525 3138801 1702342 1891237 Cer-1P(24:1) 4569456 4124160 3888939 4648851 4501575 4912751 4128971 5006940 4575750 4358755 Cholesterol (-H2) sulfate 1628379 1600348 1785059 1844464 1746636 988109 1588462 1358174 1007552 1316715 Cholesterol sulfate 178407296 143140304 150972528 144958400 157794736 163958880 151424032 140330608 152181040 177765632 CL(aaaa-66:3) 5452662 4746082 6718908 9113385 5739940 24585682 10683679 7106005 20190892 28757398 CL(aaaa-66:4)-1 3780323 2906684 4631698 6548591 3515183 15071955 2467199 1028364 13104719 15003856 CL(aaaa-66:4)-2 8154774 9957652 11234651 14161160 7427006 31463970 23350566 10314764 30106872 39242280 CL(aaaa-68:2) 50600168 61445368 82302608 82886968 69052488 217658752 98903936 47855248 94496640 192760224 CL(aaaa-68:3) 49676652 57895532 75282160 84091344 67364416 221480320 85094296 47251508 112668720 206615552 CL(aaaa-68:4) 60122252 60407664 79276424 91930120 68770176 240079104 117330176 67927392 167106352 252682048 CL(aaaa-68:5) 171829632 180158736 182024832 213614576 162845440 362601376 289761728 159414560 373660224 470639488 CL(aaaa-68:6) 199833024 193872592 194753392 253378208 229924512 385651424 184625888 100207096 385078432 434627040 CL(aaaa-69:5) 23674750 20483194 19499396 22968616 21075246 49503684 29919300 20055382 42435004 42249576 CL(aaaa-69:6) 26126128 24966470 26654668 27299816 24067716 36396248 27842884 21083064 39119952 42299592 CL(aaaa-70:3) 12175321 13268249 15549465 15246409 14518002 32954692 17306360 11085659 16561248 27987846 CL(aaaa-70:4) 105876840 103645640 121187928 132892808 105365936 351899552 175829616 113476840 187056768 262097408 CL(aaaa-70:5) 303561632 286413984 341206944 405214784 314805376 906181570 536387456 313619296 608658370 832682690 CL(aaaa-70:6) 456730976 508695680 484589920 544587970 471316800 719154500 747679360 471081024 741920380 911231040 CL(aaaa-70:7) 2658600700 2278425090 2417770750 2778644740 2562330880 2992786430 1790039300 1313652480 3004256770 3153682180 CL(aaaa-70:8) 27500768 29472226 28251816 28895974 33886892 44934532 14882529 13493811 46287440 41168024 CL(aaaa-71:5) 4524793 4119630 5225898 4892010 4212609 22096366 11222560 3972999 9781977 16164739 CL(aaaa-71:6) 42666352 36513500 41971612 43515072 40198904 90261656 59424060 34622896 63411240 76812688 CL(aaaa-71:7) 120913096 107131616 107119040 109656688 108535744 122752184 93345448 72586032 119775360 125884400 CL(aaaa-71:8) 19581432 16369172 9592070 16076468 20236812 14938936 7808389 7713614 14860306 12231234 CL(aaaa-72:5) 36289540 35633216 40261264 43640348 39369496 100613224 74465000 45535756 56850436 73965816 CL(aaaa-72:6) 579644800 571510910 658568700 729735810 592900420 1427451390 1028338820 597845570 850335550 1144975740 CL(aaaa-72:7) 9254341600 7546879500 8248757200 8938487800 8191420400 10381609000 7729352200 6701708300 9087449100 9213947900 CL(aaaa-72:8) 18785792000 15010386900 15126310900 15312871400 15391309800 14777478100 8092432400 9068145700 13260176400 11519926300 CL(aaaa-72:9) 285142464 241319840 245762944 241089184 301906880 268206688 114545776 142657120 297966368 234049440 CL(aaaa-73:6) 2186442 1760394 1627261 2102827 2309094 2499392 2486485 2537548 2119636 2735831 CL(aaaa-73:7) 29262480 19823856 24963932 29093064 24543788 31522628 18760880 15280050 24554600 25301658 CL(aaaa-73:8) 16821884 12412828 13542096 12739466 14668640 12961772 11801419 8680873 13419702 15723950 CL(aaaa-74:10) 577811710 545965380 550697150 573833470 562830270 635097660 483707008 475493696 637030660 654374530 CL(aaaa-74:8) 1161464960 836746750 938800640 1054220670 992596930 1037853440 750547070 615953280 822054460 855412290 CL(aaaa-76:10) 31089024 32044356 33300060 34134256 34120200 44129768 37900880 30572298 31460364 37730688 CL(aaaa-76:11) 450340704 364709664 388586368 422565888 407255200 574899070 458736832 422443680 544902780 563917180 CL(aaaa-76:12) 696571140 552664450 599418620 613698500 625857920 756361020 465645376 465860800 733238270 714974590 deoxy-Cer(22:0) 1709677 947915 1068087 1103482 1647082 1503363 1104194 1398892 1508309 1566271 deoxy-Cer(24:0) 9168651 7639895 6981266 5988088 7380304 7896311 6281485 10123948 4459378 5409926 deoxy-Cer(24:1) 2035858 768467 1203556 1119209 1445802 3400873 1540701 3632366 2012936 1243990 deoxy-DHC(20:0) 4679787 3556835 3302533 3128101 4182818 2985250 3446973 3945487 3216976 2522661 deoxy-DHC(21:0) 321903 196749 248730 321081 629432 313985 347962 40876 291507 427408 deoxy-DHC(22:0) 4939725 4687364 4440569 3821976 4445870 3126831 2891916 4165993 2224507 2933591 deoxy-DHC(23:0) 2881396 2532828 2139607 2166742 2868287 3210366 2685805 2597852 2302001 3416006 deoxy-DHC(24:0) 5160225 4543611 4709148 4033471 4651919 3813062 3476594 4348622 2774088 3138220 DHC(16:0) 2277282 1976885 1828805 1751468 2140427 1010420 1758041 2705181 1918284 1465227 DHC(18:0) 2113557 3996521 3673177 1943812 3326737 409687 2466502 4842120 2258454 783486 DHC(19:0) 193223 442755 373271 263849 311137 0 82920 329671 351294 265426 DHC(20:0) 15864999 24262630 22366012 10688987 20028928 4811683 9548068 30171912 13769280 7002687 DHC(22:0) 21351478 20530072 25384418 19990084 19424722 20770062 21593768 23066412 23697894 21608368 DHC(24:0) 984198 1030040 730550 801857 762974 635278 630681 574470 694263 1033523 FFA(C14:0) 16959046 7150599 6983937 5404101 5847303 5375757 7152221 6852497 6357784 6271338 FFA(C14:1) 5397038 2613860 2233855 1729657 1545490 2266012 3580731 2361827 2518175 2847305 FFA(C14:2) 2896080 1243755 975220 897630 796524 804874 1159712 997491 1029431 1083631 FFA(C16:0) 269171360 94567296 102168064 73082976 81000568 104150560 124211192 144257712 112258416 118572944 FFA(C16:1) 57042796 15486812 18034750 12839194 11917573 15331164 27040620 17925352 18183604 22435110 FFA(C16:2) 15554578 2735228 2835342 1478463 1547136 1129643 2620590 1131212 1653133 1460284 FFA(C17:0) 9779051 3825906 3433003 2767516 3163120 3513347 4011540 5058592 3578958 3569770 FFA(C17:1) 6194381 1459003 1499705 1028257 1075306 1510294 2860608 1752366 1701736 2039409 FFA(C18:0) 104743216 77852816 61207984 56879460 59329984 59548168 69882240 85752024 60350652 59462916 FFA(C18:1) 283086784 79798992 78008528 57304452 57814092 67757640 132511376 90391776 73295056 93088096 FFA(C18:1-OH) 2176672 1176609 801978 625919 581504 812964 1022567 704142 1337953 862021 FFA(C18:2) 333065344 112308760 115841928 85924888 78066504 69696456 124001000 85101368 88265560 89046832 FFA(C18:3) 46205796 13039110 13046478 9604368 8053873 5196815 10801920 5300145 7545650 7838052 FFA(C20:0) 2348754 2036335 769043 456886 1099782 378900 1044935 800175 559226 448850 FFA(C20:1) 30898790 9948414 7411538 4844662 6078544 4004753 10478594 9374302 6466305 6019157 FFA(C20:2) 12212956 2698637 2638002 1684997 1828882 1652102 4056530 4238904 2124316 2101660 FFA(C20:3) 18563872 5090910 4876775 3490693 3363844 3056848 8410660 5804302 3206379 4149313 FFA(C20:4) 87222144 36191520 35627740 24203642 22339982 20901834 38475740 41876988 25092366 27192954 FFA(C20:5) 88844672 25260496 27827608 21293968 18907132 16012750 27612866 24454764 21896574 21580930 FFA(C22:0) 5095718 3260726 2806036 2198359 2611713 600643 1245886 3198341 1484673 577111 FFA(C22:1) 1034869 377523 0 0 260650 153113 394683 299645 0 154348 FFA(C22:3) 544181 85792 94356 85259 95610 76906 371324 224451 104275 113827 FFA(C22:4) 5586542 899171 1411277 1056912 834491 915825 2521934 2864115 1104576 1220542 FFA(C22:5) 51203452 12269820 15345334 11985573 9676875 7378522 19855852 20953778 12313284 12412217 FFA(C22:6) 174578736 81428232 71466000 58215552 54461952 39228736 69639264 71709328 55471712 51040428 FFA(C22:6-OH) 348121 99347 76843 66755 132401 22752 60660 124850 128090 49902 FFA(C24:0) 1088870 675391 347559 180475 511627 0 642175 520611 272530 222934 FFA(C24:1) 24476460 17182896 10638616 7594684 12020891 3699487 6968020 23334146 11008428 4590338 FFA(C24:4) 252157 28445 61606 40256 45152 84274 230694 288072 0 135658 FFA(C24:5) 1556783 291447 629294 569257 186141 731101 1189489 1563958 469433 626595 FFA(C24:6) 1866638 410437 596884 393672 279119 286417 1089823 942156 523612 453538 GD1(16:0) 1358477 1048209 1193983 1491873 1612086 5361206 8490068 9506523 3063739 3268337 GD1(17:0) 24111 24257 0 17878 83568 139859 498894 330723 68577 93120 GD1(18:0) 264311 190753 180144 31677 355715 420094 714562 536904 412767 334159 GD1(19:0) 23372 43976 47841 13808 0 46931 198850 125249 8159 50174 GD1(20:0) 961497 639126 1210450 787753 1306611 1011378 1529505 1363879 816146 938446 GD1(24:2) 478027 625638 422897 570812 742876 1636811 3437362 3307050 1107206 1228282 GD1-NeuGc(16:0) 1050507 871042 2351100 2470855 2280581 4725142 9064311 7375698 3729445 7080445 GD1-NeuGc(18:0) 470326 391649 414234 254798 352484 537151 1364318 272388 472419 716886 GD1-NeuGc(22:0) 24279 784643 1661994 1692641 1207823 607574 1186712 577178 640199 1347424 GM3(16:0) 17430082 17836902 32226152 31243342 27176616 42771988 49285420 88549264 34274800 24437650 GM3(22:0) 2480199 2601936 2247923 2060634 2457601 1245026 1806473 2367446 1357992 953075 GM3(24:1) 6452127 3363693 4559705 4790794 4491344 6164420 8307596 10264490 4473314 4700814 GM3-NeuGc(15:0) 0 97934 20588 0 264001 246027 196748 783784 244139 0 GM3-NeuGc(16:0) 18929672 16677474 26670142 28077220 24023202 40604100 42686292 84769784 36930136 30621572 GM3-NeuGc(22:0) 6802008 3137797 4160197 3843159 4396414 3648301 3405284 2527632 3181995 2601163 GM3-NeuGc(24:1) 7806906 3077846 4512857 4447542 4866511 6838842 7613467 10553280 4712016 3481478 Hex-Cer(16:0) 17236800 11128641 14264137 13189247 15369701 19598690 34646324 76008752 19955552 18997162 Hex-Cer(20:0) 2245034 2847329 3728364 3325694 3909616 3878717 7938785 9516083 5697385 6101876 Hex-Cer(20:0)-OH 1106781 1554553 1440757 1084477 1693997 3564575 3017197 3715400 2170529 2347307 Hex-Cer(21:0) 3186964 3541429 3319487 2129350 3594330 3821855 4819857 7561525 5340880 5315649 Hex-Cer(22:0) 217411696 215935872 242113424 219770624 224663152 211637472 267509824 355267008 290492960 256393440 Hex-Cer(22:0)-OH 24753948 21893906 23035140 21960198 25574344 22178986 20006364 20582266 22426666 22189642 Hex-Cer(22:1) 1767447 1571965 2105722 1798931 2031493 3357483 5711567 5469724 5842443 6349766 Hex-Cer(23:0) 118912120 111580264 118376496 105093344 122009432 185445840 188980688 317673920 223297744 204601520 Hex-Cer(23:1) 4129902 3445117 3781931 3271548 3972568 6133866 6842083 13349889 7614584 6819808 Hex-Cer(24:0) 190657648 169381152 177408320 186474672 171663184 295113344 312986656 504171904 362115712 332022272 Hex-Cer(24:0)-OH 14233977 13841352 13894362 12663721 13231245 8688920 8196810 8130384 11637924 8745304 Hex-Cer(24:1) 242561184 200536928 243335760 229217696 251813712 397105280 512247808 960341630 463257984 387181472 Hex-Cer(24:1)-OH 3310300 2750901 1931361 2499370 2913823 1881159 1800806 2675850 1031153 2282251 Hex-Cer(24:2) 4502396 2263968 4547726 4286540 4221582 9116958 15356788 34112608 9229157 7633518 Hex-Cer(25:0) 12190938 11012875 11412039 11342341 11873541 27711854 26038998 49672708 29107558 32567286 Hex-Cer(25:0)-OH 2536119 1454016 1547620 1402255 1667089 1662385 1315225 1875336 1250230 1275936 Hex-Cer(25:1) 2434144 2309243 1844025 1355179 2623455 5497238 6152890 12749609 5631825 5225076 Hex-Cer(25:1)-OH 503643 553572 720754 409879 672529 757936 587509 3238635 460398 980747 Hex-Cer(26:0) 2188566 1851857 1781703 853407 2277912 6157075 6181275 9112104 6735902 8939835 Hex-Cer(26:0)-OH 1388312 588998 689027 548690 1207689 3243410 1676936 907733 2011581 2798809 LPA(a-16:0) 2656705 3347132 2418941 2734858 2824094 998447 1073026 1317604 1528767 1374162 LPA(a-16:1) 161076 5280 134405 156622 123389 222857 146882 104074 143709 241612 LPA(a-18:1) 1661223 1138708 1113884 1156201 1185888 1331687 1294005 1220230 1164669 1117597 LPA(a-20:4) 24745 10806 19534 7612 5011 33128 42996 40877 0 33213 LPE(a-15:0) 185112 282866 228325 206169 293522 381736 318656 436796 376623 340616 LPE(a-16:0)-1 154027920 181804048 179526944 169656656 173887088 170846096 170804784 227238720 166166624 173838800 LPE(a-16:0) 19919078 27311098 23641272 23434042 25102608 23777200 23284986 32051774 20838752 25738994 LPE(a-16:1)-1 358396 506330 418632 429887 373649 546194 400823 429846 494696 677480 LPE(a-16:1) 3030990 3872889 3536802 3243731 3479225 4246154 3608715 3932028 3955449 5183501 LPE(a-17:0)-1 4045910 4015257 3166104 2939525 3608239 4070713 3432297 4918016 3128971 3288438 LPE(a-17:0) 849158 1060437 749109 648540 852922 1059470 894028 1303702 818242 774588 LPE(a-17:1) 229358 261443 235288 246718 267234 389424 257355 263508 302551 332756 LPE(a-18:0)-1 175483136 177676480 144704992 140175600 138946176 110907680 121490736 170327824 105775016 105801960 LPE(a-18:0) 36257448 42730652 30564416 29480690 30302664 22863282 25898980 35333640 20529380 23785218 LPE(a-18:1)-1 68219264 65179860 57937252 53364052 59163964 104878784 83999240 97129088 74936104 89707448 LPE(a-18:1) 11548878 12378908 10924976 10483518 11207955 23010782 17322214 18627994 13578070 18716088 LPE(a-18:2)-1 39577736 50723076 32900098 34604580 39447484 43581276 36829220 42209668 33374314 40815448 LPE(a-18:2) 39017936 36336528 30343052 30596136 31961188 35114524 28774604 26787552 32167834 29436450 LPE(a-18:3)-1 894960 1199931 790333 859086 904099 716948 609474 535905 759979 756144 LPE(a-18:3) 378784 482574 350256 308314 364940 283923 227535 134798 320449 244505 LPE(a-19:0) 597457 795780 562148 555478 628285 816965 769541 900806 803983 939311 LPE(a-19:1)-1 312837 424806 241703 219621 323565 553373 436196 629779 471319 550776 LPE(a-19:1) 58692 65406 56158 39706 74830 103809 74132 132269 63895 106870 LPE(a-20:0) 223045 344369 227350 251812 280916 285563 295536 235132 215426 297872 LPE(a-20:1)-1 2723071 3534694 2374001 2413769 2905934 4380967 3982903 4982596 3812653 4608375 LPE(a-20:1) 741997 690820 577402 521211 615306 1074595 931860 962333 814593 999889 LPE(a-20:2)-1 573386 677548 536894 520138 641081 1173848 1030104 1836876 831620 1050293 LPE(a-20:2) 238257 240412 206257 171691 222373 390226 319356 460010 301399 298703 LPE(a-20:3) 1445265 1895943 1581961 1622473 1704502 2621478 2572618 3238000 1411711 2523030 LPE(a-20:4)-1 64130692 75538104 63677436 67385216 66216452 69673320 64999336 94957752 52644812 78474896 LPE(a-20:4) 77895056 73693048 75051248 75814024 70950504 75470616 65405552 80605064 65890884 75683688 LPE(a-20:5)-1 8125183 11409836 7565019 8039034 9700094 7828764 7109353 13005656 8301179 9081158 LPE(a-20:5) 6751813 7252524 6210994 5866701 6993223 4985720 4557281 6661794 6810957 5239886 LPE(a-22:1) 200556 247660 216886 208253 268713 425027 386352 463025 321785 459365 LPE(a-22:4)-1 312132 265696 240140 227051 188528 416259 568178 1129473 223624 361671 LPE(a-22:4) 428510 307710 388518 398235 416065 642935 685081 1219953 385501 415182 LPE(a-22:5)-1 262071 351349 245557 250323 198589 433557 344535 697157 208643 267092 LPE(a-22:5) 5713562 7959223 6062969 6268267 6469317 5890194 7079257 13361985 5530181 6201378 LPE(a-22:6)-1 102296448 141562576 124413312 130585168 135212448 152711328 139945088 185977408 116905472 153040864 LPE(a-22:6) 106923584 118119360 120416800 119712304 120853464 135838880 121683920 139027648 119314168 122467472 LPE(e-16:1) 6699232 4935784 5059604 4584545 4815509 5439027 9352161 15605501 6104347 6842246 LPE(e-17:1) 109317 183212 182351 92739 207808 243661 335626 843381 232118 204851 LPE(e-18:1) 7315416 6088371 5770230 5347806 5797010 7710814 9150089 15306821 8343798 8016351 LPE(e-18:2) 8591565 5499377 5786358 5388461 5032737 6016842 8375665 12844968 6252603 6932706 LPE(e-18:3) 146460 77973 94215 74660 92705 164056 231381 462030 124511 0 LPE(e-19:0) 50263 33504 25227 28294 36437 77565 58352 33588 16074 40651 LPE(e-20:0) 3764701 3950680 3512125 3206076 4293956 4630543 4505064 2462086 3053711 4091278 LPE(e-20:1) 1928991 2577957 2173874 1947031 2545848 3064119 3111187 2787760 2656595 2796043 LPE(e-20:2) 147317 154021 124970 88792 114809 219354 242129 307548 198139 222030 LPE(e-22:2) 128287 179941 172299 110697 175349 416110 317723 265764 0 170901 LPG(a-16:0)-1 1148757 1025245 1156081 1027271 968236 781730 948540 1534689 965995 1048774 LPG(a-16:0) 257646 266205 297691 235392 317936 156759 297714 692518 231818 234561 LPG(a-16:1)-1 88379 144613 78515 72379 71587 110532 164065 233783 129380 146352 LPG(a-16:1) 315923 258021 299741 320701 302719 270119 402024 377941 416558 421396 LPG(a-18:0)-1 1095493 902824 593965 483038 616898 186276 507950 588356 368124 262018 LPG(a-18:0) 384462 246073 226376 162263 221760 77919 124640 166514 125295 64793 LPG(a-18:1)-1 2301661 2611772 1996994 1755046 2091283 3642500 5213922 9197773 2962129 4599827 LPG(a-18:1) 10866817 7207371 8591523 7632929 7896027 12166470 16459297 17834994 10907966 12131568 LPG(a-18:2)-1 2469248 2643114 1769009 1805835 2093016 2536322 3234139 5457930 2336124 3231662 LPG(a-18:2) 12611716 8294730 8924176 8324966 8828268 9403217 12226002 12202343 10352756 10025033 LPG(a-22:5)-1 41508 6896 4656 14728 12002 59777 112149 414703 22634 122384 LPG(a-22:5) 600122 299442 454042 404116 373720 724446 1499600 3291497 643615 981333 LPG(a-22:6)-1 9769077 7447962 8551086 8051650 8480015 13864230 19356912 26977570 11421132 20537608 LPG(a-22:6) 33385936 15773524 27822456 25729556 24414208 38814552 45754900 43779996 36839412 44341764 LPI(a-16:0)-1 795765 944467 773075 676505 679585 703593 709431 955879 886715 791102 LPI(a-16:0) 13060457 14631486 12629921 11223837 11761720 7380039 8852884 12897348 11786548 8738966 LPI(a-18:0)-1 205481408 187964336 139982784 119685984 135472224 80988096 111076432 108478288 100022608 90921408 LPI(a-18:0) 10390711 13560562 7445364 6070537 7353873 4475741 6225820 7517488 4702633 5432469 LPI(a-18:1)-1 14036939 11538541 8519940 6701019 8709669 14867397 12237534 9437886 12600193 12991681 LPI(a-18:1) 979092 1559907 938570 986505 1096251 6537197 2992029 2125642 3021703 4769012 LPI(a-18:2)-1 2186321 5646503 1756225 1951129 2397618 6874472 2615167 3706921 3424780 5540780 LPI(a-18:2) 5501613 10328048 5502209 6531603 6791138 18475692 7718322 7161429 11483708 14631307 LPI(a-20:3)-1 1387050 2835044 1561159 1517966 1469561 4658896 4726516 3501928 2338267 4360437 LPI(a-20:3) 3156399 3775226 2822434 2672261 2748729 5335905 5113378 2836349 3382268 4991513 LPI(a-20:4)-1 31552236 51571752 26753380 23543534 27964482 31452934 28110332 49114888 25751602 34555444 LPI(a-20:4) 100947760 95010424 81019696 71746152 75083928 81450032 72784776 77235440 85123256 71404216 LPI(a-22:6)-1 846828 2441819 903155 883533 977568 2481370 1638413 2536341 1547301 2769279 LPI(a-22:6) 2602412 3647234 2550720 2524739 2566561 5513532 4000318 3133755 4316746 4894073 LPS(a-16:0)-1 2250402 1425226 2458648 2229431 1281866 2084291 1690182 1642907 2435840 2369967 LPS(a-16:0) 26667 42025 24425 27347 27062 50746 46514 88357 31391 54023 LPS(a-18:0) 25274248 20278400 17679344 16154156 16821768 12680429 17826676 21832668 16334497 17737542 LPS(a-18:1)-1 590061 649526 536966 579121 598219 1490859 1299457 1745338 995898 1455669 LPS(a-18:1) 335249 333003 342878 385784 345113 887083 936589 803858 460003 684103 LPS(a-18:2) 622952 751191 661581 562048 646989 1191576 961302 1252370 871466 1175425 LPS(a-19:0) 232536 162968 145757 130551 223375 181973 171174 235517 214043 219097 LPS(a-20:3)-1 52543 101997 53327 63165 60875 145289 118456 196225 45886 164743 LPS(a-20:3) 221936 187617 202312 246956 237216 426665 340187 341948 163984 399005 LPS(a-20:4)-1 2343483 3461168 2669808 2299596 2339506 3317204 2957590 5755827 2868965 4224465 LPS(a-20:4) 8042093 6219303 7374343 6901618 6492478 8182928 7494386 9222804 9276985 8976054 LPS(a-20:5)-1 187628 255472 180889 188048 174883 207203 227496 522084 265538 305011 LPS(a-20:5) 462555 372239 458828 418281 410542 452912 329194 609848 797795 581813 LPS(a-22:4)-1 102283 1324 33355 78842 45288 147088 149104 224020 93095 140676 LPS(a-22:4) 13679 0 0 31392 22277 37177 56537 146612 31651 48139 LPS(a-22:5) 157284 206419 164750 174460 151130 320498 287150 548971 213385 309001 LPS(a-22:6)-1 7772115 12559995 8258106 8010547 8751120 10674659 8852288 13729726 7712991 11444663 LPS(a-22:6) 18615342 16488351 17142660 16717239 16089696 18869690 16742085 15229398 17640800 17477672 LPS(a-24:2) 2135097 2883920 2928865 2373985 2193338 5540195 5300904 7216299 2838395 6249432 LPS(a-24:3) 30659356 36735608 36211404 31784788 32622016 54598952 48007672 67012804 40429700 58970540 LPS(a-26:0) 799522 764185 892763 955662 929840 1946988 1154990 1821929 1510852 1476343 LPS(a-26:1) 226262 133547 129814 116455 139258 145802 113517 136555 168140 160349 LPS(a-28:1) 617663 250594 354818 348286 411186 82747 221266 449528 324196 291762 LPS(a-28:2) 1343914 312512 750092 925584 1002711 253424 161221 118362 333758 201834 MLCL(aaa-52:3) 4854971 4293973 7081069 6227518 5277302 8989332 5754356 5287299 7507949 6213808 MLCL(aaa-52:4) 3194293 4952375 3993334 4862672 3961232 14498040 10377379 6454127 8466296 10486262 MLCL(aaa-52:5) 18407952 19760538 23503952 23662914 19291290 38582304 28614836 21001228 30334702 36841336 MLCL(aaa-54:4) 12849917 10306234 12899676 11928563 10172556 22752480 13786128 12754946 16159897 13394485 MLCL(aaa-54:5) 11127576 8188205 11114566 13576008 10281094 21517132 16539562 14647823 17873924 14878118 MLCL(aaa-54:6) 417644096 311815232 398034464 372373408 367319968 620528830 369081248 367934208 428071616 392367232 MLCL(aaa-56:7) 14495239 7396418 10600486 14362608 10539568 28275610 21717552 10568042 16713185 22096752 MLCL(aaa-56:8) 6106815 2632603 6624539 7218528 6120935 10222598 8657180 4269507 9560612 9306569 MLCL(aaa-58:10) 7232861 6580737 6925073 7196233 6248731 19282314 11220560 8623622 11926992 10419810 PA(aa-28:1) 63448 59638 124628 60493 83002 31673 69515 0 105607 88801 PA(aa-30:2) 530325 803091 1450728 920967 1270582 856501 788861 759370 904616 950207 PA(aa-32:2) 956954 904104 1533658 1367998 1176289 0 998357 1119943 1101277 882112 PA(aa-32:3) 452024 380581 970746 538449 567866 676391 719211 530879 452139 879979 PA(aa-32:4) 49959 0 99775 44167 68646 44884 22761 45518 76675 62224 PA(aa-34:1) 21007502 25392200 25050190 22345172 20727556 26852748 22339042 21578502 19104092 22398532 PA(aa-34:2) 45404228 51050196 49812448 41115136 35674516 37611840 42299160 38414712 38161004 37466356 PA(aa-34:3) 5964475 4548025 7454996 4511451 4276679 8367794 7248131 4109017 4540633 5656824 PA(aa-34:4) 524728 538422 935885 861362 1008370 811092 572797 718471 831745 473277 PA(aa-36:2) 16745913 11525017 9562795 6805413 10295794 11871882 11244836 19804006 9589670 7189414 PA(aa-36:4) 14509619 10243475 12722889 9194653 7968976 12974322 16448866 14983332 11931347 12866420 PA(aa-36:5) 1266830 1238880 1514022 976225 1264117 656410 1566222 791279 1155228 1157446 PA(aa-38:1) 71682 260301 174326 136951 163813 46531 84161 128471 82460 124357 PA(aa-38:2) 104579 170542 39467 59279 78886 94993 165835 128162 52059 33693 PA(aa-38:4) 26195720 27083518 34953220 24584324 30648108 24783716 26173352 42553444 28062388 22117190 PA(aa-40:4) 259724 468878 349022 278849 268478 406825 142022 367955 220167 320356 PA(aa-40:6) 9568937 5848050 8244306 5456719 5959455 3665385 6274046 13673581 4878252 3930417 PE(aa-32:0) 5571757 4942657 7173527 5712001 5943089 13138318 14035827 14783995 8668374 10753078 PE(aa-32:1) 30274940 32372508 35575048 31156950 29298402 30731930 34807176 25639548 35251268 38699836 PE(aa-32:2) 6526017 5662398 4549310 4171018 5453926 3942449 4080773 1952074 4749726 4039211 PE(aa-33:1) 1027105 867851 834192 699263 765465 1023374 801652 855119 915654 935382 PE(aa-33:2) 12603806 9623587 8610890 8640683 8852346 7772747 7672427 5706443 8810474 6427864 PE(aa-34:0) 2734380 2688002 4085552 3135327 3528842 4668595 7248700 6223985 2848028 4934094 PE(aa-34:1) 266651024 285324736 294898624 259857968 284802528 485152448 450644864 296456384 389258144 441616160 PE(aa-34:2) 1675501700 1644981500 1460118400 1501259520 1428161020 978301570 1069229440 909432960 1210800640 1049419970 PE(aa-34:3) 336108672 287800960 266242016 251996576 271744896 259449280 234179808 142242416 288286048 255878800 PE(aa-34:4) 4759499 5136638 4331273 4478813 5528330 2689924 2653003 1125897 3867239 3065211 PE(aa-34:5) 9754876 5582860 6280624 5683535 7600749 2260334 1972829 4878102 7569506 2648640 PE(aa-35:1) 360217 805944 459139 302812 451825 783571 928144 1075085 376053 671969 PE(aa-35:2) 91759608 83271584 67189992 61197040 72558448 70333272 57059836 45967272 66761684 52414044 PE(aa-35:3) 14264408 13121353 10228750 9884510 10765991 12924308 10923434 6654819 13161837 10733466 PE(aa-36:0) 1620530 1698606 1991726 2061619 1948553 2443463 2199807 1668400 2158846 1848072 PE(aa-36:1) 142003424 127016784 106337488 100303736 104069896 146194272 171640560 121376256 114603168 119956864 PE(aa-36:2) 1475311740 1233660930 1014963650 1009798780 1063120510 1079887360 1013720190 842584190 1004179200 883938690 PE(aa-36:3) 1030955390 885459200 748375490 702255490 800777920 1207052930 983036930 705036030 967510080 976844540 PE(aa-36:4) 1993987070 1850768640 1829032960 1886159360 1799167620 1579331330 1495220740 1670629760 1727962240 1688408580 PE(aa-36:5) 906823420 802819970 856676610 837281220 889007360 770695680 705988740 931863360 1028987260 867331580 PE(aa-36:6) 26010886 27800504 27514040 27999776 35165740 23713406 19145108 23142998 35490312 25689818 PE(aa-36:7) 4007625 3557415 3343038 3933839 4746901 0 1112040 2640668 4115768 0 PE(aa-37:1) 7944551 6495035 6086565 4386621 6350600 7879795 7839068 6622425 7931619 6951781 PE(aa-37:2) 46985164 37251704 25711712 23901926 33802700 28265026 31779046 27142492 32246100 27115890 PE(aa-37:3) 4491300 4642245 3916210 3697154 4573533 7723424 6152645 5363446 6521755 6191054 PE(aa-37:4) 168903616 153338640 159320784 147403120 160549152 182329344 140074400 152758272 161374576 157297584 PE(aa-37:5) 15421616 15909454 12824346 12593778 13461074 15839227 13180400 17364432 16056590 16366716 PE(aa-37:6) 72371048 57558916 68800312 67040936 72636656 90307232 75302544 67263672 80779744 73033496 PE(aa-38:1) 67047980 57218480 54899092 53813824 54285820 50135836 54719356 38235104 51597752 42758316 PE(aa-38:2) 73314248 75348064 60117980 59040412 69769760 74740848 71710168 58321852 64238996 59211640 PE(aa-38:3) 131130032 144825232 137805264 143274416 129807184 132925840 211938320 181429328 119114704 135355792 PE(aa-38:4) 5095117300 4762661900 5195377200 5307704800 4764374000 4029890300 4246484990 4086475520 4243680770 4260271360 PE(aa-38:5) 2186471420 2163610620 2231597570 2166071040 2217539840 2248137220 1993418620 2274096380 2317778940 2295758590 PE(aa-38:6) 7610337300 7847020000 8471638000 8539600400 8243291600 7611840500 7683057200 7914710000 7803616800 7711557100 PE(aa-38:7) 523713600 540477630 616013950 575557500 592490750 646486020 529333760 496598016 666942270 647334910 PE(aa-38:8) 37335936 45065880 42057588 46880556 47497840 17978350 11204814 25115872 45404420 15967638 PE(aa-39:1) 505901 824452 73217 437123 388641 815748 682370 597360 829586 783967 PE(aa-39:3)-1 587257 747055 935793 471538 715692 1140551 824201 1297515 641480 1136298 PE(aa-39:3) 3373987 3515666 3292594 2665951 2872830 3187208 4417912 3740784 3350694 3086484 PE(aa-39:4) 170495760 169807408 156010688 154354560 160629408 140965088 138403488 152625024 171378672 164187760 PE(aa-39:5) 15540597 20320216 16097457 16536802 19632228 24415558 20808988 26005554 32446588 29095548 PE(aa-39:6) 208633184 192331168 190686752 173050096 202103728 212846144 199683216 195607696 180031216 169008384 PE(aa-39:7) 28100968 27067172 30490474 29650290 29221700 42088432 35372592 29316308 37422192 36525768 PE(aa-39:8) 433112 316000 349932 309984 559572 275714 268133 261786 524305 255478 PE(aa-40:1) 2575061 2201042 1857197 3168692 2221488 3698486 3049279 2605042 3146011 2534729 PE(aa-40:2) 8058738 8653661 7679434 8785017 7511734 18216462 10632925 8529494 12019396 10794207 PE(aa-40:3) 7823048 8079734 7839276 8423294 7757087 8056610 10007553 7818523 7781619 6307292 PE(aa-40:4) 254127680 266720704 242985920 243292304 237719280 153268480 154352848 172759184 172961728 140107088 PE(aa-40:5) 24118948 25582434 22341156 20861180 20132608 15170460 18203402 32965216 15096277 15476338 PE(aa-40:6) 3268799490 3135181310 3132271360 3138815490 3131297790 2431635710 2682364420 2728753410 2459813890 2126997500 PE(aa-40:7) 1561129860 1565357570 1734641410 1694981250 1707538820 2509691390 2135840380 1962089730 2022600320 2109748100 PE(aa-40:8) 524627584 494788416 450989920 467317504 507583424 429229632 346329152 374368256 448772288 362012960 PE(aa-40:9) 26394308 33626860 27179386 30680184 32943942 18140498 12830564 15483725 24772608 16087334 PE(aa-42:1) 879899 1303616 1342927 1701283 1352554 6162722 4114733 7325755 5154040 6472685 PE(aa-42:10) 21338612 19764134 20580712 20522738 21097012 24120040 17987592 29802344 25099470 21615060 PE(aa-42:11) 3835442 6415544 4830911 5242869 6250035 4351274 3500609 5971868 6375494 3255936 PE(aa-42:2) 2049632 2072601 2677539 2763808 2382116 3853711 2340709 4384869 2743494 2530228 PE(aa-42:4) 9174534 9683783 9734941 10961868 9515128 9987508 10217974 12618401 9027213 8753663 PE(aa-42:5) 17270708 17958438 18575566 20691144 17260048 17217776 18259686 24489448 21034480 17700678 PE(aa-42:6) 33019912 38133772 30987694 35438700 37229184 27845996 27189686 24039258 27843130 17542694 PE(aa-42:8) 21534064 20502456 21725164 24006824 23439770 45380432 40316820 50594640 38890380 35152848 PE(aa-42:9) 3741472 5286772 4317981 4945914 4277766 5478072 4929882 7540374 5175397 4722576 PE(aa-44:12) 8422831 8120347 7846502 8751149 9025751 8249525 6844329 12671287 9355958 5738002 PE(aa-44:4) 1244514 1493726 1783871 2329665 1800635 2183539 2017536 3560564 2795755 4192051 PE(aa-44:5) 1215155 2229407 2122609 1796341 1605415 3204025 3180181 4375603 3009489 3551456 PE(aa-44:7) 1334158 1110034 946610 1590512 946506 1638802 1004686 1353818 1404601 929159 PE(ae-32:1) 1676864 1724965 1126947 1109069 995519 630179 1131420 1458191 1703215 1177679 PE(ae-34:1) 1744923 1316214 1164847 1003963 1280651 3215398 2542845 3302674 2639526 2491536 PE(ae-34:2) 125173680 130603800 117792608 113239600 105158648 71575696 125528088 138293408 117742384 118900312 PE(ae-34:3) 38828156 35121716 32963708 32986896 32666468 29978464 36045840 43616184 39921936 32378192 PE(ae-35:2) 1860089 1596404 900211 849518 1303951 669075 1072779 1690330 1147970 1083655 PE(ae-36:2) 73356072 63700384 62957360 59440628 64120472 68589768 71878160 83707272 81099672 63228824 PE(ae-36:3) 73619144 60978224 48817956 51616132 50339832 49404532 65819788 65718400 69828320 49775928 PE(ae-36:4) 27365554 23746904 20861748 22606334 21747634 22394820 26480772 35343192 27276348 25500730 PE(ae-36:5) 481642304 429583968 461392160 453994784 462210208 523221632 708678530 1014786430 569614400 582083840 PE(ae-36:6) 31535654 27209788 25418012 25278772 27039224 19457512 33395294 56515868 24290972 26096938 PE(ae-36:7) 7619379 6575151 8384211 6657742 6775374 3765396 6168714 6297465 4611844 3691133 PE(ae-37:2) 530108 511890 134393 390107 639751 1324095 205155 1152445 782520 474624 PE(ae-37:5) 3640870 3615910 2943543 2873495 3430940 5813736 6597316 14222352 5283091 4437327 PE(ae-37:7) 4071659 3748093 3651762 2855519 3824614 1726697 2686345 2674376 2343056 1748661 PE(ae-38:2) 16259117 14717498 13307609 14276231 14559436 27892340 18198500 12616042 24050186 21218676 PE(ae-38:3) 28262010 25138558 25295524 23234392 23528818 35018180 27468324 27210862 31388408 24858634 PE(ae-38:4) 19590048 18679096 17271132 17380720 17103506 14642132 20657060 21272984 16218807 15952358 PE(ae-38:5) 152512272 140571088 141764800 129367880 128113328 142155776 188073216 279173248 153650768 138282928 PE(ae-38:6) 82810720 90501024 89514872 83719424 93061040 155042240 194202336 280470912 162740128 150767968 PE(ae-38:7) 383246272 367876864 395402304 374487840 380363136 398825024 613029500 721584830 472369536 464550848 PE(ae-38:8) 5497031 3686234 4188687 4301731 4626751 4459035 6486844 8936743 4668228 4633073 PE(ae-39:5) 6761095 6950935 7351290 7674297 7079830 6863684 7754008 7954754 6206907 7628942 PE(ae-39:7) 8134022 7924390 6326195 6671883 6825655 10801618 12133028 17395220 10930108 10729584 PE(ae-40:2) 4909077 5059931 5044013 4889489 4414815 14947048 6962653 7488202 10153056 10575236 PE(ae-40:3) 3455501 3797381 3083776 2911882 3117669 6296588 4728895 4356087 3991759 5025954 PE(ae-40:4) 19898290 20177152 18409880 19003724 18258568 24717938 19928884 16845736 17888288 18819516 PE(ae-40:5) 132831056 120008544 129134400 122709872 129216344 140867712 135427408 192973408 120264184 103199384 PE(ae-40:6) 78995784 79005472 73081872 67342624 72380304 62757064 91607312 114572704 72022832 61714320 PE(ae-40:7) 146395552 155050400 148420256 140168448 132960448 136503360 221835776 237934528 174070912 143696720 PE(ae-40:8) 93249616 95604032 97067320 93616048 97975840 239760544 263084496 298589376 185863680 187781248 PE(ae-40:9) 4571175 3710665 3438967 2060721 3104442 4509030 6054738 8914911 4097719 3677035 PE(ae-42:7) 181316128 193742192 193026560 185720160 198354832 164729968 135107552 121733264 149743744 124953696 PE(ae-42:8) 3598153 5216420 4080296 5033687 4195054 4319991 4486660 4370951 4881651 3947432 PG(aa-32:1) 1862096 2269171 1653018 16914 1147595 2054168 3051140 2482229 1571077 2065877 PG(aa-32:2) 394200 638732 576183 820304 562322 647108 498555 479870 669219 996938 PG(aa-34:0) 120653320 101676416 136186208 141148464 114554000 19011444 35138884 59707488 33406134 22784744 PG(aa-34:1)-1 6031856 7395704 7283271 7335034 6885542 7431974 7653832 8791707 10021946 7800873 PG(aa-34:1) 548258110 701577730 623616000 606817020 773240190 560906430 678547460 650172800 728249020 707159100 PG(aa-34:2) 232690592 206871552 335114752 346531264 256167936 234061728 204888352 248403728 271808832 294422368 PG(aa-34:3)-1 11341534 8609570 11504246 11854896 12399990 11774905 9034289 8184857 10108534 11453275 PG(aa-34:3) 11641022 11950588 9678064 7734538 8125549 12238829 12387775 11940837 13380773 12414381 PG(aa-34:4) 1405740 1511903 960949 731089 794898 980807 858806 550869 976826 1099025 PG(aa-34:5) 699954 423518 324865 290217 283773 270883 199088 23946 308188 174592 PG(aa-35:1) 5307563 4315102 6232875 6583454 6732577 4874195 4545707 6185091 4921423 4260171 PG(aa-36:1) 926646140 684848320 787602690 819426300 739296450 399349184 542424700 788926460 517760224 413936544 PG(aa-36:2)-1 505384896 387251872 335669568 354281600 400947904 132069904 185483440 375926304 217040256 167746384 PG(aa-36:2) 202561184 132360496 136243744 135555632 142899648 70178856 96288736 163063024 89770976 81601976 PG(aa-36:3)-1 94990008 134886336 67312016 67564848 85834752 111447952 137374656 182862320 96345632 127334936 PG(aa-36:3) 286159936 197863264 202404064 191596768 198804064 486617984 397369088 392798016 354286144 327459488 PG(aa-36:4)-1 20120636 19386994 19127648 18561396 18295164 10545794 16069192 20592236 14304255 17136476 PG(aa-36:4) 180976416 151270720 79896320 72947696 109958432 89185728 105004128 98395840 78828808 73366224 PG(aa-36:5)-1 1217435 1339131 1386700 1226246 1322991 256174 1052407 1814577 1148466 1419426 PG(aa-36:5) 21204624 20622200 15008852 13519348 15162338 12478114 14168427 11710300 16237718 14013428 PG(aa-36:6)-1 1219607 921827 831133 715525 698497 626297 573207 481149 943922 517885 PG(aa-36:6) 1881180 2092418 1484141 1395830 1644696 1290107 1982643 1985233 2457110 1692275 PG(aa-38:2) 78477360 58072508 53067836 50745276 64733112 157736016 181425216 318971296 154243792 115252264 PG(aa-38:4) 108808184 85665416 83482856 87954328 94794304 40953124 62568632 123058440 70969728 52406776 PG(aa-38:5) 13903883 17720614 9857084 9839648 14477863 12335330 31864572 49965980 14476158 19506904 PG(aa-38:6)-1 5638437 10887007 3552543 3906856 7636338 2558577 4939317 6223644 3015083 4098251 PG(aa-38:6) 148381536 103926152 95374424 91446112 110598648 133055080 198826144 207042032 137156448 114031520 PG(aa-38:7)-1 705926 1227524 599972 770968 777716 426497 747052 668088 685694 582994 PG(aa-38:7) 81039760 77617024 79189760 73292464 74805728 89395648 112872368 112283760 120002448 95681616 PG(aa-38:8) 7136713 5886823 5364059 4884538 5324210 4611066 5117160 2753648 6307148 5002664 PG(aa-40:3) 1045009 1024401 683498 890041 744257 4428596 3006540 3520514 2183130 1639319 PG(aa-40:5) 8387052 8511270 10776888 10543601 10393838 53202268 57403404 83692392 40241736 35868660 PG(aa-40:6) 54236404 44372284 50581424 49854328 47601740 88363736 168194800 253061104 93151392 83487120 PG(aa-40:7) 814456190 656993020 706373760 698800320 720923650 1113738500 1215652860 1166385150 1004914560 1137468670 PG(aa-40:8) 981729540 773793150 755177220 738685120 822478460 894370500 898597500 810990590 973655740 869252160 PG(aa-40:9) 56118000 52266552 57438408 54451976 55003588 52596852 68773600 57129948 74350544 61118356 PG(aa-42:10) 146328864 109948480 136853472 136701808 135494464 161475920 225357952 287466560 200888624 174355360 PG(aa-42:11) 116267832 112206400 139833024 143677056 142525376 154177616 199179488 232331808 242798896 179629616 PG(aa-42:8) 29187496 20264428 23932032 22730706 23193496 35910620 65347848 81330816 38618680 36080168 PG(aa-42:9) 104490952 55047508 80608584 78201304 86845896 95903144 183670816 189611888 88874320 92215496 PG(aa-44:11) 59359964 54855972 43825064 42458736 58278960 20183616 93677840 99057904 25724114 41180488 PG(aa-44:12) 1017395780 887147970 1292861570 1327956740 1217886980 1754040960 1810639360 2116560380 2047511680 1872437120 Phytocer(22:0) 17690380 18410182 16906288 14919492 19057518 10576424 14871476 12640081 11668745 11605470 Phytocer(22:1) 5495371 4706685 4388994 4950040 4449132 4336160 5036024 3500973 4323892 4431086 Phytocer(23:0) 16102324 16274882 14517564 12784444 19375322 13364100 14389360 10843440 10577038 14947544 Phytocer(24:0) 37842936 33240042 31355478 28704986 38285840 35852308 36575744 29640284 32432232 36116648 Phytocer(24:1) 55231536 53419052 51496636 44954392 61957132 47551476 58280080 62167640 54759736 51178672 Phytocer(24:2) 24735524 13973326 13689476 13123800 23790190 15030654 16438354 17783156 16568551 16914652 Phytocer(25:0) 3330447 3431980 3367601 3201927 4387191 5414967 5814307 3962077 3674372 6349380 Phytocer(25:1) 10577016 8240069 9078475 9769016 10445117 17286526 16235084 16310376 17144384 16188615 Phytocer(25:2) 22735378 17995408 20160576 20588096 22149956 21166192 21258012 22051748 20416146 20264760 Phytocer(26:1)-1 2758709 2261975 2285828 2677792 3109724 4096048 4227552 3687047 3784622 3580362 Phytocer(26:1) 3679427 3198825 3306928 2826558 3617213 3113758 3950087 4063581 3858764 3497972 Phytocer(26:2) 4124230 3587965 3746206 3393084 4294097 5274847 5315861 6502516 5151574 5816575 PI(aa-32:2) 307231 368614 665482 607267 394235 981362 398434 310444 1255835 860962 PI(aa-34:2) 599752380 797958020 879031940 895885120 961778110 717764160 553698500 591670850 907078780 831627140 PI(aa-34:3) 15755999 22311188 22937770 20193442 21975066 14495593 12033644 9524037 14834786 13448009 PI(aa-34:4) 3611212 5517066 5811174 4601635 4173113 4545709 3065316 2502806 6475038 4885251 PI(aa-36:1) 613021250 599638460 616264060 505209472 671559040 1465950720 929406980 873765440 952772740 1033261180 PI(aa-36:2)-1 25804734 33330508 30084562 26835214 35368192 61808716 37379296 32256184 48195352 54367000 PI(aa-36:2) 148052544 185133184 154009952 137946016 193660432 370901888 222946912 144232576 263026736 315765664 PI(aa-36:3) 786468350 974251460 954350140 903714240 992109700 1524477310 1139891070 855965760 1245744770 1391538300 PI(aa-36:4) 1904239740 2023736960 2471077630 2558932740 2280093700 2305933820 1899739520 2561912830 2822446080 2292391940 PI(aa-36:5) 69726368 80335800 92723200 97791288 100482064 64823032 51523400 90119264 118969280 76971792 PI(aa-38:1)-1 2611986 2982972 3188854 3281010 3018178 5000780 4519555 4332871 4219526 4888820 PI(aa-38:1) 2684891 3544546 3483847 3533523 4450187 7325161 6783952 5763008 4819919 6011588 PI(aa-38:2) 52968548 47481304 60091284 59598588 48251636 113236208 121854904 81722096 90667896 115882704 PI(aa-38:3) 8994687000 8627491800 10056599600 9999167500 9301558300 12237350900 14590709800 12066893800 9984862200 12330681300 PI(aa-38:4)-1 9925519400 9742843900 9966060500 9939268600 9802995700 8571751900 9133277200 9940244500 9408564200 8733904900 PI(aa-38:4) 12455071700 9428609000 11566026800 11588946900 10217457700 9647887400 9500432400 9402524700 9852824600 9280533500 PI(aa-38:5)-1 71606704 322644096 58531944 71304368 269608800 154224784 241651104 359025440 255864768 256270336 PI(aa-38:5) 1179356930 1102710660 1561696770 1491012480 1269906050 2970793220 2045476100 1605281790 2456076030 2483398660 PI(aa-38:6)-1 214111 810803 677114 586632 270469 1412342 427396 1715330 1466028 1477343 PI(aa-38:6) 175573280 191501120 253385376 255847168 256520064 318651392 240330656 287930592 359532128 323334144 PI(aa-40:3) 12402884 12867468 18011660 19801662 15569801 34605552 35647120 14156408 20700972 28682374 PI(aa-40:4) 287251584 299841056 384503936 428312896 323914432 436008448 376883360 335867360 447324032 372919904 PI(aa-40:5) 726678530 680055810 799821440 772721150 759763580 827142270 937848000 1280194820 928490880 819984960 PI(aa-40:6) 371726144 391455872 395459808 378401856 410718240 475945728 507320480 415122304 481607968 532079328 PI(aa-40:7) 6826524 16240953 7399935 8228172 14695703 14609265 16241812 14791966 16252300 21237236 PI(aa-40:8) 3132519 2822249 2861066 2922165 3096736 6072154 2987439 1875861 5587669 4645972 PI(aa-40:9) 962769 1546054 1276171 1362502 1136654 1449322 90199 1195567 1914076 1297609 PS(aa-34:0) 3766271 5364839 3806607 3489622 4086921 7621080 6058040 17452410 5827461 4663034 PS(aa-34:1) 326947 273839 456115 452299 289563 344520 220001 583111 266564 527017 PS(aa-34:2)-1 1682926 3115366 1678520 1484302 2461456 1550935 1665312 1716060 1812242 1619341 PS(aa-34:2) 43731056 38698616 39021540 41067844 39818020 50066336 43139616 46076360 45853812 67791240 PS(aa-34:3) 1120960 1570565 1001100 981971 1388737 0 906536 0 1160366 1778115 PS(aa-36:0) 38306292 48252864 48281968 37615808 41254648 35652344 44320544 45703676 41817820 44190320 PS(aa-36:1) 733758850 604425280 671432380 730007230 656669310 996798140 970161540 1382688260 953458620 770877440 PS(aa-36:2) 46649924 45357692 40150940 38482340 39443840 65359868 55906420 68741736 57658012 63357884 PS(aa-36:4) 276974560 284970752 343365376 351566688 298901632 325188960 286522368 384060064 408381504 389122944 PS(aa-36:5)-1 21811806 26044254 32036920 31966538 28106490 31737834 23561216 37786636 49689324 37207388 PS(aa-36:5) 635015 587965 275048 280974 502905 57660 294770 165592 78511 90924 PS(aa-36:6) 263669 344154 306410 448793 374456 479961 0 321044 692224 467816 PS(aa-38:0) 1017484670 1076263940 1114947710 1059801790 1095915900 958790590 1071845310 988243460 998390020 1045264450 PS(aa-38:1) 1179699710 1291633150 1170139010 1216508160 1203305340 880257860 944353150 888965820 915466300 902187140 PS(aa-38:2)-1 402573184 381387488 391523840 362538048 393313344 389009920 350595616 259714272 397922112 370501504 PS(aa-38:2) 39586704 40520868 44629832 48628888 39299864 65232508 41134208 61458524 53029952 45487668 PS(aa-38:3)-1 12073969 11283316 13309344 12260945 11204227 15695867 14440122 14727871 14327959 14621053 PS(aa-38:3)-2 11529823 9569258 10679230 9696388 11815680 12088129 13003750 8579506 11597694 11873683 PS(aa-38:3)-3 448068288 457146432 473688448 479206464 485963968 431666688 430056576 778026110 486160896 459326752 PS(aa-38:4)-1 63546968 60125312 71256440 67907696 67356000 49094836 53738044 113496608 77004440 53882520 PS(aa-38:4)-2 127923040 133404288 144759840 141583296 136396784 140197328 135464752 196818528 168597408 157179040 PS(aa-38:4)-3 1252630020 1025941950 1323006080 1228022270 1093036800 1317165820 1190802430 1447978110 1447943940 1418932220 PS(aa-38:5) 232573728 221090832 282195712 260923168 240349728 317255456 270472768 389658112 389479776 339220896 PS(aa-38:6)-1 33203782 93429848 22061628 23908096 45325884 5932844 12439289 19795560 11278999 11462620 PS(aa-38:6) 779856380 789867970 941264060 1000131330 928662020 914198270 808784190 822174980 1008817470 1024325250 PS(aa-38:7) 4030557 6006278 6882188 5707118 5435269 6352931 3556132 5218852 6705146 5515893 PS(aa-40:0) 389943136 352362016 331610624 305096416 301511712 359992160 435601056 419435584 333629088 346121696 PS(aa-40:1) 984499200 933108860 836036670 818567490 890295300 1048052930 948336060 946360700 1008532350 998546300 PS(aa-40:2) 256202912 254826560 220916416 221130160 234256192 238161232 269200704 228331952 221942800 265327344 PS(aa-40:3)-1 235332672 227640800 231516912 228815648 231894736 278863712 295232160 275056672 237875616 297414752 PS(aa-40:3) 368629696 360738464 332045536 336006784 359394592 359924800 314934592 297450496 323049632 327557120 PS(aa-40:4)-1 169372592 151213216 160108224 159320288 192968416 200932384 169026576 255916928 232692352 217510400 PS(aa-40:4) 350077568 296153696 343150304 385924704 326097024 360844512 324355680 573251200 394534048 315872640 PS(aa-40:5)-1 13785913 12479698 13813022 13063502 15745168 14530054 16166603 16543882 17122310 16651181 PS(aa-40:5) 266119104 264131440 281954560 277380160 293261824 259031104 265994080 616994940 340123712 245675936 PS(aa-40:6)-1 70736664 66936252 71607016 71288304 72310864 45040728 52001472 85776816 54259920 46927736 PS(aa-40:6) 1064506110 1115181950 1045264640 1035142850 1060096130 961637500 958766850 1016152640 952569730 950607100 PS(aa-40:7)-1 22422362 31488154 22131678 22640378 27448856 25071072 31320706 38190772 30896966 32368170 PS(aa-40:7) 54354636 53158688 66803404 64529468 60702980 161471360 107902168 90506080 111226096 133715632 PS(aa-40:8)-1 8297535 9348971 10442870 7684461 8249478 8198215 5768397 7925790 5982943 7252283 PS(aa-40:8) 8602075 10815276 8401660 7182077 8303493 8311997 10501057 11798819 11949809 11474995 PS(aa-40:9)-1 1232032 2716219 3315991 2208775 1677019 1251013 582529 1034216 791693 1228847 PS(aa-40:9) 22119204 24211708 24633214 25986456 25435176 20194902 20223400 19927070 22558100 24147878 PS(aa-42:0) 12192926 10783127 9480600 10320971 9441569 9982832 13422769 8614559 13007673 11236727 PS(aa-42:1) 68516560 69422064 60709992 60900752 63365012 100595320 96549040 93053448 94592936 89184352 PS(aa-42:10) 8139593 8617460 11469524 6702063 6905292 6209878 6111937 6914265 4154894 5790155 PS(aa-42:11) 4622650 6834823 7188521 5990074 6571631 3667183 3695128 4161061 5030545 4724032 PS(aa-42:2)-1 128144456 138143776 149259808 141759152 131650320 174714752 250100976 226342384 151612192 201528016 PS(aa-42:2) 3937585 3001712 3281875 3232186 3029449 4723054 5036136 3260062 4005782 4836049 PS(aa-42:3) 530282848 496492512 585009220 571949380 550322940 704811140 698845060 730577860 699589250 765320130 PS(aa-42:4) 117028112 112200072 116122616 112301168 123692112 128992896 144454992 163781040 147513760 156719856 PS(aa-42:5) 848358080 914135230 963397310 953238910 995216380 945836540 1048511810 1048208380 950936380 1046660160 PS(aa-42:6)-1 39098632 31902868 36580220 42046936 37576688 36549332 23169928 48791652 45128548 29099996 PS(aa-42:6) 108812080 111324360 116532928 117903968 123049968 146332512 122005744 117417872 145636096 148039808 PS(aa-42:7) 32532994 30253912 33462436 26706088 35503980 34774976 30939076 33480956 41367932 35505348 PS(aa-42:9) 30018668 29925354 27414782 29422902 29296070 27485776 26748944 29720218 26851014 27345338 PS(aa-44:0) 2463390 2287962 1725802 1934832 2550959 4530413 6726346 5054009 5426947 6132649 PS(aa-44:1) 5124468 5554727 5338804 4497025 5425882 8755425 7052099 8005932 8893859 7271469 PS(aa-44:2) 2922968 2413217 2033791 2745733 2382779 4012581 3728284 3920119 4050142 3273292 PS(aa-44:3) 29962170 27388524 31343582 32867370 30296530 39855008 37436288 39843228 39196396 34265720 PS(aa-44:4) 20119010 19591812 21725308 20981516 19827326 26833216 31076872 42440288 31765132 27534772 PS(aa-44:5)-1 435696320 470915808 481095232 460098144 484490208 319929472 405794720 447802112 430189696 360306656 PS(aa-44:5) 69324848 54919428 66062988 65798156 60875352 40683792 47814476 46028968 51107864 45547680 PS(aa-44:6)-1 33150046 38950504 36991260 38549188 43303452 51404692 57791096 50933524 48844428 56935912 PS(aa-44:6) 13016625 13163924 13846926 13907716 16875822 33432758 31715744 23675164 22462816 29826026 PS(aa-44:7) 71340144 76254016 78246944 77893168 89680072 118570136 90464832 106608592 113911720 107570560 PS(aa-44:8) 23917710 17251566 28502180 32681700 26267084 15645208 18038574 18637094 24723086 16590358 Sphingosine-1-phosphate 1073708 1587617 1349491 1373462 1362184 843570 848815 1356349 968762 1004409 Sulfatide(Hex/16:1) 1353865 1878905 1780746 1686095 2100017 1060804 1127349 794579 2345652 1462497 Sulfatide(Hex/18:0) 5870245 6204204 5394274 4825062 5885528 5559556 5130360 4973729 6385891 6600638 Sulfatide(Hex/20:0) 17927292 21247702 18220026 19460002 16204608 20815736 30327470 32158432 20550234 22651314 Sulfatide(Hex/21:0) 1507656 0 721327 1690764 124725 439575 2725254 3270676 2885272 1088242 Sulfatide(Hex/22:0) 10060167 6741759 7315338 7498275 6652848 9465842 12063210 11266288 9857425 9641271 Sulfatide(Hex/22:1) 25139146 19803662 21241250 20413924 18890340 23250590 40849592 33411086 24645418 25097646 Sulfatide(Hex/23:2) 60748 32467 52154 111446 72864 301244 254447 312438 324862 186791 Sulfatide(Hex/24:1) 6751724 4640868 5670583 4558599 4393143 7141143 8258797 5334937 6281276 5308685 Sulfatide(Hex/24:2) 74434608 73452544 86189624 97589984 77322960 100711328 111077232 98616152 79846056 97392944 Sulfatide(Hex/25:2) 73 60 266029 107679 109037 575404 566744 685745 569061 572394 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PeakID Ion rtimes ObsMass ObsMZ Cer(14:0) Neg_008054 M+Acid 9.7 509.480 568.494 Cer(15:0) Neg_008393 M+Acid 9.9 523.496 582.510 Cer(16:0) Neg_008760 M+Acid 10.0 537.511 596.525 Cer(16:1) Neg_008699 M+Acid 9.8 535.496 594.510 Cer(18:0) Neg_009461 M+Acid 10.2 565.542 624.556 Cer(19:0) Neg_009837 M+Acid 10.3 579.557 638.571 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(22:2) Neg_167246 M+Acid 10.3 617.572 676.586 Cer(23:0) Neg_011373 M+Acid 10.7 635.620 694.634 Cer(23:1) Neg_011312 M+Acid 10.6 633.605 692.619 Cer(23:2) Neg_011256 M+Acid 10.4 631.588 690.602 Cer(24:0) Neg_011766 M+Acid 10.8 649.635 708.649 Cer(24:1) Neg_011694 M+Acid 10.6 647.620 706.633 Cer(24:2) Neg_011634 M+Acid 10.5 645.604 704.618 Cer(24:3) Neg_011586 M+Acid 10.4 643.588 702.601 Cer(25:0) Neg_012137 M+Acid 10.8 663.650 722.664 Cer(25:1) Neg_012068 M+Acid 10.7 661.635 720.649 Cer(25:2) Neg_012013 M+Acid 10.6 659.619 718.633 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(26:7) Neg_181823 M+Acid 10.1 663.558 722.572 Cer-1P(24:1) Neg_012226 M-H 10.5 727.586 726.579 Cholesterol (-H2) sulfate Neg_005728 M-H 8.0 464.296 463.289 Cholesterol sulfate Neg_005788 M-H 8.2 466.311 465.304 CL(aaaa-66:3) Neg_022786 M-H 10.4 1374.953 1373.945 CL(aaaa-66:4)-1 Neg_263423 M-H 10.3 1372.936 1371.929 CL(aaaa-66:4)-2 Neg_022779 M-H 10.3 1372.939 1371.932 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-68:5) Neg_022901 M-H 10.3 1398.955 1397.948 CL(aaaa-68:6) Neg_022894 M-H 10.3 1396.938 1395.931 CL(aaaa-69:5) Neg_022977 M-H 10.4 1412.970 1411.962 CL(aaaa-69:6) Neg_022969 M-H 10.3 1410.955 1409.948 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-70:8) Neg_023015 M-H 10.2 1420.938 1419.931 CL(aaaa-71:5) Neg_023152 M-H 10.5 1440.999 1439.992 CL(aaaa-71:6) Neg_023137 M-H 10.4 1438.985 1437.978 CL(aaaa-71:7) Neg_023127 M-H 10.3 1436.970 1435.963 CL(aaaa-71:8) Neg_023117 M-H 10.3 1434.953 1433.946 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 1448.970 1447.963 CL(aaaa-72:9) Neg_023215 M-H 10.2 1446.953 1445.946 CL(aaaa-73:6) Neg_267439 M-H 10.6 1467.015 1466.008 CL(aaaa-73:7) Neg_023375 M-H 10.5 1464.999 1463.992 CL(aaaa-73:8) Neg_023363 M-H 10.4 1462.981 1461.974 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 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-DHC(20:0) Neg_009838 M+Acid 10.6 579.594 638.608 deoxy-DHC(21:0) Neg_010254 M+Acid 10.7 593.609 652.623 deoxy-DHC(22:0) Neg_010627 M+Acid 10.8 607.625 666.639 deoxy-DHC(23:0) Neg_010991 M+Acid 10.8 621.640 680.654 deoxy-DHC(24:0) Neg_011375 M+Acid 10.9 635.656 694.670 DHC(16:0) Neg_008806 M+Acid 10.1 539.526 598.540 DHC(18:0) Neg_009509 M+Acid 10.3 567.556 626.570 DHC(19:0) Neg_155046 M+Acid 10.4 581.573 640.587 DHC(20:0) Neg_010310 M+Acid 10.5 595.589 654.603 DHC(22:0) Neg_011053 M+Acid 10.7 623.620 682.634 DHC(24:0) Neg_178428 M+Acid 10.9 651.651 710.665 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 8.4 256.240 255.233 FFA(C16:1) Neg_002508 M-H 8.0 254.225 253.218 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 8.3 268.240 267.233 FFA(C18:0) Neg_002844 M-H 8.8 284.272 283.265 FFA(C18:1) Neg_002799 M-H 8.5 282.256 281.249 FFA(C18:1-OH) Neg_003049 M-H 7.5 298.250 297.243 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(C20:0) Neg_003247 M-H 9.2 312.303 311.295 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 8.2 304.240 303.233 FFA(C20:5) Neg_003137 M-H 7.9 302.225 301.217 FFA(C22:0) Neg_003619 M-H 9.5 340.334 339.327 FFA(C22:1) Neg_003587 M-H 9.2 338.318 337.310 FFA(C22:3) Neg_003543 M-H 8.8 334.287 333.280 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 8.1 328.240 327.233 FFA(C22:6-OH) Neg_003676 M-H 7.1 344.235 343.228 FFA(C24:0) Neg_004001 M-H 9.8 368.365 367.358 FFA(C24:1) Neg_003979 M-H 9.6 366.350 365.343 FFA(C24:4) Neg_003873 M-H 8.9 360.302 359.295 FFA(C24:5) Neg_003841 M-H 8.7 358.287 357.280 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(17:0) Neg_000857 (M-2H)/2 8.5 1822.956 910.471 GD1(18:0) Neg_000895 (M-2H)/2 8.6 1836.970 917.478 GD1(19:0) Neg_000919 (M-2H)/2 8.8 1850.984 924.485 GD1(20:0) Neg_000954 (M-2H)/2 8.9 1865.000 931.493 GD1(24:2) Neg_001027 (M-2H)/2 8.9 1917.028 957.507 GD1-NeuGc(16:0) Neg_000911 (M-2H)/2 8.4 1840.931 919.458 GD1-NeuGc(18:0) Neg_000962 (M-2H)/2 8.6 1868.955 933.470 GD1-NeuGc(22:0) Neg_001044 (M-2H)/2 9.0 1925.020 961.503 GM3(16:0) Neg_021127 M-H 9.0 1152.710 1151.703 GM3(22:0) Neg_021921 M-H 9.8 1236.804 1235.797 GM3(24:1) Neg_022122 M-H 9.7 1262.819 1261.811 GM3-NeuGc(15:0) Neg_250280 M-H 8.9 1154.693 1153.686 GM3-NeuGc(16:0) Neg_021281 M-H 9.0 1168.705 1167.698 GM3-NeuGc(22:0) Neg_022048 M-H 9.7 1252.799 1251.791 GM3-NeuGc(24:1) Neg_022210 M-H 9.7 1278.814 1277.807 Hex-Cer(16:0) Neg_013025 M+Acid 9.8 699.563 758.577 Hex-Cer(20:0) Neg_014354 M+Acid 10.3 755.625 814.639 Hex-Cer(20:0)-OH Neg_014754 M+Acid 10.2 771.620 830.634 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(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 10.4 825.666 884.680 Hex-Cer(24:2) Neg_015575 M+Acid 10.4 807.656 866.670 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(26:0) Neg_016403 M+Acid 10.8 839.720 898.733 Hex-Cer(26:0)-OH Neg_016799 M+Acid 10.8 855.714 914.728 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 7.0 458.242 457.235 LPE(a-15:0) Neg_087215 M-H 7.5 439.270 438.262 LPE(a-16:0)-1 Neg_005496 M-H 7.7 453.285 452.278 LPE(a-16:0) 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) Neg_005463 M-H 7.4 451.269 450.262 LPE(a-17:0)-1 Neg_095804 M-H 8.0 467.301 466.293 LPE(a-17:0) 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) Neg_006134 M-H 8.1 481.316 480.309 LPE(a-18:1)-1 Neg_006085 M-H 7.9 479.300 478.293 LPE(a-18:1) Neg_006084 M-H 7.8 479.300 478.293 LPE(a-18:2)-1 Neg_006037 M-H 7.6 477.285 476.278 LPE(a-18:2) Neg_006036 M-H 7.5 477.285 476.278 LPE(a-18:3)-1 Neg_098686 M-H 7.3 475.269 474.262 LPE(a-18:3) Neg_098685 M-H 7.2 475.269 474.262 LPE(a-19:0) Neg_006451 M-H 8.4 495.332 494.325 LPE(a-19:1)-1 Neg_104400 M-H 8.1 493.316 492.309 LPE(a-19:1) Neg_104399 M-H 8.0 493.316 492.309 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) Neg_006723 M-H 8.2 507.331 506.324 LPE(a-20:2)-1 Neg_108610 M-H 8.0 505.316 504.309 LPE(a-20:2) Neg_108609 M-H 8.0 505.316 504.309 LPE(a-20:3) Neg_107965 M-H 7.8 503.300 502.293 LPE(a-20:4)-1 Neg_006605 M-H 7.6 501.284 500.277 LPE(a-20:4) 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) 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-22:4)-1 Neg_007218 M-H 8.0 529.315 528.308 LPE(a-22:4) Neg_007217 M-H 7.9 529.315 528.308 LPE(a-22:5)-1 Neg_007172 M-H 7.8 527.300 526.293 LPE(a-22:5) Neg_007171 M-H 7.7 527.300 526.293 LPE(a-22:6)-1 Neg_007139 M-H 7.6 525.285 524.278 LPE(a-22:6) Neg_007138 M-H 7.5 525.285 524.277 LPE(e-16:1) Neg_086593 M-H 8.0 437.290 436.283 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 7.8 461.290 460.282 LPE(e-19:0) Neg_100516 M-H 8.7 481.354 480.347 LPE(e-20:0) Neg_105132 M-H 8.9 495.368 494.361 LPE(e-20:1) Neg_104411 M-H 8.9 493.352 492.345 LPE(e-20:2) Neg_103771 M-H 8.5 491.337 490.330 LPE(e-22:2) Neg_113447 M-H 8.9 519.368 518.361 LPG(a-16:0)-1 Neg_101474 M-H 7.2 484.280 483.272 LPG(a-16:0) Neg_006194 M-H 7.1 484.280 483.272 LPG(a-16:1)-1 Neg_100771 M-H 6.8 482.263 481.256 LPG(a-16:1) 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) Neg_111067 M-H 7.6 512.310 511.303 LPG(a-18:1)-1 Neg_006796 M-H 7.3 510.295 509.288 LPG(a-18:1) Neg_006795 M-H 7.2 510.295 509.288 LPG(a-18:2)-1 Neg_006746 M-H 7.0 508.278 507.270 LPG(a-18:2) Neg_006745 M-H 6.9 508.278 507.271 LPG(a-22:5)-1 Neg_007819 M-H 7.3 558.294 557.287 LPG(a-22:5) Neg_007818 M-H 7.2 558.294 557.286 LPG(a-22:6)-1 Neg_007767 M-H 7.0 556.279 555.272 LPG(a-22:6) Neg_007766 M-H 6.9 556.279 555.272 LPI(a-16:0)-1 Neg_131295 M-H 7.0 572.295 571.288 LPI(a-16:0) Neg_008106 M-H 7.1 572.295 571.288 LPI(a-18:0)-1 Neg_008815 M-H 7.6 600.326 599.319 LPI(a-18:0) 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) Neg_008766 M-H 7.1 598.310 597.303 LPI(a-18:2)-1 Neg_008711 M-H 6.9 596.294 595.287 LPI(a-18:2) Neg_008710 M-H 6.8 596.294 595.287 LPI(a-20:3)-1 Neg_009360 M-H 7.1 622.309 621.302 LPI(a-20:3) Neg_009359 M-H 7.0 622.309 621.302 LPI(a-20:4)-1 Neg_009298 M-H 6.9 620.294 619.287 LPI(a-20:4) 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) 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) Neg_105839 M-H 7.0 497.274 496.267 LPS(a-18:0) Neg_007141 M-H 7.6 525.304 524.297 LPS(a-18:1)-1 Neg_007096 M-H 7.2 523.290 522.283 LPS(a-18:1) Neg_007095 M-H 7.1 523.290 522.283 LPS(a-18:2) Neg_114034 M-H 6.9 521.274 520.267 LPS(a-19:0) Neg_120200 M-H 7.8 539.321 538.314 LPS(a-20:3)-1 Neg_122778 M-H 7.1 547.289 546.282 LPS(a-20:3) Neg_122777 M-H 7.0 547.289 546.282 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-20:5)-1 Neg_121423 M-H 6.7 543.258 542.250 LPS(a-20:5) Neg_121422 M-H 6.6 543.258 542.251 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) 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-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-26:1) Neg_152860 M-H 8.6 635.416 634.408 LPS(a-28:1) Neg_010499 M-H 8.8 663.446 662.438 LPS(a-28:2) Neg_010440 M-H 8.5 661.431 660.424 MLCL(aaa-52:3) Neg_021251 M-H 9.7 1164.754 1163.747 MLCL(aaa-52:4) Neg_250968 M-H 9.6 1162.740 1161.732 MLCL(aaa-52:5) Neg_021214 M-H 9.4 1160.724 1159.717 MLCL(aaa-54:4) Neg_021508 M-H 9.7 1190.770 1189.763 MLCL(aaa-54:5) Neg_252929 M-H 9.6 1188.754 1187.747 MLCL(aaa-54:6) Neg_021475 M-H 9.5 1186.740 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-58:10) Neg_021905 M-H 9.5 1234.740 1233.732 PA(aa-28:1) Neg_137441 M-H 8.7 590.393 589.385 PA(aa-30:2) Neg_009197 M-H 8.8 616.408 615.401 PA(aa-32:2) Neg_156016 M-H 9.0 644.439 643.431 PA(aa-32:3) Neg_009892 M-H 8.9 642.423 641.416 PA(aa-32:4) Neg_154660 M-H 8.8 640.407 639.400 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-34:3) Neg_010681 M-H 9.1 670.455 669.447 PA(aa-34:4) Neg_164068 M-H 9.0 668.439 667.432 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 9.9 730.548 729.540 PA(aa-38:2) Neg_012250 M-H 9.7 728.534 727.526 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-32:2) Neg_011147 M-H 9.7 687.483 686.475 PE(aa-33:1) Neg_175884 M-H 10.0 703.513 702.506 PE(aa-33:2) Neg_011540 M-H 9.8 701.498 700.491 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-34:4) Neg_011834 M-H 9.6 711.483 710.476 PE(aa-34:5) Neg_177732 M-H 9.6 709.467 708.460 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-35:3) Neg_012219 M-H 9.9 727.514 726.507 PE(aa-36:0) Neg_188598 M-H 10.5 747.577 746.569 PE(aa-36:1) Neg_012673 M-H 10.3 745.560 744.553 PE(aa-36:2) Neg_012628 M-H 10.2 743.545 742.538 PE(aa-36:3) Neg_012588 M-H 10.0 741.529 740.522 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-36:7) Neg_184632 M-H 9.6 733.467 732.460 PE(aa-37:1) Neg_013024 M-H 10.4 759.576 758.568 PE(aa-37:2) Neg_012981 M-H 10.3 757.560 756.553 PE(aa-37:3) Neg_012946 M-H 10.1 755.544 754.537 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 10.3 769.560 768.553 PE(aa-38:4) Neg_013224 M-H 10.2 767.544 766.537 PE(aa-38:5) Neg_013167 M-H 10.0 765.528 764.521 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-38:8) Neg_013017 M-H 9.6 759.482 758.475 PE(aa-39:1) Neg_198747 M-H 10.6 787.610 786.602 PE(aa-39:3)-1 Neg_197879 M-H 10.4 783.581 782.573 PE(aa-39:3) Neg_013596 M-H 10.4 783.576 782.569 PE(aa-39:4) Neg_013551 M-H 10.3 781.559 780.552 PE(aa-39:5) Neg_013501 M-H 10.1 779.543 778.535 PE(aa-39:6) Neg_013444 M-H 10.0 777.529 776.521 PE(aa-39:7) Neg_013390 M-H 9.9 775.512 774.505 PE(aa-39:8) Neg_195314 M-H 9.7 773.497 772.490 PE(aa-40:1) Neg_014010 M-H 10.7 801.623 800.616 PE(aa-40:2) Neg_013982 M-H 10.6 799.608 798.600 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 10.3 793.560 792.552 PE(aa-40:6) Neg_013779 M-H 10.2 791.544 790.537 PE(aa-40:7) Neg_013730 M-H 10.0 789.527 788.520 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-42:11) Neg_014209 M-H 9.7 809.499 808.491 PE(aa-42:2) Neg_014660 M-H 10.7 827.639 826.631 PE(aa-42:4) Neg_014570 M-H 10.5 823.607 822.600 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-44:12) Neg_014832 M-H 9.8 835.513 834.506 PE(aa-44:4) Neg_015224 M-H 10.7 851.640 850.632 PE(aa-44:5) Neg_015177 M-H 10.6 849.625 848.618 PE(aa-44:7) Neg_015074 M-H 10.4 845.592 844.584 PE(ae-32:1) Neg_166592 M-H 10.2 675.518 674.511 PE(ae-34:1) Neg_175887 M-H 10.4 703.550 702.543 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 10.3 715.550 714.542 PE(ae-36:2) Neg_012276 M-H 10.4 729.565 728.558 PE(ae-36:3) Neg_012222 M-H 10.3 727.550 726.543 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 9.8 719.488 718.480 PE(ae-37:2) Neg_012632 M-H 10.5 743.582 742.574 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 10.6 757.597 756.590 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 10.3 751.550 750.543 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-39:5) Neg_013173 M-H 10.4 765.565 764.557 PE(ae-39:7) Neg_013068 M-H 10.2 761.535 760.528 PE(ae-40:2) Neg_013640 M-H 10.8 785.627 784.620 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 10.3 775.550 774.543 PE(ae-40:8) Neg_013342 M-H 10.1 773.534 772.526 PE(ae-40:9) Neg_013304 M-H 10.0 771.519 770.511 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 9.0 718.476 717.469 PG(aa-34:0) Neg_012812 M-H 9.5 750.539 749.532 PG(aa-34:1)-1 Neg_012765 M-H 9.3 748.524 747.516 PG(aa-34:1) Neg_012764 M-H 9.2 748.523 747.516 PG(aa-34:2) Neg_012702 M-H 9.1 746.507 745.500 PG(aa-34:3)-1 Neg_012652 M-H 9.0 744.492 743.485 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-34:5) Neg_186701 M-H 8.7 740.463 739.456 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)-1 Neg_013366 M-H 9.5 774.539 773.531 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 9.0 770.508 769.501 PG(aa-36:5)-1 Neg_013250 M-H 9.0 768.493 767.486 PG(aa-36:5) Neg_013249 M-H 8.9 768.493 767.486 PG(aa-36:6)-1 Neg_013201 M-H 8.7 766.479 765.472 PG(aa-36:6) Neg_013200 M-H 8.8 766.478 765.471 PG(aa-38:2) Neg_014024 M-H 9.5 802.570 801.563 PG(aa-38:4) Neg_013958 M-H 9.4 798.539 797.532 PG(aa-38:5) Neg_201117 M-H 9.1 796.523 795.516 PG(aa-38:6)-1 Neg_013857 M-H 9.1 794.508 793.501 PG(aa-38:6) Neg_013856 M-H 9.0 794.508 793.501 PG(aa-38:7)-1 Neg_200060 M-H 9.0 792.492 791.485 PG(aa-38:7) Neg_013808 M-H 8.9 792.493 791.485 PG(aa-38:8) Neg_013750 M-H 8.8 790.477 789.470 PG(aa-40:3) Neg_208180 M-H 9.5 828.586 827.579 PG(aa-40:5) Neg_014583 M-H 9.2 824.554 823.547 PG(aa-40:6) Neg_206939 M-H 9.1 822.538 821.530 PG(aa-40:7) Neg_014476 M-H 9.1 820.524 819.516 PG(aa-40:8) Neg_014421 M-H 9.0 818.508 817.500 PG(aa-40:9) Neg_014366 M-H 8.9 816.493 815.485 PG(aa-42:10) Neg_015005 M-H 9.0 842.508 841.501 PG(aa-42:11) Neg_014956 M-H 8.9 840.493 839.485 PG(aa-42:8) Neg_015094 M-H 9.1 846.537 845.530 PG(aa-42:9) Neg_015037 M-H 9.0 844.522 843.515 PG(aa-44:11) Neg_216085 M-H 9.0 868.522 867.515 PG(aa-44:12) Neg_015547 M-H 9.0 866.508 865.500 Phytocer(22:0) Neg_011498 M+Acid 10.5 639.615 698.629 Phytocer(22:1) Neg_011451 M+Acid 10.6 637.598 696.612 Phytocer(23:0) Neg_011878 M+Acid 10.6 653.630 712.644 Phytocer(24:0) Neg_012228 M+Acid 10.7 667.645 726.659 Phytocer(24:1) Neg_012193 M+Acid 10.5 665.630 724.643 Phytocer(24:2) Neg_012134 M+Acid 10.6 663.614 722.628 Phytocer(25:0) Neg_012598 M+Acid 10.8 681.661 740.675 Phytocer(25:1) Neg_012553 M+Acid 10.8 679.644 738.658 Phytocer(25:2) Neg_012492 M+Acid 10.6 677.629 736.643 Phytocer(26:1)-1 Neg_012909 M+Acid 10.8 693.661 752.675 Phytocer(26:1) Neg_012908 M+Acid 10.7 693.661 752.675 Phytocer(26:2) Neg_012862 M+Acid 10.7 691.645 750.659 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 9.0 832.508 831.500 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 9.0 856.508 855.501 PI(aa-38:1)-1 Neg_220207 M-H 9.8 892.600 891.593 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-40:3) Neg_016810 M-H 9.7 916.602 915.595 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-40:7) Neg_016601 M-H 9.2 908.539 907.531 PI(aa-40:8) Neg_016565 M-H 9.0 906.523 905.515 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-34:1) Neg_013066 M-H 9.3 761.518 760.510 PS(aa-34:2)-1 Neg_013020 M-H 9.2 759.504 758.496 PS(aa-34:2) Neg_013019 M-H 9.1 759.504 758.497 PS(aa-34:3) Neg_191338 M-H 9.0 757.488 756.481 PS(aa-36:0) Neg_013781 M-H 9.8 791.564 790.557 PS(aa-36:1) Neg_013731 M-H 9.5 789.550 788.543 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)-1 Neg_197390 M-H 9.0 781.488 780.480 PS(aa-36:5) Neg_013544 M-H 9.1 781.488 780.480 PS(aa-36:6) Neg_196876 M-H 8.9 779.473 778.466 PS(aa-38:0) Neg_014447 M-H 10.1 819.596 818.589 PS(aa-38:1) Neg_014401 M-H 9.9 817.580 816.573 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 9.7 813.550 812.543 PS(aa-38:3)-3 Neg_014309 M-H 9.5 813.550 812.543 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 9.2 809.517 808.510 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 9.0 805.488 804.480 PS(aa-40:0) Neg_015121 M-H 10.3 847.628 846.620 PS(aa-40:1) Neg_015076 M-H 10.2 845.612 844.605 PS(aa-40:2) Neg_015029 M-H 10.0 843.596 842.589 PS(aa-40:3)-1 Neg_014985 M-H 9.9 841.580 840.573 PS(aa-40:3) Neg_014984 M-H 9.8 841.580 840.573 PS(aa-40:4)-1 Neg_014935 M-H 9.8 839.565 838.558 PS(aa-40:4) Neg_014934 M-H 9.6 839.565 838.558 PS(aa-40:5)-1 Neg_014882 M-H 9.7 837.550 836.543 PS(aa-40:5) Neg_014881 M-H 9.5 837.550 836.542 PS(aa-40:6)-1 Neg_014835 M-H 9.6 835.534 834.527 PS(aa-40:6) 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) Neg_209139 M-H 9.1 833.518 832.510 PS(aa-40:8)-1 Neg_208702 M-H 9.0 831.504 830.496 PS(aa-40:8) Neg_014736 M-H 9.2 831.503 830.496 PS(aa-40:9)-1 Neg_208270 M-H 8.9 829.487 828.480 PS(aa-40:9) Neg_014691 M-H 9.1 829.486 828.479 PS(aa-42:0) Neg_015778 M-H 10.5 875.658 874.651 PS(aa-42:1) Neg_015733 M-H 10.4 873.644 872.636 PS(aa-42:10) Neg_213589 M-H 9.0 855.503 854.496 PS(aa-42:11) Neg_015252 M-H 8.9 853.488 852.480 PS(aa-42:2)-1 Neg_015669 M-H 10.2 871.627 870.620 PS(aa-42:2) Neg_015668 M-H 10.0 871.626 870.619 PS(aa-42:3) Neg_015611 M-H 10.2 869.613 868.606 PS(aa-42:4) Neg_015571 M-H 10.0 867.595 866.588 PS(aa-42:5) Neg_015532 M-H 9.9 865.580 864.573 PS(aa-42:6)-1 Neg_215117 M-H 9.6 863.566 862.558 PS(aa-42:6) 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 9.3 857.517 856.510 PS(aa-44:0) Neg_016503 M-H 10.7 903.690 902.683 PS(aa-44:1) Neg_016451 M-H 10.5 901.674 900.667 PS(aa-44:2) Neg_221293 M-H 10.4 899.660 898.653 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) Neg_016249 M-H 10.0 893.612 892.604 PS(aa-44:6)-1 Neg_016196 M-H 10.0 891.596 890.589 PS(aa-44:6) 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/16:1) Neg_013443 M-H 8.9 777.503 776.495 Sulfatide(Hex/18:0) Neg_014165 M-H 9.1 807.551 806.544 Sulfatide(Hex/20:0) Neg_014842 M-H 9.5 835.582 834.574 Sulfatide(Hex/21:0) Neg_015174 M-H 9.6 849.597 848.590 Sulfatide(Hex/22:0) Neg_015491 M-H 9.7 863.614 862.607 Sulfatide(Hex/22:1) Neg_015446 M-H 9.5 861.597 860.590 Sulfatide(Hex/23:2) Neg_216841 M-H 9.4 873.597 872.590 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/25:2) Neg_016449 M-H 9.7 901.627 900.620 METABOLITES_END #END