#METABOLOMICS WORKBENCH LuizLeiria83_20190626_130921 DATATRACK_ID:1751 STUDY_ID:ST001207 ANALYSIS_ID:AN002009 PROJECT_ID:PR000812 VERSION 1 CREATED_ON July 1, 2019, 12:15 pm #PROJECT PR:PROJECT_TITLE 12-LOX metabolites in cold adaptation PR:PROJECT_SUMMARY The goal of this project is to understand the role of the enzyme 12-lipoxygenase PR:PROJECT_SUMMARY in the adaptive thermogenesis. We found this enzyme is activated by cold PR:PROJECT_SUMMARY stimulation, then producing lipid metabolites in adipose tissue and releasing PR:PROJECT_SUMMARY those into the circulation to regulate fuel utilisation and thermogenic pathways PR:PROJECT_SUMMARY required for the cold adaptation. PR:INSTITUTE Joslin Diabetes Center - Harvard medical School PR:LABORATORY Yu-Hua Tseng lab PR:LAST_NAME Leiria PR:FIRST_NAME Luiz PR:ADDRESS One Joslin Place PR:EMAIL luiz.leiria@joslin.harvard.edu PR:PHONE 617-309-1967 #STUDY ST:STUDY_TITLE Lipidomics in the serum of cold exposed mice treated with 12-LOX inhibitor ST:STUDY_TITLE LOXBlock-1 ST:STUDY_SUMMARY We aimed to investigate whether the cold-induced release of 12-LOX products into ST:STUDY_SUMMARY the circulation were dependent on 12-LOX activation. We pre-treated C57BL6/J ST:STUDY_SUMMARY mice with the pharmacological inhibitor LOXBlock-1 or its vehicle (DMSO), and ST:STUDY_SUMMARY after 15 minutes we placed them under cold temperature (5C) for 4 hours. A ST:STUDY_SUMMARY control group was injected with DMSO and kept at room temperature for the same 4 ST:STUDY_SUMMARY hours. After this period of time we, collected the blood, and obtained the serum ST:STUDY_SUMMARY fraction that was immediately frozen and submitted for untargeted lipidomics. ST:INSTITUTE Joslin Diabetes Center- Harvar Medical School ST:LAST_NAME Leiria ST:FIRST_NAME Luiz ST:ADDRESS One Joslin Place, Boston-MA, 02215 ST:EMAIL luiz.leiria@joslin.harvard.edu ST:PHONE 617-309-1967 ST:NUM_GROUPS 3 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL6/J SU:AGE_OR_AGE_RANGE 12 weeks old SU:WEIGHT_OR_WEIGHT_RANGE 25-30 g SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER Jax Laboratories SU:ANIMAL_HOUSING Conventional SU:ANIMAL_LIGHT_CYCLE regular 12h light /dark cycles SU:ANIMAL_FEED ad libitum normal chow diet SU:ANIMAL_WATER ad libitum #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - C1 Temperature:5C | Treatment:DMSO SUBJECT_SAMPLE_FACTORS - C2 Temperature:5C | Treatment:DMSO SUBJECT_SAMPLE_FACTORS - C3 Temperature:5C | Treatment:DMSO SUBJECT_SAMPLE_FACTORS - C4 Temperature:5C | Treatment:DMSO SUBJECT_SAMPLE_FACTORS - C5 Temperature:5C | Treatment:DMSO SUBJECT_SAMPLE_FACTORS - C6 Temperature:5C | Treatment:DMSO SUBJECT_SAMPLE_FACTORS - C7 Temperature:5C | Treatment:DMSO SUBJECT_SAMPLE_FACTORS - LB1 Temperature:5C | Treatment:LoxBlock-1 SUBJECT_SAMPLE_FACTORS - LB2 Temperature:5C | Treatment:LoxBlock-1 SUBJECT_SAMPLE_FACTORS - LB3 Temperature:5C | Treatment:LoxBlock-1 SUBJECT_SAMPLE_FACTORS - LB4 Temperature:5C | Treatment:LoxBlock-1 SUBJECT_SAMPLE_FACTORS - LB5 Temperature:5C | Treatment:LoxBlock-1 SUBJECT_SAMPLE_FACTORS - T1 Temperature:22C | Treatment:DMSO SUBJECT_SAMPLE_FACTORS - T2 Temperature:22C | Treatment:DMSO SUBJECT_SAMPLE_FACTORS - T3 Temperature:22C | Treatment:DMSO SUBJECT_SAMPLE_FACTORS - T4 Temperature:22C | Treatment:DMSO SUBJECT_SAMPLE_FACTORS - T5 Temperature:22C | Treatment:DMSO SUBJECT_SAMPLE_FACTORS - T6 Temperature:22C | Treatment:DMSO SUBJECT_SAMPLE_FACTORS - T7 Temperature:22C | Treatment:DMSO #COLLECTION CO:COLLECTION_SUMMARY Mice were anaesthetised with Avertine and blood was collected through cardiac CO:COLLECTION_SUMMARY puncture. Samples were let in room temperature for 30 minutes, and then CO:COLLECTION_SUMMARY centrifuged for 3 minutes at 14,000RPM. Serum fas collected and frozen at -20C CO:COLLECTION_SUMMARY for further lipidomics analysis. CO:SAMPLE_TYPE Blood (serum) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Mice were injected i.p. 15 minutes before the cold exposure, with 50ul of DMSO TR:TREATMENT_SUMMARY (vehicle) or LOXBlock-1. Then, the animas were placed in 5C or 22C temperature TR:TREATMENT_SUMMARY for 4 hours, until the samples were collected. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Aliquots of 100 µL serum were taken and a mixture of deuterium-labeled internal SP:SAMPLEPREP_SUMMARY standards was added to each aliquot, followed by 3x volume of sample of cold SP:SAMPLEPREP_SUMMARY methanol (MeOH). Samples were vortexed for 5 minutes and stored at −20 °C SP:SAMPLEPREP_SUMMARY overnight. Cold samples were centrifuged at 14,000g for 10 minutes, and the SP:SAMPLEPREP_SUMMARY supernatant was then transferred to a new tube and 3 mL of acidified H2O (pH SP:SAMPLEPREP_SUMMARY 3.5) was added to each sample prior to C18 SPE. The methyl formate fractions SP:SAMPLEPREP_SUMMARY were collected, dried under nitrogen, and reconstituted in 50 µL MeOH:H2O (1:1, SP:SAMPLEPREP_SUMMARY by vol). Samples were transferred to 0.5 mL tubes and centrifuged at 20,000g at SP:SAMPLEPREP_SUMMARY 4 °C for 10 minutes. (35ul) of supernatant was transferred to LC–MS/MS vials SP:SAMPLEPREP_SUMMARY for analysis using the BERG LC–MS/MS mediator lipidomics platform. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE UHPLC CH:INSTRUMENT_NAME Ekspert MicroLC 200 system CH:COLUMN_NAME Synergiâ„¢ Fusion-RP capillary C18 column (150 × 0.5 mm, 4 µm; Phenomenex Inc., Torrance, CA, USA) CH:COLUMN_NAME Inc., Torrance, CA, USA) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS MS spectra were acquired in high-resolution mode (>30,000) using a 100-ms MS:MS_COMMENTS accumulation time per spectrum. Full-scan MS/MS was acquired in high sensitivity MS:MS_COMMENTS mode, with an accumulation time optimized per cycle. Collision energy was set MS:MS_COMMENTS using rolling collision energy with a spread of 15V. The identity of a component MS:MS_COMMENTS was confirmed using PeakView® software (SCIEX), and quantification was MS:MS_COMMENTS performed using MultiQuant™ software (SCIEX). C18SPE cartridges were purchased MS:MS_COMMENTS from Biotage. All solvents were of HPLC or LC-MS/MS grade and were acquired from MS:MS_COMMENTS Sigma-Aldrich, Fisher Scientific, or VWR International. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples C1 C2 C3 C4 C5 C6 C7 LB1 LB2 LB3 LB4 LB5 T1 T2 T3 T4 T5 T6 T7 Factors Temperature:5C | Treatment:DMSO Temperature:5C | Treatment:DMSO Temperature:5C | Treatment:DMSO Temperature:5C | Treatment:DMSO Temperature:5C | Treatment:DMSO Temperature:5C | Treatment:DMSO Temperature:5C | Treatment:DMSO Temperature:5C | Treatment:LoxBlock-1 Temperature:5C | Treatment:LoxBlock-1 Temperature:5C | Treatment:LoxBlock-1 Temperature:5C | Treatment:LoxBlock-1 Temperature:5C | Treatment:LoxBlock-1 Temperature:22C | Treatment:DMSO Temperature:22C | Treatment:DMSO Temperature:22C | Treatment:DMSO Temperature:22C | Treatment:DMSO Temperature:22C | Treatment:DMSO Temperature:22C | Treatment:DMSO Temperature:22C | Treatment:DMSO IS-d4-9,10-diHOME 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Tetranor-12-HETE 0802713489 059811895 1009952769 0535648499 2133115076 3527683869 1882175559 1175776112 0355279767 0534818581 0938345178 0468665605 0426341444 0275019548 0431614551 0122026628 0123810219 0061258644 019599534 9-oxoODE 6917152974 5823286361 30151928 090121868 5207216306 2239013109 0339644833 3523607665 2780477589 0993773731 4851963333 0666617045 0702371465 0406510441 5397749563 0568517511 3542499819 0308671069 0494938084 13-oxoODE 3225598589 2344277887 1192018403 3577727305 2000032285 1064723429 3114242743 153963318 1055871048 4300768881 189975537 2401482217 2541194983 1357381012 1452432916 2048121953 1371363338 1233202156 1537472273 9-HOTrE 1797859798 1634966152 2622631407 0693113046 5725040044 2926008713 0638363863 2169193066 2280647588 1590333611 4205562623 2261540528 2469875346 1477922795 1290666649 1589061519 2372214316 0832368467 1391097024 13-HOTrE/13-HOTrE(r) 381584139 3712309308 1704349937 0432498202 2314095618 1029235198 030067664 162506427 1258170462 043040088 2281493455 0310203834 0222011444 0124813518 207613828 0232238859 1955599571 0105611013 0191542493 9-HODE 4338205773 6822212592 6847041982 6536072799 1347460554 1079920543 7701648964 7410728879 4393753186 5546124556 1058028557 5894370724 3422293933 2354544703 2273294598 2579297863 3371732933 1550991635 2269018078 13-HODE 5780830225 3659970052 2631623564 112705954 5594025936 4132959911 16084857 2736020428 1943796791 2017507113 4444797509 1940378346 1635284154 104807397 2439203542 1071026985 2711574768 7320495665 1073103357 9(10)-EpOME 0 0 0 0 4766141447 4130818917 1881153031 0 0 0 0 0009118094 2041723881 1069274332 0 0 0 7853609226 1351930408 12(13)-EpOME 1179476208 1757012392 1922662386 1932736573 3147024354 4533035235 2642671167 2011655162 1126072149 10799769 2479901727 1782996725 1119159562 7219684992 6165124509 5681226735 5697115571 2423800088 3935265096 9,10-diHOME 5857589645 1277620457 1863565385 1324026629 4077249356 9639767475 1836240774 1108576975 9132332241 1219696133 1341133965 1204026238 846453051 6101527066 1760240179 4759831255 3037906473 2580909798 8479511176 12,13-diHOME 5791594337 1432305433 1902183394 2182997812 373722426 6079317247 1278679232 136737318 9185088922 1651951111 1434100713 1227931106 9491252673 6868385625 1782499588 4635950448 3794705551 2468441237 1006095066 15-deoxy-delta12,14-PGJ2 0 000949441 0004833262 0 0 000551717 0 0 0 0 0 0006141078 0003244209 0004235466 0 0 0002062945 0 0 15-oxoETE 2070818221 1364949805 0946215498 0465443313 1483090667 0437196287 0118247526 1456708949 0442413472 0363443169 0679022782 0123858851 0312900887 0170622755 1016451489 0242435924 0634065759 0081782751 0140969039 18-HEPE 0048930708 0058276034 006470139 0087178275 0236842985 0172552278 0271620773 0028656919 0017471088 0098121808 0110826638 0035606454 0033949133 0017840917 0074939958 0018811918 0016430833 0014614339 0033431405 15-HEPE 0156869926 0062557825 0143760464 0231725148 0332592961 0303081566 0143125915 0095197571 0071590735 0073741298 0118503202 0049057526 0123484134 0132301813 012647545 0028730616 0044658616 0012865001 0016409667 12-HEPE 1458515778 2771990204 5253008833 7465081613 8044404008 4499392635 3382742342 301244144 1982696559 1226660213 3687213114 3072817286 3640594936 5080381066 40447169 1371028173 2791634845 4054169171 4299858029 5-HEPE 0350833695 0452109131 0691541176 0461001544 1270949501 0387456802 0360777775 0726853727 0258243592 0371557729 0511404089 0234566584 035437697 0334181557 0319499835 0267376457 0140724228 0073714547 0205633375 11-HEPE 0046417171 018129979 0246594142 0409403948 0503229484 0310518029 0397801142 0262365412 0177271774 0146346657 0157096373 0164690201 0147374509 0206111386 0300912649 0065008689 0104886798 002266401 0029856961 8-HEPE 0218074582 0100396899 018854604 0250177729 0444879676 0350390093 0241666581 0217249784 0088558155 0168697965 0151332997 0097608524 0154130632 0126612655 0092680982 0072154109 0046948665 002179945 0014998109 9-HEPE 1324791836 1598211375 2878184547 5496136014 5516589087 3811144843 219613616 1984098696 1265781453 0761449782 2041747635 1743570778 2265599845 3269538834 2530721288 1177609373 028259005 0239076113 0283181476 12-oxoETE 0466371394 0382830673 0 0 0276207406 0686828104 0095211196 0309566328 0073403633 0127062971 0085727228 0061646372 0111754405 025615479 0445257247 0178480881 0184452283 005807382 0135150209 14(15)-EpETE 0740331628 0247535254 0213471816 0160953569 0308801607 0081366069 0052431792 0298971273 0158899398 0148972095 0196447524 0086839375 0194916337 0149767399 0174759425 0135711213 0266867153 0079033637 0254667909 17(18)-EpETE 0233932555 0190091606 0184995112 0107450528 0403568085 0151611395 007410555 0095200938 0063721088 0137592448 0072064328 0080932343 0195560444 0182566951 0235974446 0111849209 0163330982 0068592202 0126423562 5-oxoETE 0796822056 0196777733 0008773997 0017238199 0043877953 0026074849 0 0050172988 0034152145 000470711 0009343051 0016272756 00051103 0030021954 0186728943 0013948201 0093002281 0009889582 0043847206 14(15)-EET 0428316315 0266245153 0206219387 0272088746 0570383114 0166494196 0103991356 0207393113 0135202173 0198418945 02932752 0128696108 0230268978 0164761927 0209172776 0142094882 0154342926 0129089293 0097183774 11(12)-EET 0039930696 0019069661 0 0007061356 0004157089 0005847323 0014830719 0024568782 0001422964 0 0009214309 0007183033 0021247601 0012358194 0022479648 0000622088 0015789232 0002299278 0007251132 8(9)-EET 0 0004821905 0 0018396509 0 0 0006183655 0 0 0012039384 0 000329249 0 0004606569 0 0 0004542167 0 0 5(6)-EET 0040021389 0 0006813205 0004812299 0 0 0 0009534803 0011211653 0 0011123984 0 0 000920165 0008152942 0004573999 0 0002297921 0 15-HETE 0041679387 0075360108 0081235782 0371423628 0212480158 02498418 0201089596 0213032257 0127168275 0109756969 0103147523 0169003675 0148045332 0123335797 0188384102 0219903807 0051805451 0063894213 0053482268 12-HETE 4094210575 1214770164 1197841872 3243877313 1779602191 9831980604 6502385215 1056561651 4940509916 5363004815 1382029265 1238719189 5509978337 1405353144 1880382395 995108846 1725974928 5099549802 1555075045 5-HETE 0304061942 0427682152 06930956 0927078627 3003539205 1026723522 0877013878 1188260866 0606450109 0990123392 1459362188 0759341782 0801347687 0824502348 041383409 236897929 0381281723 0272426238 0670216249 20-HETE 0096048081 0042755861 0074431367 0029436388 0123433515 0407344494 0362989127 0024627763 0010242356 0021068511 0 0036532253 0024060405 001592306 0021357945 0006241251 0012312694 0004412976 0012658347 11-HETE 042018571 0660275568 086310601 4017106804 1437186939 1239959905 176001699 1163740003 0437195639 0616215333 1029280174 083199084 0534730869 1130658075 133827149 1570018908 0348182993 047443674 0276100869 16-HETE 0040021382 00192926 00009637 0 010133267 0419618039 0478315747 0036328477 0014888521 0007548617 0048738982 0015971582 0651484288 002223153 0020521169 0006691426 0012294755 0 0018000399 17-HETE 0214791841 0055896615 0107862929 0035359823 0162399988 0611629245 05685003 0052799507 0041881634 0045663621 009056712 0058847524 0018543362 0058610264 0015552564 0022932854 0015057401 001551429 0008590206 18-HETE 0077725003 0104773318 0149779861 0132681078 0360101919 1406482167 2102777154 0192989923 0060461622 0111997797 0077915869 0130266857 0078011483 0068531809 0094886993 0039172292 0051794763 0036122661 0059241836 9-HETE 0706063485 3192366371 2505680429 8661801554 3633172422 1943236586 1390455577 212167588 1121056222 1190083225 3303413395 2837886985 129590803 3548429565 4171499953 2852083348 0452003015 110252539 032111085 8-HETE 0197253941 0293469884 0304680072 0602940394 0637799789 0669889493 035577375 0524998454 0165283975 0266229406 0379264804 0260747987 0231037553 0297166116 042149947 024674708 0041658548 0104612802 0112650047 5-HETrE 0128890517 0031448612 0121618728 013740633 0063561894 0021629403 0134560599 0192635875 0061893769 005610256 003100511 0090497794 0030326717 0097644083 0079716459 0026998794 0026507754 0013845521 0039504954 8-HETrE 0321441789 0166324922 0356266008 0448888708 0462831546 0464698934 0350242948 0378186477 009096723 0149621928 0250659832 0213995023 0116964903 0172882871 0145001541 0131314454 0065359434 0047665787 006853655 15-HETrE 8600111039 1370936629 1967887068 1784947396 247026872 3481118461 2091094285 2285166613 1273207779 1640187113 2106358074 1874559337 1475116689 2770926722 2775447394 1298146981 1724529759 1129939978 1044199319 2,3-dinor-11beta-PGF2a 0018639494 0009214125 0 0 0 0 0011406029 0 0 0000894931 0 0011519764 0 0 0006862662 0 0008614038 0 0 tetranor-PGFM 0 0 0 0008622867 0009179541 0 0 0009935155 0 0 0 0 0 0 0 0 0 0 0 12-oxoLTB4 0 0081250942 0017196537 0099067877 0154171772 001003015 0019772153 0058041064 0005281561 0033857085 0106483559 000971417 0007472233 0019275665 0074390792 0021292944 0007947134 0028749524 0030971101 PGA2/PGJ2 0 0015259372 001293021 0008619001 0017947799 0 0019060565 0046762214 0020718854 002861845 0024381326 0022393472 0018651725 0023911819 0009087423 0018759763 0 0005764443 0017564508 PGB2 0018641046 0012556589 0011826911 0016617292 0008766451 0005516076 0 0038883328 0008058904 0011047418 0019448891 0002346762 0007132365 0008430373 0010680312 0006058324 0007564533 0 0 15-deoxy-delta12,14-PGD2 001864076 0 0013901528 0008350732 0008767181 0009963471 0007091177 0 001637286 0014574788 0023357506 0011540956 0006491127 0 0 000631042 0034429809 0003984453 0008530099 13,14-dihydro-15-keto PGA2 0 0029824092 0042089929 0031880803 0003166491 0031150002 0059878029 0127976155 007358066 0027193543 0020331457 0022166453 0004835531 0006087895 0008236006 0039295986 0033533296 002312817 002308584 Bicyclo PGE2 0 0001958781 0012358915 002885464 004219591 0010748235 0047780246 0028015759 0 0012832301 003103879 0014939968 0003661391 0007626157 0008220913 0011363773 0014585695 0017860445 0021076505 delta12-PGJ2 0 0010952681 001293021 0008616969 0020198535 0013298465 0018549755 0064922239 0018576484 0038256699 0024192759 0026725721 0031838689 0026901824 0010682254 0047947852 0 0014873848 0017567407 LTB4 011560014 0467709459 079555836 0997171806 1983351304 0405233821 0544253616 1567533524 0132923573 0745935748 1168270388 0469761416 0792406387 0544737924 0268072977 2453202789 0775021387 0273811721 036794768 5,6-diHETE 0059655754 0052654706 0083167284 0020306879 0233727976 0106588001 016341004 0290574558 0044854238 0150454857 0133355952 0080200273 0086102035 0140569218 0084981102 0267533786 0063286819 000910812 0049118693 5,15-diHETE 0054832373 0011552631 0032431276 0 0 0 0024675695 0018257284 0016392787 0020807338 0026263263 0 0 0005462156 0 0007761859 0010974134 0 0004134647 Hepoxilin A3 0 0219287817 0330806207 018994097 0342909102 1588104939 0 0113522356 0310863677 0 008139235 0160373991 0331758121 0208711286 021335644 013068605 0186030155 0071365794 0043492996 14,15-diHETE 0 0059427284 001130019 0018160317 0016165673 0034443706 0024308679 006680602 0009492421 0036980624 0005737725 0007656352 0010980927 0022722705 0013303552 0009883612 0019078581 0009537092 000862529 17,18-diHETE 0475698772 1052187346 1365717481 2010747299 5752719967 3456648109 8941004231 101850688 0904939808 1031879278 1130648831 2341323591 0767243318 0698077916 0707994127 0470363058 0481747998 0195500413 0404979922 PGA1 001864076 0 000549521 0026424582 0010520617 0011434826 000632656 0012041292 0008058223 0005146838 0039001126 0 0001906656 0003529257 0012840614 000759493 0019583982 0 0008951701 5,6-diHETrE 0052195584 0144051846 0178000447 0257784979 0321503768 0447850206 0738053353 0080722131 0110144585 011935098 0090033482 0105667251 0297434487 0254720869 0159854099 0119154738 0155743436 0078404547 0120502767 8,9-diHETrE 0104058638 0202775165 0131420623 0383960408 0882064548 4706829724 9080261203 0164983681 0167219865 0281044853 0270033433 0293788582 0598857272 0376923087 0212878243 0184328226 0329605252 0048322112 0105658931 11,12-diHETrE 0957025507 0602274486 1142642198 0999141883 7692658366 3606503278 5439997772 0232157335 0288912567 0434060851 074050896 1375581067 0659765727 0480265643 03376861 0159878347 0213573518 0140382816 0329948864 14,15-diHETrE 046432343 0698302166 0995792482 0511041924 6279346379 4466832604 8688569349 039173351 0377218463 0409382436 0679340953 1100009556 0624266948 0344675353 0282585923 0110217118 0266954862 0202862531 0321763191 2,3-dinor TxB2 0 0 0004230305 0 0 0010759171 0007105586 0011885862 0009696203 0 0021075633 0 0005404683 0 0 0 0008614038 0 0 17-HDHA 0008241555 012436666 0010005427 0126157499 0114945262 0120423041 0163140176 0115753236 003991702 0018833772 011148513 0004946443 0036423907 0071787295 0048484946 0010678525 0010487816 0011145862 0026322701 14-HDHA 2797838585 4311490066 8862598046 9563580016 1615636433 1163787856 9531970699 4666949173 4104310295 2580548395 4872617562 4783365149 1023346989 8376870461 7339772023 23361918 0471773062 0573903449 072725716 7-HDHA 0 0042175281 0068049577 0038431822 015042224 0055928149 0084618788 0030017736 0025381969 0053196997 0068189374 0028086106 0068314405 0058374065 0009019071 0076167096 00376066 0009355122 0037885519 4-HDHA 0168748515 0206851509 0268161198 0391996617 0472093708 0204974116 0176626112 0225945362 0179285464 0245504909 0120956801 0075405222 0096131656 0206665851 0181678989 0137955855 0126517372 0065505682 0058274967 8-HDHA 0182477462 0432525017 0697060182 0867316772 1312264839 0972908426 0340715576 0666396161 0411648769 0175950329 0273591586 0324538402 0313580784 0688964696 0646379464 0222327975 0082361677 0050476829 0094952663 10-HDHA 0442731754 1957375601 3115406617 2476661828 3642468589 409679987 3335368742 1971024677 119994337 1038087252 1857141298 136473784 3573703979 2489489072 0904583668 0685690524 0344630151 022393673 0410022316 11-HDHA 0284474203 0410814459 0738058607 0792210579 1273122689 1199517838 1196981994 0577621252 0308261588 0240859499 0575198101 0427348161 0840468419 0631581862 0610864651 0247404489 0113069409 0060750228 0065988218 13-HDHA 0261790868 0176046254 0302335065 0247727072 052128193 0425934322 0413426087 0348629233 022129576 016012279 0173572783 0147030823 0269498511 0099574472 0369392495 013010916 0103084319 0035115889 0076056697 16-HDHA 0004162742 0084703618 0137557532 0142072994 0161800853 0130589141 0239157935 0118483581 0116818818 0192017785 0098494424 0029634785 0075730464 0113667185 0142694591 0040367539 0071687951 0018173574 0048895473 20-HDHA 0099954565 0028733797 0174644475 0125426565 0266923909 0267358541 0417457678 0041533013 009650308 0087654803 0057065165 0042493502 0072384744 0113311094 0094853021 0046800503 0056317361 0016164488 0039554768 19(20)-EpDPE 0164068479 0191872696 0504329287 0446181124 0737942359 0638104216 0260006385 0688106923 0383418498 0408231337 0420818475 0285523728 0393002278 0582029491 0619526306 0391209577 0504690049 0228657677 0316109147 16(17)-EpDPE 0753573873 0353765326 0498193415 0361993027 081056839 0439766108 0222530137 0394744447 0247255781 0389370463 0324297501 0274692888 0516243913 0571138463 058768651 0252218213 0279670989 0167937883 0372688606 PGD3/PGE3 0 0002095858 0003971882 0003974389 0011322093 0020687811 0003389082 0011603997 0 000728836 0022702742 0002980512 0006303221 0003521498 0006863919 0007357415 0 0008191894 0 15-keto-PGE2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PGK2 0 0 0 0 0 0 0 0 0 0 001135193 0011519638 0 0003529257 0 0 0 0006675559 0 13,14-dihydro-15-keto PGE2 0071520348 0036468575 0084430829 0059522898 0160869324 0037181517 0044405907 0201407127 0038298848 0073733393 0089753642 0090746239 0043872009 0009408117 0006435868 0092805255 0027126566 0026769735 0142155107 13,14-dihydro-15-keto PGD2 0 0017729016 0022184415 0032168204 0036841272 0014034434 0048350094 0040658841 0007692758 0053982636 0027070391 0035443796 0015293156 002886442 0017546466 0049092552 0009401272 0012012745 0003182718 15-keto-PGF2a 0058132325 0 0 0008602455 0009179541 0018482366 0004316337 0011858723 0013428046 0007288369 0 000614107 0009885857 0003529551 0 0005353615 0010337003 0 0 PGE2/PGD2 0063897447 0018988048 0020839023 0063002615 024638353 0015879933 0071577527 0092471728 0023537234 0014034936 0009717627 0025312753 0037308527 0022186404 0038333047 0256425662 0026528051 0009974475 0008529543 PGD2 0054671984 0065896786 0026761235 0016893113 011945731 0074536594 0013076543 0018072326 0046251642 0024120197 0030515926 0061464507 0038768402 0041358229 0007772338 0049226195 0016178627 002158917 0021945946 LXA4 0 0 0016033292 0003785595 0027124213 0020439735 0023518811 0040161492 0009809109 0017502206 0 0029047219 0006865091 0004235466 0006854827 0006295578 0 0 0009033289 LXB4 0 0011058095 0 0009154104 0 0 0 0 0 0013464291 0 0003538897 000548596 0001758086 0 0 0 0 0 PGF2a 0035763425 0023697532 001886382 0036343254 0064217948 0033809707 0021846127 006866509 00173521 0024319803 0102913828 0043315921 0040265028 0036986747 0052620679 0138485378 0008026941 0019924838 006544061 8-iso PGF2a 0 0009215825 0 00065262 0004502725 0019242302 0005180187 0033713373 0008057277 0001536991 0019448808 0031498822 0009963169 0003653497 0059607503 0 0009074499 0010962179 0051211516 5-iPF2a-VI 0 0008012522 0010989963 000862279 0034048501 0005242176 0015272848 0062308717 0 0017580136 0047989457 0017156673 0032323008 0017603424 0004272691 0029000671 0001468901 0031242028 0009031786 PGE1/PGD1 000595014 0013591194 0007894881 0061208645 0073324711 0015430944 0029872141 0009928647 001653647 0001577022 0009713646 0024029202 0017580498 0014627418 0035076067 000734849 0010331445 0001696897 0018064462 11-beta-PGF2a/PGF2b 0 0012662367 0001120977 0006526182 0006458465 0020583974 0005180282 0033704748 0008059088 0002200677 0017979035 0030696713 0011504491 0006626846 006117086 0 0009070519 0013488638 0050350959 13,14-dihydro-15-keto PGF2a 0 0009215858 0008159119 0008283369 0027088755 0011510388 0041795597 0058540992 0009809021 001428152 0021555572 0028858583 002304804 0015758384 00145625 0052456275 0 0003815165 0034617124 Maresin1 0 0 0005495217 0006526711 0013539964 0 0007090697 0 0 0 0 0 0 0 0 0 0 0 000903344 PD1 0018641071 0019997987 0020583104 0074557743 0021714107 0017111838 0023315941 001238328 0017864872 0010293353 0026422476 0012747718 0051224854 0022473261 0052507031 0022404097 0010336144 0008172507 0018711977 19,20-diHDPA 0112206668 0790605031 0821160881 1130777466 1621388315 767149036 3252676671 0577654032 0244605718 0469793107 0531327098 0566546403 0675128465 0417716034 0258148531 0398506925 0469683092 0328917033 032342881 20-carboxy LTB4 0 0021569764 0 0023065136 0010384452 0022876487 0 0 0 001538909 001744014 0 0009009118 0006930153 0 0012042182 0 0 001619902 TxB3 0029361148 0018430784 0030479214 0050696314 0096877485 004507886 0017038169 0034976697 0020563616 0012511831 0040660116 0029117849 0013388188 0028093051 0084760835 0022500499 0008137138 0023216479 0011315672 11-dehydro TxB2 0 0 0 000652682 0 0005517218 001140601 0 0 0 0 0 0009151976 0 0003087764 0 0 0 0 19/20-OH PGE2 0 0009215705 0009659113 0 0 0000947332 0 0 0 0 0 0006141078 0 0 0 0 0 0 0 6-keto PGE1 0 0 0 000814945 0 0 0000954656 0 0006145284 0 0 0 0 0 0 0 0008614182 0003718227 0010840128 TxB2 0279334769 1418832702 1362040392 1599603736 2739526868 0569000271 071833364 2588933819 0768985074 1136829547 4679516802 4852535649 0373194064 7031162253 7196777785 1229819863 0720233434 359059521 0668640346 6-keto-PGF1a 0 0055938887 0006593053 005817983 0012346897 0006620604 0004316627 0028233203 0 0017150879 0025424976 0040713385 0 0014304964 0007426227 0068879525 0010335126 0008196756 0025572892 19/20-OH PGF2a 0 0006263089 0 0 0004011374 0000680383 0 0009705534 0 0 0 0 0 0 0 0 0 0 0 6,15-diketo-13,14-dihydro PGF1a 0 0 0007604531 0010643995 0 0001756737 0 0011888023 0 0005039215 0011350811 0 0 0 0 0005748496 0 0 0004767362 RvD1 0 0001400653 0 0010007285 0 0 0 000993583 0 0005542971 0 0 0 0 0 0008828152 0006589518 0 0009031786 RvD2 0 0 0 0 0 0 0006021023 0 0 0 0 0011520844 0007332696 0001806542 0007168177 0015484703 0007565173 0012308927 0009025607 LTE4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0001704536 0 LTD4 0 0 0 0 0 000524166 0005180043 0 0 0009149063 000265993 0001176895 0 0 0 0 0 0 0 LTC4 0 0 0 0 0 0 0000895693 0 0009807313 0 0 0001403797 0 0 0006863919 0 0 0 0 d4-9-HODE 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 d8-5S-HETE 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 d4-LTB4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 d4-PGE2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PGF1a 0046103577 0065034536 0074947661 0099469886 0156531725 006350453 0023039654 0111969227 0086594093 0060955897 0074578348 0051851327 0039718477 0079692298 001877419 0162137936 0094316075 0130741202 007097456 13,14-dihydro PGE1 0 0 0 001530056 0 0 0 0009935988 0 0004448942 0 0 0 0 0017546 0 000859471 00083827 0 12-HETrE 3385069294 1022785434 1504145713 2956152219 1785913706 1565128467 1488421193 1522792657 5401826152 4207801855 1216799089 100244133 6437202312 1371948824 1259588113 5785548327 0776073837 1991219347 0769569784 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Pubchem ID Tetranor-12-HETE 15730832 9-oxoODE 9839084 13-oxoODE 5283012 9-HOTrE 6439873 13-HOTrE/13-HOTrE(r) 16061072 9-HODE 5282944 13-HODE 5282947 9(10)-EpOME 12097313 12(13)-EpOME 5356421 9,10-diHOME 9966640 12,13-diHOME 10236635 15-deoxy-delta12,14-PGJ2 5311211 15-oxoETE 5280701 18-HEPE 16061132 15-HEPE 16061131 12-HEPE 10041593 5-HEPE 6439678 11-HEPE 16061130 8-HEPE 16061128 9-HEPE 16061129 12-oxoETE 5283162 14(15)-EpETE 16061088 17(18)-EpETE 16061089 5-oxoETE 5283159 14(15)-EET 5283205 11(12)-EET 40490664 8(9)-EET 6440706 5(6)-EET 5283202 15-HETE 9966861 12-HETE 13786989 5-HETE 5280733 20-HETE 5283157 11-HETE 14123410 16-HETE 6442739 17-HETE 6442740 18-HETE 6442778 9-HETE 14123398 8-HETE 11976122 5-HETrE 16759351 8-HETrE 71306337 15-HETrE 44322431 2,3-dinor-11beta-PGF2a tetranor-PGFM 3246853 12-oxoLTB4 PGA2/PGJ2 5280880 PGB2 5280881 15-deoxy-delta12,14-PGD2 5283052 13,14-dihydro-15-keto PGA2 5283042 Bicyclo PGE2 5283043 delta12-PGJ2 5280885 LTB4 5280492 5,6-diHETE 14429105 5,15-diHETE 5283158 Hepoxilin A3 5283211 14,15-diHETE 16061119 17,18-diHETE 16061120 PGA1 5281912 5,6-diHETrE 5283142 8,9-diHETrE 5283144 11,12-diHETrE 5283146 14,15-diHETrE 5283147 2,3-dinor TxB2 6438342 17-HDHA 132282537 14-HDHA 52921998 7-HDHA 132472337 4-HDHA 8-HDHA 10-HDHA 11-HDHA 13-HDHA 102571766 16-HDHA 20-HDHA 19(20)-EpDPE 11631565 16(17)-EpDPE 14392758 PGD3/PGE3 5282260 15-keto-PGE2 5280719 PGK2 5283037 13,14-dihydro-15-keto PGE2 5280711 13,14-dihydro-15-keto PGD2 5283036 15-keto-PGF2a 5280887 PGE2/PGD2 5280360 PGD2 448457 LXA4 5280914 LXB4 5280915 PGF2a 5280363 8-iso PGF2a 5282263 5-iPF2a-VI PGE1/PGD1 5280723 11-beta-PGF2a/PGF2b 5280506 13,14-dihydro-15-keto PGF2a 5283039 Maresin1 60201795 PD1 71508666 19,20-diHDPA 16061148 20-carboxy LTB4 5280877 TxB3 5283140 11-dehydro TxB2 1409 19/20-OH PGE2 6-keto PGE1 5280889 TxB2 5283137 6-keto-PGF1a 5280888 19/20-OH PGF2a 6,15-diketo-13,14-dihydro PGF1a 5283033 RvD1 44251266 RvD2 11383310 LTE4 5280879 LTD4 5280878 LTC4 5280493 d4-9-HODE d8-5S-HETE 5283153 d4-LTB4 16061113 d4-PGE2 5283031 PGF1a 6473774 13,14-dihydro PGE1 161273 12-HETrE IS-d4-9,10-diHOME METABOLITES_END #END