#METABOLOMICS WORKBENCH efahy_20230425_000041 DATATRACK_ID:3936 STUDY_ID:ST002620 ANALYSIS_ID:AN004292 PROJECT_ID:PR001020 VERSION 1 CREATED_ON April 25, 2023, 7:56 am #PROJECT PR:PROJECT_TITLE Molecular Transducer of Physical Activity Consortium PR:PROJECT_SUMMARY MoTrPAC is a national research consortium designed to discover and perform PR:PROJECT_SUMMARY preliminary characterization of the range of molecular transducers (the PR:PROJECT_SUMMARY "molecular map") that underlie the effects of physical activity in humans. The PR:PROJECT_SUMMARY program's goal is to study the molecular changes that occur during and after PR:PROJECT_SUMMARY exercise and ultimately to advance the understanding of how physical activity PR:PROJECT_SUMMARY improves and preserves health. Preclinical and clinical studies will examine the PR:PROJECT_SUMMARY systemic effects of endurance and resistance exercise across a range of ages and PR:PROJECT_SUMMARY fitness levels by molecular probing of multiple tissues before and after acute PR:PROJECT_SUMMARY and chronic exercise. This program is the largest targeted NIH investment of PR:PROJECT_SUMMARY funds into the mechanisms of how physical activity improves health and prevents PR:PROJECT_SUMMARY disease. The MoTrPAC program is supported by the NIH Common Fund and is managed PR:PROJECT_SUMMARY by a trans-agency working group representing multiple NIH institutes and PR:PROJECT_SUMMARY centers, led by the NIH Office of Strategic Coordination, National Institute of PR:PROJECT_SUMMARY Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes PR:PROJECT_SUMMARY and Digestive and Kidney Diseases, National Institute on Aging, and National PR:PROJECT_SUMMARY Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee: PR:PROJECT_SUMMARY Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion PR:PROJECT_SUMMARY Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac PR:PROJECT_SUMMARY Bioinformatics / Data Coordination Center. PR:INSTITUTE MoTrPAC PR:LAST_NAME Ashley PR:FIRST_NAME Euan A. PR:ADDRESS 300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA PR:EMAIL euan@stanford.edu PR:PHONE (650) 498-4900 #STUDY ST:STUDY_TITLE MoTrPAC: Endurance exercise training study in young adult rats, Rat Brown ST:STUDY_TITLE Adipose Powder - Targeted Oxylipins ST:STUDY_SUMMARY The goal of the endurance exercise training study in young adult rats (internal ST:STUDY_SUMMARY code: PASS1B-06) was to perform exercise training studies in adult (6 month) ST:STUDY_SUMMARY F344 rats, and from these rats collect as many tissues as feasible in order to ST:STUDY_SUMMARY provide high quality samples for detailed analysis by chemical analysis sites. ST:STUDY_SUMMARY Tissues were collected from 10-12 rats sedentary control rats concurrent with ST:STUDY_SUMMARY the collection of the 8-week training groups. The 8-week training group and ST:STUDY_SUMMARY controls were from the same cohort and same age at euthanasia (either 8). For ST:STUDY_SUMMARY the older age group, an additional set of controls (n=5-6) were collected with ST:STUDY_SUMMARY the 1-2 week training group. Rats were either sedentary or underwent an exercise ST:STUDY_SUMMARY training program. Rats were exercised on the rodent treadmill 5 days per week ST:STUDY_SUMMARY using a progressive training protocol designed to exercise the rats at ST:STUDY_SUMMARY approximately 70% of VO2max as outlined in the Table on the next page. Training ST:STUDY_SUMMARY was performed no earlier than 10:00 am and no later than 5:00 pm over 5 ST:STUDY_SUMMARY consecutive days per week. Training was initiated with the treadmill set at 70% ST:STUDY_SUMMARY of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of ST:STUDY_SUMMARY exercise was increased by one minute each day until day 31 of training (start of ST:STUDY_SUMMARY week 7), when a duration of 50 min was reached. Speed and grade of each training ST:STUDY_SUMMARY session increased in larger increments due to treadmill parameters. The highest ST:STUDY_SUMMARY intensity and duration of training began on day 31. This intensity was ST:STUDY_SUMMARY maintained for the final 10 days of the protocol to ensure steady state had been ST:STUDY_SUMMARY achieved. If any rats were unable to perform at least 4 days of training per ST:STUDY_SUMMARY week they were removed from the study and euthanized. It is important to note ST:STUDY_SUMMARY that the starting treadmill speed varied depending on the sex and age of the ST:STUDY_SUMMARY rat. The initial and maximum speeds were based on VO2max measurements obtained ST:STUDY_SUMMARY during the pre-training testing of the compliant rats. Rats assigned to the ST:STUDY_SUMMARY control group followed a schedule similar to the training group. They were ST:STUDY_SUMMARY placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The ST:STUDY_SUMMARY treadmill was set at 0 m/min at an incline that corresponded to the incline ST:STUDY_SUMMARY being used by the training group. ST:INSTITUTE Emory University ST:DEPARTMENT Biochemistry ST:LABORATORY Integrated Lipidomics and Metabolomics Core ST:LAST_NAME Ortlund ST:FIRST_NAME Eric ST:ADDRESS 1510 Clifton Rd. NE, Room G235, Atlanta, GA 30322 ST:EMAIL eortlun@emory.edu ST:PHONE (404) 727-5014 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - QC_prerun_1 Group:QC-PreRun | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_prerun_2 Group:QC-PreRun | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_prerun_3 Group:QC-PreRun | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_blank_4 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_blank_5 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_blank_6 Group:QC-Blank | Timepoint:0 hour | Sex:- 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SUBJECT_SAMPLE_FACTORS 569A9229-04E8-414A-A195-FE9E8F1B66AB 90289016908 Group:Training | Timepoint:4 weeks of training | Sex:Male raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS DC8B35E8-4AA8-4829-8569-F223D069620C 90578016908 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS 89D6F615-D17C-4EB9-88EB-A602940FF179 90416016908 Group:Training | Timepoint:4 weeks of training | Sex:Female raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS 0409BED3-F9FE-4C06-9920-74F5E5CA04A3 90587016908 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS 4E974304-21EB-42E8-A729-A7FB6B406E64 90439016908 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_40 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS 90CFE5A4-76FE-4458-A2B1-A66F0B60118E 90232016908 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS 1F9BD644-303F-43E7-94BE-FF6654306F5E 90585016908 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS 68083256-8DAA-4185-B446-0CAF600474B5 90567016908 Group:Training | Timepoint:1 week of training or control time | Sex:Female raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_blank_44 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_blank_45 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_blank_46 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_SRM Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_48 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_blank_49 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_blank_50 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_51 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_52 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_53 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_54 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_55 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_56 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_57 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_58 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_blank_59 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_blank_60 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_BAT_V1-2020-04-16.wiff #COLLECTION CO:SAMPLE_TYPE Brown adipose #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY purification of oxylipids with SPE column #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Lipids were separated by liquid chromatography with 20 minutes gradient CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME ExionLC AC CH:COLUMN_NAME ThermoScientific Accucore C18 (100 x 4.6mm, 2.6um) CH:SOLVENT_A 100% water; 10 mM ammonium acetate CH:SOLVENT_B 100% acetonitrile; 10 mM ammonium acetate CH:FLOW_GRADIENT t=0 min: 90%/10% (%A/%B) @ 0.5 ml/min | t=0.5 min: 90%/10% (%A/%B) @ 0.5 ml/min CH:FLOW_GRADIENT | t=1 min: 50%/50% (%A/%B) @ 0.5 ml/min | t=2 min: 50%/50% (%A/%B) @ 0.5 ml/min CH:FLOW_GRADIENT | t=2.1 min: 25%/75% (%A/%B) @ 0.5 ml/min | t=5 min: 25%/75% (%A/%B) @ 0.5 CH:FLOW_GRADIENT ml/min | t=7 min: 15%/85% (%A/%B) @ 0.5 ml/min | t=12 min: 15%/85% (%A/%B) @ 0.5 CH:FLOW_GRADIENT ml/min | t=12.1 min: 90%/10% (%A/%B) @ 0.5 ml/min | t=18 min: 90%/10% (%A/%B) @ CH:FLOW_GRADIENT 0.5 ml/min CH:FLOW_RATE 0.5 ml/min CH:COLUMN_TEMPERATURE 50C #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_DETAILS: Peak integration, concentrations calculated base on standards curves equations, AN:ANALYSIS_DETAILS: in the result file data represented in ng/mg of tissue #MS MS:INSTRUMENT_TYPE Triple quadrupole MS:INSTRUMENT_NAME ABI Sciex 5500 Qtrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Multiple reaction monitoring mode (MRM) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ng/uL MS_METABOLITE_DATA_START Samples QC_prerun_1 QC_prerun_2 QC_prerun_3 QC_blank_5 QC_blank_6 90251016908 90225016908 90450016908 90252016908 90239016908 90426016908 90229016908 90581016908 90280016908 90449016908 90421016908 90265016908 90266016908 90420016908 90281016908 90430016908 90441016908 90423016908 90217016908 90571016908 90576016908 90283016908 90560016908 90444016908 90237016908 90289016908 90578016908 90416016908 90587016908 90439016908 90232016908 90585016908 90567016908 QC_blank_44 QC_blank_45 QC_blank_46 QC_SRM QC_blank_49 QC_blank_50 QC_blank_60 QC_7 QC_18 QC_29 QC_40 QC_48 QC_blank_4 QC_blank_59 QC_Standard_51 QC_Standard_52 QC_Standard_53 QC_Standard_54 QC_Standard_55 QC_Standard_56 QC_Standard_57 QC_Standard_58 11,12-DiHETrE 0.012438086 0.01136609 0.010141535 0 0 0.005435697 0.005415746 0.00543013 0.005611747 0.005409827 0.005658355 0 0.005414597 0.005388854 0.005582691 0.005433787 0.005552175 0.005458677 0.005572879 0.005496849 0.00575958 0.00590701 0.005863998 0.005494725 0.005310437 0.005591141 0 0.005464905 0.005303845 0.00545828 0.005389761 0.005800115 0.005724094 0.005671221 0.005817863 0.005555742 0.005631218 0.00583246 0 0 0.005281878 0 0.005303631 0.005361022 0.005640575 0.006739287 0.006768733 0.006624013 0.006832932 0.006530602 0 0.006516716 0.15 0.3 0.6 1.25 2.5 5 10 20 11,12-EpETrE 18.06790401 14.24088567 15.02792598 0 0 0.157220606 0.094161699 0.184109268 0.204974123 0.191170779 0.102194267 0.13571923 0.214864603 0.204336922 0.210365796 0.280091415 0.259575358 1.040413536 0.19308864 0.195059359 0.111966952 0.219991812 0.12677439 0.205115864 0.152671255 0.26077461 0.111800284 0.130035751 0.122939234 0.175584408 0.151068227 0.233156158 0.219228874 0.262587745 0.204497882 0.078748896 0.242453535 0.207170997 0 0 0 0 0 0 0 0.096573124 0.104306763 0.083038947 0.081473876 0.103835978 0 0 0.15 0.3 0.6 1.25 2.5 5 10 20 12-HETE 0.643887054 0.521316957 0.530418671 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.021591883 0.020824432 0.02547222 0.030198502 0.029752027 0 0 0.15 0.3 0.6 1.25 2.5 5 10 20 13-HODE 2.553538029 2.387588561 2.372071716 0 0 0.402389517 0.207510221 0.375272142 0.415183182 0.329271078 0.310641213 0.331370444 0.316176902 0.508764159 0.420877413 0.709867742 0.441434984 0.727167071 0.504348763 0.585982504 0.287318146 0.453648049 0.342518337 0.674820688 0.38525238 0.534310843 0.266077671 0.404971136 0.283771864 0.429654362 0.3735384 0.346490221 0.349125432 0.528672153 0.527296845 0.365170667 0.465139929 0.405917947 0 0 0 0 0 0 0 0.604909159 0.742901449 0.725855119 0.549636853 0.659312404 0 0 0.15 0.3 0.6 1.25 2.5 5 10 20 13-HpODE 9.706587883 7.744550808 7.403478263 0 0.080862299 0.111727972 0.13264476 0.424531744 0.221082191 0.196859657 0.077336272 0.13184095 0.076261344 0.256488183 0.17572016 0.126848686 0.233499127 1.596190628 0.186912429 1.4787364 0.062403322 0.162521218 1.217750659 0.668296065 0.199807843 0.9884431 0.132208179 0.236021414 0.118438231 0.289285031 0.181617791 0.211204708 0.11310378 0.245647367 0.266081041 0.127223414 0.231939337 0.297909536 0.015551253 0.031716962 0 4.328491984 0 0.009017374 0.03276114 0.139282357 0.773353632 0.064777074 0 0.284625414 0 0 0.125 0.25 0.5 1 2 4.16 8.3 16.6 14,15-EpETrE 0.60023835 0.426626749 0.601057822 0 0 0.017232831 0 0.022063344 0.051582761 0.002264377 0.024967617 0.010617768 0 0.130041934 0.01738053 0.048778679 0.011550715 0.011087109 0.055364335 0 0.015053465 0.002470905 0 0.054767803 0.017830486 0.094246859 0.0156398 0.038276033 0.014295055 0.001654554 0.08033125 0.121749236 0.040172276 0.013205718 0.046992867 0 0.070725706 0.027390873 0 0.001770735 0 0.011565533 0.00099233 0 0 0.04615717 0.026888874 0.023295795 0.038535548 0.0157 0.003772951 0 0.15 0.3 0.6 1.25 2.5 5 10 20 20-HETE 0.006680865 0 0.019887862 0.023420259 0 0.032729517 0.023875141 0.012117463 0.013175343 0 0.057212723 0.04965076 0.022134567 0.009578152 0.007843118 0.044701016 0.004686681 0 0.03675895 0.024383713 0 0.026391068 0.065625554 0.053023017 0.07685598 0.048457508 0.051135224 0.030472624 0.036463406 0.018934222 0.024924406 0.011796105 0.098720262 0.008989099 0.037988062 0.044508462 0.022733831 0.032461082 0 0.017251291 0 0.027874232 0 0 0 0 0 0.015205764 0.004310736 0.017655302 0.006042778 0 0.15 0.3 0.6 1.25 2.5 5 10 20 5-HETE 1.892574124 1.740991174 1.848248417 0.004164965 0.004073769 0.007684734 0.006876703 0.007881162 0.008420412 0.007295402 0.007473565 0.006170011 0.008304048 0.009119527 0.008005022 0.01220097 0.007225209 0.008108435 0.007483136 0.007398979 0.008737569 0.008971407 0.008140336 0.010640662 0.007456064 0.009742879 0.006838773 0.007902658 0.007610559 0.007798234 0.00805824 0.010482458 0.008112498 0.008852931 0.010547985 0.006186705 0.009057168 0.007454763 0 0 0 0.005963127 0.004145524 0 0.004485013 0.007739971 0.006693365 0.006722993 0.007858141 0.008077582 0.004657913 0.004614246 0.15 0.3 0.6 1.25 2.5 5 10 20 5,6-DiHETrE 0.008207444 0.007665245 0.00797469 0 0.00291187 0 0.002972592 0.0031028 0.002961524 0.003042076 0.002907006 0.002974858 0 0.003023611 0.003085627 0.002935452 0.003030433 0.002923318 0.003070596 0.002915906 0.002945729 0.00293689 0.003046602 0.002909112 0.002964311 0.003029929 0.002970642 0.003009788 0.002907164 0 0.003005734 0.003021431 0.002941335 0.00309554 0.002906286 0.003041018 0.003077825 0.002936736 0.002897994 0.002898721 0 0.002999946 0.002899233 0.002897839 0.00289965 0.003534296 0.003642449 0.003557026 0.003488332 0.003361293 0.002897584 0.002958087 0.015 0.03 0.06 0.126 0.25 0.5 1 2 9-HETE 19.02006179 15.47059775 16.0502266 0 0 0.154088863 0.091892318 0.167049446 0.227760254 0.190402121 0.103914584 0.112643537 0.199634037 0.171303346 0.19290542 0.300053121 0.216424907 1.080139715 0.273345445 0.193233812 0.121599571 0.163189952 0.189542035 0.242645944 0.194494967 0.291237065 0.101516576 0.14937538 0.180173304 0.163084239 0.14850769 0.25632586 0.153231247 0.260563924 0.249808317 0.096728974 0.254116324 0.176751946 0 0 0 0.001160474 0 0 0 0.100538416 0.099740876 0.078270817 0.094270892 0.099697875 0.001432998 0 0.15 0.3 0.6 1.25 2.5 5 10 20 9-HODE 2.043495909 1.785254624 1.773953146 0 0 0.279587704 0.143737643 0.249199948 0.301802003 0.230125035 0.201564928 0.199912854 0.205908283 0.371724108 0.314975829 0.480672294 0.28286836 0.440731364 0.354407784 0.398218889 0.225491115 0.340213174 0.238116467 0.43275045 0.269972286 0.393198378 0.194869886 0.315874527 0.200716898 0.282469284 0.281692705 0.252264117 0.236495409 0.350231216 0.364807386 0.200542526 0.321285229 0.298375107 0 0 0 0 0 0 0 0.588364176 0.588238033 0.515559841 0.492204156 0.533202854 0 0 0.14 0.28 0.56 1.14 2.27 4.5 9 18 9S-HpODE 6.51015018 4.227022445 5.015076639 0.664912695 0.501789821 0.47384765 0.749156514 0.248755773 0.688478297 0.460785629 1.231896593 1.223168708 0.587195889 0.834982518 0.661219951 0.663258282 0.568394466 0.459324996 0.594693733 0.438669157 0.515941616 0.749910741 0.679637866 1.036383444 0.678125118 1.653498586 0.5937593 0.520035792 0.706687287 0.484471472 0.524468844 0.525493703 1.22148511 0.673003389 0.97413543 0.583510754 0.583493919 0.852681339 0.859577422 1.083096569 0.52654487 0.766788519 0.88911147 0.073896166 0 0.683641333 0.286398594 0.355307239 0.186501308 0.844445713 0.867554207 0.006134336 0.125 0.25 0.5 1 2 4.16 8.3 16.6 9,10-DiHOME 0 0 0 0 0 0.011905119 0.003325094 0.005760424 0.006999429 0.010466895 0.006488174 0.002369474 0.006615608 0.015785468 0.009222379 0.012145753 0.011962403 0.002822067 0.012197606 0.016069224 0.007538918 0.012976483 0.010498453 0.006821375 0.006836572 0.007657065 0.00383888 0.01128931 0.008656872 0.004654459 0.005083555 0.012482356 0.007054098 0.019861284 0.014566801 0.004989661 0.008189851 0.007329294 0 0 0 0 0 0 0 0.041881331 0.038264922 0.039549983 0.034249066 0.039087952 0 0 0.15 0.3 0.6 1.25 2.5 5 10 20 PGE2 1.022105909 0.723205552 0.574445649 0 0 0 0.12476659 0 0 0 0.091689415 0 0 0 0 0 0 0 0 0 0.565773872 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5.203390162 4.706228552 3.896075871 4.296877155 4.944428408 0 0 1.5 3 6.25 12.5 25 50 100 200 Resolvin D1 0.0676331 0.066216355 0.060415409 0.028850803 0.029233346 0.031459253 0.029373861 0 0.030466524 0.030527925 0.030285642 0.030249788 0.031252311 0.029679777 0.030071047 0.031291517 0.031137587 0.032511436 0.030331051 0.031348917 0 0.031164308 0.030781417 0.030851224 0.030419277 0.030512539 0.031109119 0.03043052 0.029460804 0.029507281 0.030810339 0.028956003 0.031013521 0 0.031920709 0.029792931 0 0.029790258 0.028790823 0.028790584 0 0.029989748 0 0 0 0.033210109 0.032433965 0.03142569 0.030799258 0.03122108 0 0 1.5 3 6 12.5 25 50 100 200 Resolvin D2 0.072110233 0.064265626 0.068112923 0 0.032593651 0.034256254 0 0.035312066 0.035257369 0.03377217 0.035305571 0.033781418 0.035020196 0.03414499 0.033472512 0.037221206 0.035217002 0.035860049 0.034429956 0 0.035630459 0.034363022 0.034093477 0.034578778 0.035099371 0.034443236 0.033186509 0.034859843 0 0 0.034458086 0.035573815 0.033486377 0.034670706 0.034914095 0.032770068 0.033717675 0.033628161 0 0 0 0.034291187 0 0 0 0.035140836 0.034708683 0.033248657 0.035011663 0.035653128 0.032667876 0 1.5 3 6 12.5 25 50 100 200 Resolvin D3 0.032203859 0.028268057 0.030150409 0 0 0 0 0 0 0.019024161 0 0 0 0.019331971 0.01876935 0 0.018898095 0 0 0.018815898 0.018702182 0 0 0 0 0 0 0.018844706 0.01864452 0 0 0.018879915 0.01878408 0.018801715 0 0 0 0 0 0 0 0 0 0 0.019057346 0 0 0 0.018847604 0.018849917 0 0.018933708 1.5 3 6 12.5 25 50 100 200 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt 11,12-DiHETrE C20H32O4 337.3 338.2457096 11,12-DiHETrE 5.3 11,12-EpETrE C20H32O3 319.3 320.2351449 11,12-EpETrE 7.3 12-HETE C20H32O3 319.3 320.2351449 12-HETE 6.3 13-HODE C18H32O3 295.3 296.2351 13-HODE 5.8 13-HpODE C18H32O4 311.2 312.2300595 13-HpODE 3.4 14,15-EpETrE C20H32O3 319.3 320.2351449 14,15-EpETrE 5.5 20-HETE C20H32O3 319.3 320.2351449 20-HETE 5.5 5-HETE C20H32O3 319 320.2351449 5-HETE 6.6 5,6-DiHETrE C20H34O4 337.3 338.2457096 5,6-DiHETrE 5.6 9-HETE C20H32O3 319.3 320.2351449 9-HETE 7.3 9-HODE C18H32O3 295.3 296.2351449 9-HODE 5.9 9S-HpODE C18H32O4 311.3 312.2300595 9S-HpODE 5.1 9,10-DiHOME C18H34O4 313.3 314.2457 9,10-DiHOME 5.1 PGE2 C20H32O5 271.3 352.2249741 PGE2 4.8 Resolvin D1 C22H32O5 375.3 376.2249741 Resolvin D1 4.4 Resolvin D2 C22H32O5 375.3 350.2093241 Resolvin D2 5.1 Resolvin D3 C22H32O5 375.3 350.2093241 Resolvin D3 4.2 METABOLITES_END #END