#METABOLOMICS WORKBENCH efahy_20230425_000048 DATATRACK_ID:3943 STUDY_ID:ST002626 ANALYSIS_ID:AN004298 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 White 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_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_prerun_2 Group:QC-PreRun | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_prerun_3 Group:QC-PreRun | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - G_QC_1_4 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_blank_5 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - G_QC_2_6 Group:QC-Reference | 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SUBJECT_SAMPLE_FACTORS - QC_blank_68 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_blank_69 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_70 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_71 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_72 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_73 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_74 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_75 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_76 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_Standard_77 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_blank_78 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff SUBJECT_SAMPLE_FACTORS - QC_blank_79 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=Pass1B_neg_Wadipose_V1-2020-04-16.wiff #COLLECTION CO:SAMPLE_TYPE White 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 NEGATIVE 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 G_QC_1_4 QC_blank_5 G_QC_2_6 90252017010 90283017010 90439017010 90410017010 90232017010 90217017010 90248017010 90571017010 90444017010 90412017010 90578017010 90292017010 90227017010 90245017010 90258017010 90581017010 90567017010 90585017010 90564017010 90559017010 90289017010 90422017010 90406017010 90266017010 90587017010 90222017010 90426017010 90281017010 90237017010 90441017010 90218017010 90229017010 90416017010 90576017010 90430017010 90254017010 90449017010 90421017010 90423017010 90420017010 90251017010 90225017010 90560017010 90223017010 90267017010 90259017010 90265017010 90280017010 90239017010 90450017010 G_QC_1_63 G_QC_2_64 QC_blank_65 QC_SRM QC_blank_68 QC_blank_69 QC_blank_78 QC_blank_79 QC_7 QC_18 QC_29 QC_40 QC_51 QC_62 QC_67 QC_Standard_70 QC_Standard_71 QC_Standard_72 QC_Standard_73 QC_Standard_74 QC_Standard_75 QC_Standard_76 QC_Standard_77 11,12-DiHETrE 1.77370258 2.034704337 2.092336589 0 0 0.580398613 0.527823696 0.563497727 0.59828292 0.582417067 0.572520923 0.560221754 0.547168254 0.532172942 0.557632226 0.56051939 0.572428076 0.599732743 0.539932142 0.584573382 0.5228891 0.571496084 0 0 0.535557071 0.555254319 0.5314394 0.577579714 0 0 0 0.595855542 0.578596662 0.604105706 0.509838311 0.6282885 0.573152459 0.557391708 0.537396283 0.538180937 0.546324546 0.540603006 0.511850319 0.574233415 0.548556486 0.524948689 0.55682998 0.566729396 0.549861889 0.653860389 0.517111835 0.588760813 0.544276726 0.531802632 0.522279769 0.521323625 0 0.536547643 0 0.522787763 0.507450999 0 0.6082509 0.526196959 0.57151885 0.583753377 0.554727825 0.516966072 0.548147295 0.576299819 0.538930705 0.15 0.3 0.6 1.25 2.5 5 10 20 11,12-EpETrE 3873.967076 4171.218088 4437.772955 146.089826 0 90.95976082 76.04283174 109.3794074 97.2425013 56.80093787 55.36994817 69.85572912 28.10423504 62.39384979 65.38971676 63.36633562 84.70672104 78.37822432 176.4893047 101.5901574 81.42106401 68.55449888 70.50157277 80.76433113 86.8605093 41.70712466 35.6750322 60.67313154 49.728163 55.67193084 109.2271918 97.44368404 70.65898692 90.7287309 54.98449001 122.1310358 97.22184733 63.79306426 48.96780504 96.47649886 44.85845093 99.34902764 73.99276572 97.31718904 61.03350382 52.8352474 45.9018202 94.18432151 51.66757431 93.56155553 47.3202577 71.44272568 35.27835808 67.50881275 57.0015813 70.65199046 75.62071923 50.14546479 0 0 0 0 0 0 30.61599672 36.87529914 37.58522735 38.56304305 25.9333618 19.10014635 25.44840036 0.15 0.3 0.6 1.25 2.5 5 10 20 12-HETE 137.8588398 146.0261314 156.2481399 4.731695118 0.521833856 2.6019306 3.934029636 6.869643405 8.233224643 3.971680158 13.6985329 5.450686947 3.075721878 11.02519638 10.53925177 4.48989315 7.277945634 10.35336857 11.79927543 6.601296205 5.168684384 11.59270737 4.054079948 5.826237512 5.35616018 2.696557793 3.744300327 8.383534844 4.974359375 8.38575218 13.24319096 3.71465979 12.54409689 8.764355894 4.655317234 7.425273562 5.078680046 6.17633229 5.894299078 4.383025527 5.795812267 10.0504304 5.785354605 7.810158845 4.754397401 3.011214449 7.45078615 9.104856184 2.68501133 7.562016957 4.019509258 12.69358904 4.236529627 2.689738511 5.556846411 4.57732721 1.999883686 1.693373118 0 0 0 0 0.264073444 0 11.41830002 10.89448969 12.59875559 11.98223706 11.20756106 6.708682334 11.75528953 0.15 0.3 0.6 1.25 2.5 5 10 20 13-HODE 468.0513264 512.1534274 498.3248145 51.54621914 0 43.53474909 71.23717044 116.7403585 100.1896566 47.18841658 31.62626218 75.23083998 57.64486192 93.88238127 67.67789304 58.7149511 55.14054268 57.86742399 84.9012621 82.70299249 87.11519893 72.20645083 80.1492564 96.2965059 104.4374161 78.09588976 43.91049657 74.56151379 60.29562035 66.99529037 94.38511851 72.45023046 95.91233156 89.93892175 56.5701643 123.9519598 74.4440604 78.166123 70.04289759 77.63145508 82.14208194 55.34979576 74.39388754 48.24967117 49.78424445 56.91573779 46.88323341 54.9979375 49.88438296 52.36256851 62.67747972 66.27590107 40.40599537 62.08597041 52.28780679 60.50514055 37.58350021 27.35061715 0 0 0 0 0 0 108.7424149 96.50108021 106.70328 131.4758691 100.5635595 84.37183537 104.6703357 0.15 0.3 0.6 1.25 2.5 5 10 20 13-HpODE 2600.289317 2871.55973 3045.492972 0 0 7.933569072 135.7741582 5.131558915 13.01780374 116.6400362 7.762887867 13.43303732 39.95887443 340.4280519 5.80057596 20.19639346 26.52842612 23.85823442 25.90144786 14.06817119 71.77197312 6.573830717 15.35783603 183.465321 9.810343189 0 158.5886543 18.34098428 182.9440422 204.6834707 155.7840332 51.66174919 2.59042875 26.21884008 7.039960823 14.92501019 123.8195996 2.882154904 231.0729597 8.00643948 355.372701 19.77168219 11.37773124 28.45777396 98.25695548 34.03905906 33.84375584 11.79178568 0.830244529 3.34906139 11.2288522 17.11633296 20.69080529 7.040046149 8.268428533 9.921217133 6.131418469 5.346862965 0 788.070504 0 0 0 0 18.0921722 8.502596127 30.4363318 57.38750446 14.14110787 23.70174317 17.10728432 0.125 0.25 0.5 1 2 4.16 8.3 16.6 13-Oxo-ODE 44.58540844 49.70230518 51.77152689 3.604337665 0 0.355153274 2.896109108 5.670059211 3.464775713 4.047437499 29.26162493 1.287660202 0.86431119 3.796890603 3.845971441 2.632994458 12.88300372 11.1554818 5.70023711 3.339853524 3.122903259 10.85313469 1.37241962 2.001443011 2.364648703 2.408897141 1.745721556 4.082543592 5.936258177 2.696048951 2.227889443 2.92198646 4.375839204 4.098803033 1.772502732 2.684343038 1.827474955 1.722775423 2.170399976 6.751919807 9.266350961 13.57643624 2.668608532 15.95921741 3.632939547 2.042340183 17.11255631 1.535741204 2.094230871 17.07945714 1.483227336 8.573912215 12.37313523 3.58182653 1.524976646 4.867644241 0 0 0 0 0 0 0 0 3.711192147 6.134014069 4.970800254 2.920658884 3.344474901 2.848576491 5.162581638 0.15 0.3 0.6 1.25 2.5 5 10 20 14,15-DiHETrE 2.028397858 2.095676406 2.079494676 0.236968208 0 0.228047317 0 0 0 0.216002882 0 0.210763471 0 0 0 0 0 0 0.283907253 0 0.292293607 0.332492693 0.194838358 0.259921067 0 0 0 0 0.303932328 0 0.243817485 0.418984866 0 0 0.196892372 0.270684455 0.226982444 0 0 0 0 0.348262178 0.21577945 0.30594022 0 0.235758817 0 0.170501179 0 0.29751196 0 0 0 0 0.233414672 0 0 0 0 0 0 0 0 0.185956964 0.277702546 0 0.270606571 0.214289097 0.189551016 0 0 0.15 0.3 0.6 1.25 2.5 5 10 20 14,15-EpETrE 126.0453637 108.5845529 129.9727289 4.86539708 6.005529644 8.856099528 1.921660429 0 4.088055737 2.974756257 23.88358135 11.15683487 3.943703115 5.035042538 3.135409368 0 6.567630076 9.714603177 9.737741612 2.377673717 3.332386473 10.58356953 5.372976122 3.250582282 4.822305029 5.392079632 2.738488302 6.65859852 3.037294336 1.68094741 6.335972119 6.140617292 3.351579033 0 7.616910617 8.208916739 0 1.914540744 4.861467689 5.814974033 7.56332516 6.121565951 7.859343031 15.80456209 12.59358561 7.082381038 12.95573577 9.207424559 2.890652499 5.513120027 5.10272151 8.269233634 2.378632297 2.004695461 3.29248735 6.868799093 0 0 0 1.758533053 2.453771968 1.180705174 0 0 0 7.063294765 6.119571454 8.455925554 4.282491855 6.317041857 4.234244673 0.15 0.3 0.6 1.25 2.5 5 10 20 20-HETE 10.41491882 9.501969568 10.69740297 10.16368941 12.34757187 9.826645799 16.12106708 10.1236848 14.53664627 8.687865911 68.463068 15.49202566 15.86808992 7.792892201 14.4729278 9.161027055 36.95849193 22.6880603 16.14732708 12.03086153 1.689320296 37.60421355 11.71526378 3.807492019 13.07822176 9.035015228 12.1750937 19.48149624 18.11315362 8.477923423 8.671664874 12.55323907 11.57767306 13.29541891 10.09840485 10.38499275 17.66683718 12.43717419 11.86628966 23.2963729 4.599198586 17.88915103 5.640019552 23.46366935 25.43788869 14.56794106 31.78961739 8.057367929 7.692133842 21.15144611 26.82297639 16.50142161 24.21099622 28.62664852 11.25246734 18.47946666 5.959369546 6.357375926 14.93690504 4.211497739 6.868704831 0 1.165071437 0 6.745629344 18.69740548 13.1530737 11.96844527 12.4546963 6.062949769 10.05051048 0.15 0.3 0.6 1.25 2.5 5 10 20 5-HETE 524.5929997 514.3092999 549.1725218 1.171424849 0 1.020422782 1.007598553 1.672606388 1.460450858 1.239769166 1.147699382 1.049122164 0.766219012 1.115623092 1.230906681 0.952683653 1.283740435 1.201687485 1.75841299 1.269624893 1.119203783 1.173996144 1.492286688 1.322910683 1.600142653 0.971604439 0.769796944 1.304879335 1.076080653 1.037393738 1.338139248 1.797544833 1.457316105 1.253499264 0.956024855 1.526220424 1.124141124 1.297582226 1.075192367 1.756207309 0.844826124 0.936202083 1.179607899 1.394672733 1.192983264 1.00552557 0.998843841 1.351254894 1.323151812 1.468090026 0.979591658 1.41097012 0.649789166 0.890863325 0.978352041 1.009891973 0.778602783 0.825729719 0 0.757203945 0.301010119 0 0.349785296 0.320580952 0.991695472 0.923473589 0.988497773 0.941520643 0.881045026 0.804760924 0.952393205 0.15 0.3 0.6 1.25 2.5 5 10 20 5,6-DiHETrE 1.515269389 1.173028525 1.30396434 0.162683804 0 0.228939147 0.174950217 0.190652975 0.196067182 0 0.169278259 0.162289157 0.169612639 0.159017889 0.172363671 0.161130636 0.156990924 0.189397531 0.254424099 0.159544897 0.197713 0.175272181 0.172809263 0.184604452 0 0.179647922 0.173651132 0.160228699 0 0.179745508 0.194356729 0.16306959 0.176142668 0.164227181 0.183414188 0.225719392 0.201591773 0.223579714 0.177501339 0.173607295 0.160860411 0 0.202612455 0.281240169 0.16696482 0.181409785 0.163700046 0.220504275 0.16628678 0.278556546 0.177595049 0.178976171 0.169551035 0.182804591 0.185621468 0.18126678 0.202783103 0.185872224 0.155486691 0.155404709 0 0 0.15988921 0 0.159478252 0.178069952 0.164532151 0.190466477 0.180362613 0.193955927 0.160310852 0.015 0.03 0.06 0.126 0.25 0.5 1 2 8,9-DiHETrE 1.971870907 2.132471692 2.193581258 0.049042328 0.027802527 0.058629921 0.037085773 0.047702422 0.038710275 0.032732628 0.321933376 0.030781556 0.029550636 0.06360037 0.177470444 0.038575955 0.180428847 0.123152388 0.062108343 0.065820403 0.038339467 0.137318457 0.036572944 0.040465543 0.032035216 0.05639233 0.032793757 0.040324457 0.080128323 0.041420354 0.022248989 0.081492982 0.049212977 0.032306302 0.033441491 0.050921468 0.028122683 0.050553144 0.021423148 0.084397705 0.092765015 0.168688189 0 0.190234678 0.045451545 0.026207789 0.192706163 0.060880265 0.03008554 0.189775363 0.037474577 0.091090728 0.187844478 0.066558133 0.052870938 0.084316827 0.029738996 0.033846262 0.023206523 0 0.021732901 0 0.024981961 0 0.027324495 0.050380397 0.054869298 0.027181494 0.026748654 0.06092946 0.053648586 0.015 0.03 0.06 0.125 0.25 0.5 1 2 8,9-EpETrE 162.6905915 171.7996229 181.8040729 0.738976837 0 0.666489078 0.572354622 1.310394885 1.468372525 0.550248955 1.053805151 0.878632323 0.344143438 1.270195169 1.299575127 0.501523781 0.77703184 1.408634286 2.135989099 1.061745569 0.92306079 1.140549921 0.677296767 0.773854546 0.80417118 0.583120808 0.455258449 1.243399245 0.656067486 1.121438192 2.075058011 1.197043576 1.849946479 1.641095087 0.746987692 1.362848434 1.157987685 1.227837186 0.740308525 0.563025592 0.709103492 0.799319246 0.802171144 0.988351678 0.911320148 0.53189278 0.287036421 1.663282406 0.397552746 1.088246496 0.542509555 1.399395531 0.263989717 0.531804222 0.683673751 0.701341857 0.346648195 0.263680815 0 0 0 0 0 0 1.426912878 1.189555192 1.335153345 1.490968472 1.219360064 0.782471856 1.27136921 0.15 0.3 0.6 1.25 2.5 5 10 20 9-HETE 3996.275787 4637.377386 4646.663747 134.7037674 0 93.76847706 78.12853778 118.194006 96.02882787 66.55278648 62.84442333 88.01504421 31.08423615 64.26716019 67.20268862 56.50874642 78.13863445 73.52300407 177.1807226 104.7024078 82.31328273 86.78302424 63.24920504 77.03314442 82.55452381 54.04429912 44.39072863 69.98323637 58.93043641 58.44770802 90.70944514 99.16458173 88.03942355 108.5287355 62.47586981 126.8203421 104.0654036 69.104909 51.37219207 90.24004222 44.31545684 88.81531585 89.48379973 101.9675138 73.53950145 53.05358583 56.68613995 91.73447031 54.01738688 95.95084202 55.21860859 81.98640586 35.53134733 76.65874835 54.17482854 69.8144057 81.5245489 49.00091698 0 0 0 0 0 0 32.49712732 29.47410938 35.27565804 34.02551593 30.93785202 19.23237498 26.14495464 0.15 0.3 0.6 1.25 2.5 5 10 20 9-HODE 392.8714484 412.1502608 414.470112 25.08822211 0 20.12856464 30.06542674 51.16033746 36.70155231 22.45510483 20.91854327 27.60615762 20.54359968 29.3618449 25.67602759 27.01894899 29.07193895 28.97150811 43.20962433 34.74067607 34.58308132 31.46502443 27.75851262 31.76584635 38.94712091 30.17852501 18.3151828 29.56226751 24.7618501 24.86745482 30.50310263 32.88376379 32.94047344 36.72123877 22.83081681 46.65631006 31.18548993 30.45306228 25.26158167 34.29935166 33.15830625 27.32093663 29.40206388 29.54942924 22.25522163 24.21049105 25.87258678 24.79582938 21.81294736 29.41506433 25.86885218 23.59574884 20.48967108 27.75934088 18.17289426 27.76650893 15.66833098 12.8916864 0 0 0 0 0 0 52.66919243 52.64931367 55.5416046 61.15047669 49.51678284 40.81867951 51.28232368 0.14 0.28 0.56 1.135 2.27 4.5 9 18 9-HOTrE 1156.678507 1281.488342 1297.949014 117.588611 16.38561404 32.79134218 92.8513953 139.2348711 96.43704149 112.6384625 576.4359452 63.27314141 47.90150053 121.9859375 109.1013682 98.94944139 297.5294449 268.708397 135.7382559 130.140593 90.36560637 279.7381901 69.83705055 94.34587739 103.0409713 93.88389106 72.29205944 120.0185358 163.3607381 92.87339192 80.94988327 62.78744215 115.4040277 93.1649876 59.05118124 109.1257763 60.60104337 50.1383153 97.24834753 191.1828595 245.5932568 323.3933372 95.27312346 332.1333618 88.47053807 72.46323849 375.2548897 49.0248246 82.18019543 370.8483756 60.0876015 198.9630015 277.0522692 105.6674495 52.18807222 138.0293405 40.98158344 23.54572441 0 1.225058826 0 0 0 0 153.0775427 208.4555469 187.4511519 157.6355653 134.3277954 110.3184221 188.0926334 1.5 3 6 12.5 25 50 100 200 9S-HpODE 1077.687825 1029.631155 1171.690532 141.2607221 265.9646105 154.6646081 254.3607841 286.7371432 310.1879705 261.1189571 862.4494547 256.5649213 229.9167726 254.7096462 260.4522808 319.2880966 538.7711653 417.5174674 331.690871 282.8151711 263.849676 558.4644568 256.6195473 316.6716716 245.8450634 256.1310565 258.4929171 397.3078344 317.7955884 282.2870904 269.3648688 258.5525892 328.8402051 321.0632727 273.3283846 269.3480593 220.7513128 235.5883467 284.8713193 318.8357772 251.8746615 356.0988708 292.5524182 513.0033831 354.227957 205.4298916 357.3944824 174.2144223 189.4692427 228.4146525 285.9585715 246.6146753 330.1178324 245.7234923 306.7451654 255.9712597 125.4215333 207.689423 259.5359576 127.3591176 242.3582289 0 0.385642949 0 168.0553145 190.1547146 201.0655829 246.1467306 181.6982558 203.5657881 220.8546417 0.125 0.25 0.5 1 2 4.16 8.3 16.6 9,10-DiHOME 0.62719825 0.615123672 0.576404339 4.157609533 0.101801173 2.343511193 6.234302747 2.564824102 2.198470898 6.259090852 3.36500305 3.069870249 4.643031389 2.646901363 1.534372959 5.046344433 4.081707853 2.62141204 10.34589364 5.900906623 9.805932851 2.441239805 2.349160669 2.863866667 3.983675208 4.330934638 1.629984656 1.729016135 2.826455376 3.838003527 3.935599481 9.878291198 2.995880719 4.436193694 2.352738384 2.369797944 2.937047957 2.949658647 5.105601823 4.620011814 2.178748817 3.079348499 2.123415508 2.722460119 2.543883497 5.233978071 6.507560486 3.278133509 1.952509632 2.442297066 3.222120761 2.800420197 2.92976332 1.799658329 1.955147735 1.552317203 2.914101358 1.475067499 0.094434067 0.204185434 0 0.11832722 0.238769125 0.148299088 13.07146225 12.8902205 12.81516887 15.0557929 11.08171921 12.3151166 10.77551154 0.15 0.3 0.6 1.25 2.5 5 10 20 LTB4 185.1805974 181.4671832 176.0954611 4.163620438 2.422580273 0 3.336729104 3.07666545 1.924051693 2.283498315 11.85619899 0 0 2.389887847 3.223974386 1.836823284 4.946936662 11.30239223 2.426213456 1.980680532 0 10.10068498 1.935991032 1.502318445 0 2.125831276 1.751855977 3.133310652 5.622115702 1.536750053 0 0 1.80207783 0 2.225710692 0 0 0 0 5.576514646 3.640004888 13.27145223 0 13.54992566 3.100899708 2.46355904 6.395932033 0 2.474088864 16.96511273 0 10.66847202 12.05995517 3.887704128 1.518591931 3.533194874 1.625305247 0 0 0 0 0 0 0 0 0 3.438079503 0 0 3.857575282 3.899659519 0.15 0.3 0.6 1.25 2.5 5 10 20 PGE2 340.6061627 294.6537852 334.1496348 489.987134 0 196.1555699 320.4223335 65.25979423 156.8514204 220.3717601 252.1983976 249.4433054 323.9944166 180.8490535 119.2106485 207.9063298 251.2465733 73.68287639 295.4163844 409.7296203 375.0635587 166.3468728 162.7170986 186.6000728 266.1283196 288.9208684 91.95008053 124.124521 121.8053589 309.1841848 174.753763 396.7003218 221.2927788 177.4180267 207.7178717 169.8134857 205.5106793 253.189608 252.5176634 353.0482659 222.2600658 174.5097346 105.6062928 163.4521401 167.6130506 219.9444396 575.1759194 138.7716396 171.7934772 134.3043128 109.4191663 102.9507388 202.9571513 83.52903987 159.9276874 67.41045082 454.4290662 102.4556699 0 390.5075193 0 0 0 0 806.9903082 766.2490814 810.9776346 867.2677446 729.9408728 757.9398178 743.0843391 1.5 3 6.25 12.5 25 50 100 200 Resolvin D1 13.19537205 12.10695697 13.83627829 3.07243495 2.757353109 2.338895254 3.655133364 4.427574652 3.432601404 4.053050804 13.16612995 3.091134603 2.49798252 3.784619424 3.481257535 3.632056075 7.566830274 7.309411742 4.938017481 3.821502661 3.229820135 7.220802576 2.751769119 2.602532313 2.363286037 2.666080012 2.935151405 3.853206329 4.456688756 3.452859254 2.564760867 3.525970177 3.654358193 3.107314165 2.793306691 2.832487308 0 0 2.660618101 5.656339489 6.062660396 8.28794627 3.92654885 9.665196217 3.610489122 3.287241831 8.872343511 2.079654079 3.285970698 8.219025773 2.55433325 5.788041909 7.52390183 4.123027386 2.715874011 4.427080211 2.257420498 0 0 0 0 0 0 0 3.380692304 4.090875392 3.20141749 3.194811131 3.50884903 3.082841112 3.789447815 0.15 0.3 0.6 1.25 2.5 5 10 20 Resolvin D2 12.46525905 10.84287593 12.85136606 3.967188422 2.058319043 1.572371397 3.101254526 2.923540836 2.863938941 3.191739188 13.19006403 0 2.217146272 3.12774552 4.089240533 2.776163809 7.74542227 6.476606166 4.053106784 2.558539419 2.494388059 5.687122317 2.204595003 2.759742546 2.242449363 2.527348912 2.470496196 3.773020109 4.963884004 2.553995763 2.901714925 2.47214108 3.708629078 3.164849578 2.236453273 1.94875295 2.377499743 2.42571759 2.254225795 4.148605836 4.921952517 6.008127089 2.543728402 7.804614555 3.033547907 2.291376103 6.964414096 1.968236278 2.646657223 9.374207755 2.253509442 6.115377323 6.070876968 3.290089979 2.516885762 4.03749454 1.604588492 1.554198137 0 1.473355771 0 0 0 1.450148228 3.028849358 4.045625852 4.009584602 2.540651315 3.030953864 2.715151644 3.002872133 0.15 0.3 0.6 1.25 2.5 5 10 20 Resolvin D3 2.027698227 1.861834098 1.973525705 0.516474987 0 0.530335069 0.515343919 0.54149527 0 0 0.520353267 0 0 0 0.542433266 0.528044588 0.526147547 0.573108324 0.529678632 0 0.532252977 0 0.521401462 0.522818116 0.514700006 0.522399067 0 0.524311388 0 0 0 0.554178436 0.530861948 0.515353091 0.534281663 0.541041333 0 0.532706953 0 0 0.558660775 0.522552438 0 0.534409867 0.538614436 0.520969999 0.543879554 0.525104676 0.515975352 0.522517145 0 0 0 0.527283796 0.517654654 0 0 0 0 0.510505622 0.524063605 0 0.580765967 0.535092256 0.51406335 0.524070707 0 0.51703612 0 0 0 0.15 0.3 0.6 1.25 2.5 5 10 20 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 13-Oxo-ODE C18H30O3 293.2 294.2194948 13-Oxo-ODE 6.1 14,15-DiHETrE C20H34O4 337 338.2457096 14,15-DiHETrE 5.1 14,15-EpETrE C20H32O3 319.3 320.2351449 14,15-EpETrE 5.5 20-HETE C20H32O3 319.3 320.2351449 20-HETE 5.5 5,6-DiHETrE C20H34O4 337.3 338.2457096 5,6-DiHETrE 5.6 5-HETE C20H32O3 319 320.2351449 5-HETE 6.6 8,9-DiHETrE C20H32O4 337.3 320.2351449 8,9-DiHETrE 5.2 8,9-EpETrE C20H32O3 319.3 320.2351449 8,9-EpETrE 6.4 9,10-DiHOME C18H34O4 313.3 314.2457 9,10-DiHOME 5.1 9-HETE C20H32O3 319.3 320.2351449 9-HETE 7.3 9-HODE C18H32O3 295.3 296.2351449 9-HODE 5.9 9-HOTrE C18H30O3 293.3 294.2194948 9-HOTrE 5.4 9S-HpODE C18H32O4 311.3 312.2300595 9S-HpODE 5.1 LTB4 C20H32O4 335.3 336.2301 LTB4 4.9 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