#METABOLOMICS WORKBENCH efahy_20230425_000004 DATATRACK_ID:3890 STUDY_ID:ST002582 ANALYSIS_ID:AN004253 PROJECT_ID:PR001664
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 Plasma -
ST:STUDY_TITLE                   	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
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SUBJECT_SAMPLE_FACTORS           	-	QC_prerun_3	Group:QC-PreRun | Timepoint:0 hour | Sex:-	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
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SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587013107	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422013107	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
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SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581013107	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
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SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252013107	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283013107	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
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SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232013107	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449013107	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223013107	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227013107	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
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SUBJECT_SAMPLE_FACTORS           	-	QC_62	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
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SUBJECT_SAMPLE_FACTORS           	-	QC_SRM	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
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SUBJECT_SAMPLE_FACTORS           	-	QC_blank_69	Group:QC-Blank | Timepoint:0 hour | Sex:-	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_70	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_71	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_72	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_73	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_74	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_75	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_76	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_77	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Pass1B_neg_plasma_V1-2020-04-16.wiff
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#COLLECTION
CO:SAMPLE_TYPE                   	Plasma
#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 (4.6 x 100mm, 2.6um)
CH:SOLVENT_A                     	water with 10 mM ammonium acetate
CH:SOLVENT_B                     	acetonitrile with 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/ul of plasma
#MS
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:INSTRUMENT_NAME               	ABI Sciex QTRAP 5500
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	QC_blank_4	G_QC_1_5	G_QC_2_6	90416013107	90222013107	90218013107	90259013107	90217013107	90281013107	90248013107	90245013107	90560013107	90564013107	90229013107	90585013107	90266013107	90576013107	90258013107	90450013107	90292013107	90587013107	90422013107	90430013107	90267013107	90426013107	90289013107	90423013107	90441013107	90439013107	90237013107	90406013107	90412013107	90265013107	90559013107	90410013107	90567013107	90280013107	90444013107	90581013107	90254013107	90571013107	90252013107	90283013107	90232013107	90449013107	90223013107	90227013107	90225013107	90251013107	90421013107	90420013107	90239013107	90578013107	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	0.005429782	0.005198956	0.00542677	0.001756254	0	0.001735206	0.001786995	0.001742636	0.001812675	0.001794346	0.001740914	0.001781772	0.001906314	0.001890166	0.00179292	0.001807068	0.001883089	0.001784562	0	0.001791336	0.001744083	0	0.001857852	0.001783512	0.001776558	0.001837364	0.001819655	0.001861293	0.001765529	0.001822017	0.001799636	0.001738394	0.001761827	0.00172988	0.001781607	0.001762196	0.001834644	0.001744217	0.002004843	0	0	0.001814143	0.001761425	0.001793539	0.001755129	0.001763811	0.001864649	0.001807361	0.001742365	0.001769843	0.001747247	0.001821721	0	0.001806262	0.001750491	0.001759787	0.001728383	0.001749618	0.001755138	0.001726438	0.001755795	0.001718656	0.001739577	0.001769962	0.005548005	0.005482412	0.004219771	0.004816844	0.004694465	0.00451867	0.004864209	0.15	0.3	0.6	1.25	2.5	5	10	20
11,12-EpETrE	9.811466071	9.399346242	9.355851991	0	0.00488905	0.004214474	0.006102658	0.01834084	0	0	0.016923019	0.016460508	0.033520934	0.029641797	0.029281146	0.040238978	0.029287702	0.008163422	0.018181804	0.014506555	0.009499721	0.08184293	0.017550447	0.016053102	0	0.027276236	0.034306565	0.028681685	0.011125369	0.013838542	0.016269017	0.00850668	0.013536553	0	0.004062035	0.011770103	0.023036017	0.008194607	0.031119175	0	0.012618263	0	0.082052492	0.093385569	0.007244255	0.028738601	0.013185351	0.019732283	0.050524397	0.039323801	0.013349916	0.024438015	0.022797513	0.00265793	0.003149398	0	0.011266056	0	0	0.00748652	0.004480563	0	0	0	8.593554772	9.082046027	6.488060822	8.723206276	8.314889699	8.118170267	7.851570569	0.15	0.3	0.6	1.25	2.5	5	10	20
12-HETE	0.358510399	0.321780926	0.32459887	0	0.003961976	0.005166012	0	0.010798257	0.006620817	0	0.01866287	0.009011317	0.01758416	0.005768205	0.007315192	0.010343147	0.019262726	0.01042915	0.033874187	0.011491641	0.005660772	0.019017159	0.012874548	0.015538961	0	0	0.011821773	0.020777111	0.006657777	0	0	0.009545285	0.010959158	0.00346239	0	0.014306351	0.007747307	0.006374941	0.007201953	0	0.008820506	0.005786451	0.02210774	0.033776698	0.00998149	0.010729849	0.012827065	0.008025796	0.071587647	0.029414078	0.009903806	0.009202439	0	0.016599141	0.007717556	0.012655981	0.00369552	0.005227954	0	0	0	0	0	0	0.309761997	0.301034762	0.228593492	0.317374227	0.299260045	0.295185601	0.274276994	0.15	0.3	0.6	1.25	2.5	5	10	20
13-HODE	1.194329002	1.167867656	1.1376601	6.3e-05	0	0.002240747	0.003943835	0.015865428	0.014957096	0.001494275	0.010514878	0.018411045	0.065517027	0.017832021	0.020286583	0.021328733	0.015225071	0.005878716	0.009750398	0.003772708	0.006010029	0.014566737	0.013914538	0.044994636	0.004238669	0.015676038	0.060262711	0.075535892	0.017837668	0.012007956	0.010606695	0.003853337	0.003277561	0.00165027	0.002752833	0.004585389	0.011030755	0.010300435	0.031767393	0.001810424	0.005227618	0.00159464	0.051355	0.002546279	0.006046353	0.017344405	0.004806604	0.012896411	0.029375555	0.052559505	0.011830702	0.026588238	0.021048127	0.038961166	0.003368397	0.007038333	0.008194041	0.000105273	8.73e-05	0.005169721	0.000578665	0	0	0	1.080966052	1.144344846	0.864462423	1.051666148	0.957124355	0.920060322	0.904623957	0.15	0.3	0.6	1.25	2.5	5	10	20
13S-HOTrE(gamma)	0.22895742	0.217776533	0.232155205	0	0	0	0	0	0	0	0	0	0.05531545	0	0	0.00034367	0	0	0	0	0	0	0	0.041849645	0	0	0.045049503	0.073707978	0.003510762	0	0	0	0	0	0	0	0	0	0.01415109	0	0	0	0.066520624	0	0	0.001803523	0	0	0	0.070614926	0.000529941	0.015923307	0.013988841	0.036089328	0	0	0	0	0	0	0	0	0	0	0.215992682	0.236314386	0.166915978	0.195796775	0.175348666	0.173794991	0.157732187	1.5	3	6	12.5	25	50	100	200
13-HpODE	7.25143378	6.861296115	6.913607161	0	0.033019413	0.058126672	0.01689417	0.025596275	0	0.026266159	0.095883393	0.11345433	0.077583068	0.21632828	0.101986683	0.211985561	0.028893204	0.06919035	0.020463239	0.048993048	0	0.064089252	0.084903052	0.49282064	0.034688255	0.164046877	0.082013254	0.471583059	0.039300463	0	0.024429483	0.021180504	0.05878931	0	0.040225751	0	0.049115599	0.098493765	0.156679173	0.020597426	0	0.02502306	0.27303975	0.047617912	0	0.015108079	0	0.145692781	0.132737796	0.300727858	0.052605991	0.106814567	0.135861192	0.213199212	0.04299865	0.14183613	0.086257924	0.066560767	0.075718147	2.328477438	0.017989816	0.015711727	0	0	6.060785516	6.689946998	4.595373999	6.325400732	5.842221641	5.362760292	5.206612648	0.125	0.25	0.5	1	2	4.16	8.3	16.6
13-Oxo-ODE	0.119896322	0.12251723	0.12066013	0	0	0	0	0.00591308	0.006229592	0	0.001356632	0.005363222	0.036381374	0.005754121	0.002883902	0.007251896	0.003265182	0	0	0	0	0.00563557	0.006709134	0.030315863	0	0.002796549	0.030327279	0.04612546	0.009757562	0.000939422	0.002382534	0	0	0	0	0	0.001330153	0.003215969	0.014439246	0	0	0	0.036470195	0	0	0.005657888	0	0.002707239	0.007539973	0.035412873	0.006338338	0.011556995	0.010837081	0.02283635	0	0	0.002396052	0	0	0.000537742	0	0	0	0	0.116556475	0.129153387	0.090386027	0.105059676	0.088860613	0.090107867	0.08587231	0.15	0.3	0.6	1.25	2.5	5	10	20
14,15-DiHETrE	0.005101454	0.005487589	0.004986178	0.001222688	0.001159924	0.00113352	0.002163637	0.001852343	0.00151351	0.001486234	0.001437599	0.00162159	0.002443248	0.005713932	0.002643383	0.00250187	0.001274482	0.002307241	0.001820919	0.002108524	0.002154458	0.00169013	0.001507697	0.002443538	0.001225957	0.001502369	0.00238398	0.00236501	0.001684876	0.001676268	0.00120491	0.001511677	0.001525422	0.002466725	0.003218326	0.002455613	0.001582558	0.001350711	0.002788989	0.001306948	0.001867902	0.00169185	0.00343629	0.002640292	0.002270095	0.001268151	0.001206883	0.00130323	0.001867834	0.002943272	0.001009465	0.002046027	0.001682269	0.002612655	0.001702872	0.001872377	0.001174993	0.001419427	0.001152913	0.001110768	0.001499592	0.00114956	0.000993614	0.001226575	0.005336042	0.00537631	0.004388736	0.005361353	0.004890439	0.004380705	0.00484856	0.15	0.3	0.6	1.25	2.5	5	10	20
14,15-EpETrE	0.354058291	0.337403066	0.324305937	0	0	0	0.009731259	0	0	0.017927983	0.016533695	0.016181489	0.070704659	0.017835029	0	0.027546793	0.005267926	0	0	0.008603975	0	0.011413862	0.023807057	0.039833155	0	0	0.038059455	0.047833904	0.011209412	0	0	0	0	0.015843703	0	0	0	0.018653597	0	0	0	0	0.044705379	0	0	0.009204828	0	0	0.018538677	0.042604271	0	0	0.009680096	0	0	0.011977114	0.0106489	0.00601198	0.011554441	0	0.009565774	0	0	0	0.299926445	0.33361576	0.20728192	0.303499153	0.341795208	0.300608008	0.298907095	0.15	0.3	0.6	1.25	2.5	5	10	20
20-HETE	0.030986812	0.024249919	0.036918439	0.031161627	0.043747024	0.048095077	0.008210573	0.010386251	0.006863093	0.029384114	0	0.022439737	0.039798342	0.037709817	0.018206926	0.001236478	0.012789453	0.01665663	0.011826107	0.022352086	0.017858778	0.000563383	0.056617961	0.087929171	0.015048046	0.013009274	0.04019437	0.022432469	1.93e-06	0.01421375	0.009610385	0	0.01208525	0.010569023	0.010295079	0.013781245	0.005126904	0.013432469	0.020745616	0.011383662	0.026305978	0.018663133	0.040759255	0.018545975	0.018414009	0.028396313	0.017396227	0.010097331	0.013682163	0.05109852	0.016464155	0.020649764	0.029111345	0.065940641	0.007764791	0.005390936	0.059774943	0.023854904	0.017379206	0.028362885	0.022156069	0.012576902	0.007762353	0.00225164	0.008618469	0.020061363	0.029568741	0.04367184	0.015528558	0.037001691	0.009528545	0.15	0.3	0.6	1.25	2.5	5	10	20
5,6-DiHETrE	0.006023438	0.005791333	0.005421229	0	0.000125307	0	0.000123603	0.000166919	0.00014604	0.000124931	0.000120623	0.000173805	0.000231413	0.00022343	0.000127232	0.000121955	0.000146576	0.000216597	0.00012486	0.000189837	0.000125068	0.000199636	0.000214153	0.000173586	0.000120481	0.000232307	0.00017403	0	0.000194646	0.000210804	0.000134012	0.000130789	0.000121633	0.000129028	0.000118933	0.000112498	0.000196245	0.000151415	0.000127503	0.000176584	0.000146473	0.000141682	0.00014191	0.000118825	0.000216262	0.000169043	0.000138605	0.000193143	0.000167209	0.000170604	0.000119916	0.000223685	0.000211659	0.000148828	0.000116334	0.000121554	0	0.000121136	0	0.000187063	0	0	0.00011416	0.000109514	0.005499699	0.005793984	0.003524051	0.004998035	0.004199613	0.004697638	0.004016159	0.015	0.03	0.06	0.126	0.25	0.5	1	2
5-HETE	1.248555842	1.177908077	1.205212896	0.002057216	0.001800736	0.001815154	0.002414658	0.002337159	0.002145717	0.002030014	0.002250847	0.002499831	0.002637416	0.002684018	0.002565247	0.002625508	0.002755479	0.002284399	0.001983062	0.002131645	0.002073374	0.002394198	0.002378011	0.002165943	0.001972644	0.002654615	0.002695031	0.003072069	0.001876254	0.002498661	0.002149462	0.002019492	0.001905902	0.002064681	0.002001342	0.00195493	0.002834635	0.002113371	0.002612456	0.001795957	0.002072917	0.002022301	0.00248151	0.002786872	0.002176642	0.002519837	0.002257043	0.002288465	0.002526304	0.001579376	0.001944283	0.002756547	0.002186506	0.002408659	0.00201547	0.002022708	0.002520823	0.001663671	0	0.002774201	0.002171494	0	0.001849187	0.001618022	1.09571058	1.151120212	0.868627045	1.200961759	1.072249015	1.025001357	0.949451515	0.15	0.3	0.6	1.25	2.5	5	10	20
8,9-DiHETrE	0.005463803	0.004923506	0.0051436	0.000120056	0.000134181	0.000124762	0.000116472	0.000142374	0.000111086	0.000106811	0.00012451	0.000172663	0.000134778	0.000124	0.000120947	0.000129005	0.000114888	0.000133951	0.000114267	0.000119626	0.000105614	0	0.000136319	0.000168428	0.000114254	0.000132961	0.000124935	0.000251006	0	0.000128774	0.000107507	0	0.000133871	0.000127359	0.000123792	0.000140166	0.000126597	0.000149963	0.000117818	0	0.000134347	0.000100785	0.000692537	0.000129609	0.000133272	0.000177095	0.000122756	0.000136347	0.000159557	0.000619753	0.000106567	0.000254208	0.000312652	0.000396025	0.000116051	0.00014549	0.000106288	0.000128557	0.000122018	0.000124702	0.000123507	0.000112536	0.000118249	0.000129504	0.005017787	0.00578023	0.003558157	0.0046217	0.004182233	0.004244804	0.004092276	0.015	0.03	0.06	0.125	0.25	0.5	1	2
8,9-EpETrE	0.407435553	0.364863785	0.345070688	0.001462852	0.001628136	0.001848269	0.001747785	0.003166641	0.001865226	0.00164435	0.004087289	0.001897537	0.002163438	0.002263924	0.003017962	0.002082723	0.002017104	0.002755919	0.005199403	0.002656265	0.002097074	0.004107178	0.003696707	0.002242587	0.001505	0.002055734	0.002341274	0.001913761	0.002043052	0.002264608	0.002027632	0.002888934	0.002430692	0	0.001472508	0.002789537	0.00246636	0.002679595	0.002080548	0.001738277	0.002328159	0.001961597	0.001488078	0.005177598	0.002487061	0.003112979	0.003295696	0.002455406	0.010131307	0.00296513	0.001573447	0.00277236	0.001871392	0.002810713	0.002110679	0.002933347	0.002131422	0.001714241	0	0.001743624	0.001440395	0	0.001587688	0.001443017	0.371865353	0.363950154	0.251983855	0.371625052	0.340596173	0.333474136	0.304413496	0.15	0.3	0.6	1.25	2.5	5	10	20
9,10-DiHOME	0.001828973	0.001709361	0.001531547	0.000366765	0.000512371	0.000693798	0.001232234	0.001413819	0.00091529	0.001361855	0.000746956	0.001866261	0.003050155	0.001991874	0.00208756	0.002259848	0.001079282	0.001708864	0.002254106	0.001613295	0.002227925	0.001122147	0.001364375	0.001662932	0.001266699	0.001608045	0.002730981	0.001367733	0.000838826	0.001532686	0.001729343	0.001588272	0.000875322	0.001918081	0.002063515	0.002023507	0.001623378	0.001273402	0.001747823	0.000932834	0.001662097	0.00154607	0.001028057	0.000966783	0.002655757	0.001494849	0.001243096	0.001611586	0.001079338	0.001237059	0.000667658	0.003523124	0.001199115	0.001522652	0.001050587	0.001765694	0.000528747	0.000686367	0.000379316	0.000736302	0	0.000360473	0.000469217	0.000387214	0.001175378	0.001426244	0.001244023	0.001487409	0.001133981	0.001194522	0.001043029	0.15	0.3	0.6	1.25	2.5	5	10	20
9-HETE	10.61727205	10.33443558	10.42463092	0	0	0	0.003105412	0.009474569	0.00694915	0	0.005126109	0.016427722	0.024300166	0.023262629	0.031998869	0.03417119	0.043322121	0.007567879	0.004577625	0.023253458	0.012043023	0.078513815	0.020778354	0	0	0.016599715	0.034514305	0.029701695	0.011362486	0.019961178	0.017648145	0	0.005475418	0	0.000674714	0.00918991	0.026329776	0.002226365	0.018058763	0	0	0	0.00214577	0.104696912	0.004090231	0.032594604	0.022968105	0.013692776	0.052253599	0.039900911	0.006878433	0.026409447	0.014493994	0.02333525	0.004149195	0.006722158	0.020021618	0.000965695	0	0	0	0	0	0	9.491922763	10.19665595	7.079651386	9.680434113	9.410248078	9.376910736	8.419523973	0.15	0.3	0.6	1.25	2.5	5	10	20
9-HODE	0.991715148	0.930299629	0.92415008	0	0	0	0	0.008574622	0.005592448	0	0.004103957	0.01117992	0.038949195	0.010718216	0.015870283	0.01308968	0.008562136	0.002191474	0.004807084	0.002311832	0.002224504	0.009918841	0.007747937	0.029386825	0.000423276	0.010864263	0.036999811	0.046207706	0.008484113	0.005682204	0.007401148	0.000659295	0	0.000967167	0	0.001993352	0.00690437	0.005271333	0.017757153	0.000139281	0.001528526	0	0.033613859	0.000810415	0.001906623	0.013132965	6.64e-05	0.010619995	0.01502175	0.037153375	0.005868464	0.01741786	0.012282124	0.024218233	0.000557737	0.002337511	0.003546404	0	0	0.002599934	0	0	0	0	0.829372017	0.895882173	0.684659363	0.818462014	0.73467874	0.720567169	0.672543873	0.14	0.28	0.56	1.14	2.27	4.5	9	18
9-HOTrE	3.205352258	3.007595319	2.928337819	0.028395444	0.022673791	0.054122385	0.027092039	0.17068348	0.186043601	0.030904531	0.096448765	0.17456731	0.831597388	0.168944607	0.118763969	0.201790715	0.129686656	0.034444427	0.029750628	0.03472125	0.051346076	0.166819129	0.203183028	0.657043602	0.034292171	0.100848864	0.682449467	1.076097503	0.273361026	0.07970187	0.095011382	0.034968069	0.027664424	0.025018095	0.033358881	0.028348904	0.084504952	0.138303509	0.358034309	0.030082932	0.053921491	0.038721001	0.309384644	0.029327259	0.116282011	0.064579522	0.028290495	0.054786312	0.094277153	0.276683625	0.075488952	0.094010965	0.093986429	0.188186211	0.035191581	0.042019582	0.046543136	0.025969007	0.053101528	0.083657863	0.031694574	0	0	0	3.134532139	3.142967139	2.288428569	2.903080861	2.481323803	2.346101738	2.445431959	1.5	3	6	12.5	25	50	100	200
LTB4	0.70876531	0.46747662	0.371740721	0.003011695	0	0.007619977	0	0.01350382	0.01496708	0.001145532	0.004221072	0.005639123	0.055049807	0.011498056	0.006243112	0.013493922	0	0	0.00255482	0	0.002089488	0.014251361	0.002170204	0.026639022	0.003162274	0.011793364	0.04944568	0.05978541	0.017662242	0.00699944	0.003249448	0.001713696	0.001511059	0.003715897	0.003654038	0.001711653	0.004875556	0.005580505	0.025948296	0.002213745	0.00139516	0.002005016	0.04545662	0.002307253	0.001935726	0.009862088	0.003299969	0.003534874	0.015455318	0.064710121	0.011372476	0.021829342	0.025283084	0.040415025	0.001696269	0.001093074	0.008900413	0.002205739	0.002613626	0.003585076	0.004224998	0	0	0.000740277	0.657280988	0.34837038	0.169073186	0.554926353	0.490984158	0.573080309	0.461927207	0.15	0.3	0.6	1.25	2.5	5	10	20
PGE2	0.468685619	0.334366957	0.264597006	0.411540699	0.229438612	0.292238994	0.145203991	0.066447187	0.106072139	0.095455297	0.084103106	0.336957976	0.207215406	0.430555074	0.620396228	0.213664903	0.165010296	0.226180427	0.164456712	0.345402358	0.098019028	0.111814319	0.188044964	0.173243524	0.292276587	0.335501775	0.171761608	0.110127431	0.096683291	0.409210581	0.077249788	0.088485183	0.140189002	0.388623217	0.197855109	0.286379267	0.22247042	0.121569754	0.093838082	0.151164582	0.116438319	0.058938451	0.071465567	0.020019801	0.242422185	0.122700118	0.135535869	0.260899813	0.108184451	0.079406369	0.095667181	0.08513721	0.076110374	0.039292087	0.023727613	1.278647719	0.198459593	0.253264338	0.42559104	0.159132136	0.285198104	0	0	0	0.166621583	0.164805321	0.209620067	0.186010876	0.103656295	0.113478046	0.093444312	1.5	3	6.25	12.5	25	50	100	200
Resolvin D1	0.145832921	0.134324066	0.125683788	0	0	0.000608092	7.93e-05	0.005846773	0.009438937	0	0.002338856	0.006085974	0.035654352	0.006743948	0.006216251	0.009917689	0.005846463	0	0	0	0.000395933	0.007854738	0.009413877	0.031681713	0	0.00390445	0.036873433	0.049091707	0.012750267	0	0.003464784	0	0	0	0	0	0.001634099	0.003553571	0.014471347	0	0	0	0.03395016	0	0	0.006541213	0.000996917	0.002272768	0.010324461	0.033140469	0.007324428	0	0.00962651	0.022070026	0	0	0.004153215	0	0.001028157	0	0	0	0	0	0.116172805	0.13676349	0.094687414	0.114356617	0.072317697	0.071312566	0.068047164	0.15	0.3	0.6	1.25	2.5	5	10	20
Resolvin D2	0.133653214	0.133259837	0.125153328	0	0	0	0	0.006725483	0.006832565	0	0.001231229	0.005501246	0.042920772	0.006668901	0.002550446	0.007004712	0.005848115	0	0	0	0	0.006721622	0.007911372	0.036271115	0	0.002023653	0.038413462	0.056290873	0.009625012	0.001312919	0.001346021	0	0	0	0	0	0.001946217	0.005571544	0.015745082	0	0	0	0.036447775	0	0	0.004105408	0	0.000255528	0.007247554	0.032397208	0.004257651	0.010664867	0.007263116	0	0	0	0.002157801	0	0	0.000482973	0	0	0	0	0.126951093	0.132452788	0.102289892	0.115076957	0.07679397	0.071357808	0.069815452	0.15	0.3	0.6	1.25	2.5	5	10	20
Resolvin D3	0.040882487	0.035413806	0.030941552	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	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.030946528	0.032853414	0.018689298	0.02860674	0.02346495	0.022665121	0.017721603	0.15	0.3	0.6	1.25	2.5	5	10	20
Resolvin E1	0.017695575	0.01828609	0.014922086	0.019237265	0.018136684	0.021404669	0.015589206	0.018420156	0.018554019	0.013274644	0.016715859	0.027962541	0.019743789	0.022535911	0.0243557	0.019547943	0.018937506	0.020430326	0.018648573	0.018671892	0.014974823	0.017340623	0.021901338	0.020415454	0.022144856	0.022937069	0.020071257	0.018407144	0.021444379	0.019462415	0.021423537	0.01549989	0.018775348	0.022413376	0.021968498	0.021286557	0.020841736	0.019775809	0.019422625	0.019037524	0.018959276	0.014683834	0.014232794	0.016707011	0.019807426	0.022038971	0.017747437	0.01903455	0.018737322	0.01438824	0.018067636	0.016960463	0.016477496	0.013902855	0.016150471	0.022088036	0.021254397	0.018571811	0.016357542	0.019720942	0.016658798	0.001967747	0	0.001856085	0.012003566	0.014807442	0.014371419	0.015948559	0.009810629	0.012138141	0.008638758	0.15	0.3	0.6	1.25	2.5	5	10	20
TXB2	0.020332727	0.024501137	0.021515663	0	0	0	0	0	0	0	0	0	0	0.006457994	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	0.00099951	0	0	0	0	0	0	0	0.017119051	0.019325906	0.013415465	0.015895368	0.011892267	0.014163419	0.019135228	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
13S-HOTrE(gamma)	C18H30O3	293.3	294.2194948	13S-HOTrE(gamma)	5.4
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
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
Resolvin E1	C20H30O5	349	350.2093241	Resolvin E1	4.9
TXB2	C20H34O6	369.2	370.2355	TXB2	3.9
METABOLITES_END
#END