#METABOLOMICS WORKBENCH efahy_20230425_000019 DATATRACK_ID:3914 STUDY_ID:ST002599 ANALYSIS_ID:AN004271 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 Heart Powder
ST:STUDY_TITLE                   	- Targeted Ethanolamides
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_Standard_81	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=MoTrPAC_heart_pass1b_pos_V1-20200828.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_82	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=MoTrPAC_heart_pass1b_pos_V1-20200828.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_83	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=MoTrPAC_heart_pass1b_pos_V1-20200828.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_84	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=MoTrPAC_heart_pass1b_pos_V1-20200828.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_85	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=MoTrPAC_heart_pass1b_pos_V1-20200828.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_86	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=MoTrPAC_heart_pass1b_pos_V1-20200828.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_87	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=MoTrPAC_heart_pass1b_pos_V1-20200828.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_Standard_88	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=MoTrPAC_heart_pass1b_pos_V1-20200828.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_blank_89	Group:QC-Blank | Timepoint:0 hour | Sex:-	raw_file=MoTrPAC_heart_pass1b_pos_V1-20200828.wiff
SUBJECT_SAMPLE_FACTORS           	-	QC_blank_90	Group:QC-Blank | Timepoint:0 hour | Sex:-	raw_file=MoTrPAC_heart_pass1b_pos_V1-20200828.wiff
#COLLECTION
CO:SAMPLE_TYPE                   	Heart
#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_4	G_QC_1_5	G_QC_2_6	QC_7	90245015809	90410015809	90251015809	90227015809	90420015809	90223015809	90237015809	90564015809	90283015809	90406015809	QC_18	90280015809	90232015809	90267015809	90258015809	90292015809	90281015809	90265015809	90218015809	90567015809	90587015809	QC_29	90259015809	90450015809	90576015809	90430015809	90266015809	90416015809	90423015809	90578015809	90560015809	90225015809	QC_40	90412015809	90421015809	90571015809	90439015809	90217015809	90289015809	90449015809	90585015809	90222015809	90254015809	QC_51	90422015809	90559015809	90248015809	90229015809	90444015809	90426015809	90581015809	90239015809	90252015809	90441015809	QC_62	G_QC_1_63	G_QC_2_64	QC_blank_65	QC_SRM	QC_67	QC_blank_68	QC_blank_69	QC_Standard_70	QC_Standard_71	QC_Standard_72	QC_Standard_73	QC_Standard_74	QC_Standard_75	QC_Standard_76	QC_Standard_77	QC_blank_78	QC_blank_79	QC_blank_80	QC_Standard_81	QC_Standard_82	QC_Standard_83	QC_Standard_84	QC_Standard_85	QC_Standard_86	QC_Standard_87	QC_Standard_88	QC_blank_89	QC_blank_90
Linoleoyl-EA	0.008793187	0.0100372	0.009714737	0.001720767	0.001830626	0.0018873	0.001102867	0.00117627	0.001160404	0.001198764	0.001213688	0.001233834	0.000896506	0.001498356	0.001262795	0.000781486	0.000886692	0.002475164	0.001345768	0.001204663	0.001131863	0.001015834	0.000915018	0.001039021	0.001261534	0.001022254	0.001026592	0.001222269	0.000509955	0.001031417	0.000951052	0.00095099	0.000903298	0.000744862	0.000725298	0.000693303	0.000508977	0.00105688	0.00057006	0.000279443	0.000608146	0.000450638	0.000698053	0.000461779	0.000570324	0.000424054	0.000518908	0.000553103	0.000517262	0.000529149	0.000536892	0.000472195	0.000597707	0.000532682	0.000503905	0.000525942	0.000488644	0.000515639	0.000444634	0.000501006	0.000350349	0.001071189	0.000728587	0.001329469	4.51e-05	4.49e-05	0.000299541	4.11e-05	0.000364783	0.073610976	0.01289955	0.142047152	0.000400452	0.69731405	1.422652466	0.998500626	0.996396486	0.001708919	0.001758842	0.00080716	0.172601744	0.345203488	0.690406977	1.380813953	2.761627907	5.523255814	11.04651163	22.09302326	0.00065983	0.000746597
Dihomo-gamma-linolenoyl-EA	0.000873677	0.001064633	0.001523606	0.001163334	0.000936629	0.000777964	0.000556081	0.000544276	0.000290389	0.000288712	0.000319432	0.000299435	0.000226027	0.000473173	0.000300635	0.000199935	0.000128769	0.000244533	0.000448825	0.000444766	0.000317547	0.000273002	0.000280264	0.000187748	0.000316458	0.000157557	0.00013621	0.000246836	0.00020387	0.000163342	0.000123259	0.000137399	0.000126796	0.000106192	9.36e-05	0.000139849	8.63e-05	0.000441846	8.71e-05	8.32e-05	4.65e-05	6.6657e-05	8.72e-05	4.06e-05	6.4816e-05	5.75e-05	5.95e-05	7.3e-05	3.54e-05	7.01e-05	8.3724e-05	8.86e-05	7.73e-05	5.01e-05	9.45e-05	5.07e-05	5.73e-05	0.00013254	7.26e-05	5.39e-05	6.29e-05	4.15e-05	4.52e-05	4.6546e-05	3.07e-05	2.1875e-05	1.7e-05	2.1375e-05	0.000230618	0.053311841	0.001896806	0.056104863	0.000252596	0.541880662	1.415372503	1.034347123	1.03589284	0.001210713	0.001299089	0.000795258	0.172601744	0.345203488	0.690406977	1.380813953	2.761627907	5.523255814	11.04651163	22.09302326	0.000522654	0.000608131
Arachidonoyl-EA	0.001199423	0.001466206	0.001920685	0.001255024	0.001041821	0.001091949	0.000630376	0.000624671	0.000564654	0.000516301	0.000520917	0.000544297	0.000411214	0.000811124	0.000600946	0.000368086	0.00033674	0.000267701	0.000629671	0.000634314	0.000514894	0.000404628	0.000428116	0.000321275	0.000559527	0.000381394	0.000340569	0.000546042	0.000214713	0.000379557	0.00032397	0.000358466	0.000362488	0.000246259	0.000239139	0.000272218	0.000193111	0.000600074	0.000205413	8.12e-05	0.000183589	0.000147043	0.000217397	0.000162312	0.000207773	0.000150068	0.000157608	0.000190221	0.000155749	0.000168965	8.8105e-05	0.000180677	0.00019167	0.000157179	0.000182906	0.000191001	0.000172511	0.000221346	0.000153215	0.000150617	0.000161454	6.41e-05	0.000241451	0.000433814	3.28e-05	2.135e-05	3.39e-05	2.5255e-05	0.000268821	0.078552165	0.009248622	0.15094176	0.000301158	0.592108296	1.297050965	0.772457447	0.786751014	0.001553484	0.001472173	0.000924925	0.163517442	0.327034884	0.654069767	1.308139535	2.61627907	5.23255814	10.46511628	20.93023256	0.000515094	0.000670242
Docosahexenoyl-EA	0.000716941	0.000834293	0.000934122	0.000566099	0.000604742	0.000783427	0.000354976	0.000507998	0.000745591	0.000752931	0.000668679	0.000738864	0.000547185	0.000510098	0.000734745	0.000504713	0.000719295	0.000646717	0.0007647	0.000530328	0.000870333	0.000595195	0.000523374	0.000664313	0.000645381	0.0007752	0.000682664	0.000861569	0.000123525	0.000664327	0.000701304	0.000771022	0.000717829	0.000528612	0.000497932	0.000340766	0.00035655	0.000517888	0.000426469	7.89e-05	0.000480732	0.000312618	0.000497127	0.000299967	0.000250476	0.000192898	0.000283801	0.000330478	0.000309042	0.000450876	0.000128064	0.000279115	0.000342482	0.000325367	0.000316678	0.000428348	0.000287156	0.000274314	0.000224292	0.000318781	0.000244969	0.00021696	0.000444131	0.001150114	0	0	6.69e-05	0	0.000142167	0.047381936	0.003467441	0.081116332	0.000127971	0.385723571	1.717631578	4.032753128	3.704722295	0.000815594	0.000764024	0.000539259	0.172601744	0.345203488	0.690406977	1.380813953	2.761627907	5.523255814	11.04651163	22.09302326	0.000319481	0.000348959
alpha-Linolenoyl-EA	0.000954645	0.001357733	0.001590701	0.001220525	0.001039296	0.000810755	0.000558871	0.000461768	0.000316981	0.000233062	0.000269021	0.000230353	0.000188382	0.000587344	0.000324962	0.000234151	9.3853e-05	0.000226823	0.000283423	0.000352847	0.000269508	0.000256204	0.000294748	0.000127529	0.000446461	0.000123936	0.000103506	0.000358803	0.000145682	8.22e-05	7.47e-05	0.00010537	0.000109567	7.1787e-05	7.28e-05	0.000107796	5.3e-05	0.000363227	4.42e-05	6.24e-05	3.8656e-05	4.98e-05	8.44e-05	4.4508e-05	7.08e-05	2.9e-05	4.44e-05	4.31e-05	3.92e-05	4.27e-05	8.6669e-05	7.2e-05	4.98e-05	4.35e-05	6.08e-05	3.66e-05	3.5379e-05	0.000115595	4.61e-05	4.6468e-05	4.42e-05	5.7e-05	3.74e-05	3.87e-05	2.1e-05	1.0625e-05	2.69e-05	1.615e-05	0.000241672	0.073499136	0.049131476	0.225443411	0.000345497	0.782246154	1.528783821	1.197228169	1.137357458	0.001307763	0.001287754	0.000642258	0.172601744	0.345203488	0.690406977	1.380813953	2.761627907	5.523255814	11.04651163	22.09302326	0.00044685	0.000563321
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
Arachidonoyl-EA	C22H37NO2	348.2	347.2824	Arachidonoyl-EA	5.59
Docosahexenoyl-EA	C24H37NO2	372.3	371.2824	Docosahexenoyl-EA	6.47
Linoleoyl-EA	C20H37NO2	324.3	323.2824	Linoleoyl-EA	5.66
Dihomo-gamma-linolenoyl-EA	C22H39NO2	350.2	349.2981	Dihomo-gamma-linolenoyl-EA	6.01
alpha-Linolenoyl-EA	C20H35NO2	322.3	321.2668	alpha-Linolenoyl-EA	5.06
METABOLITES_END
#END