#METABOLOMICS WORKBENCH efahy_20230425_000012 DATATRACK_ID:3904 STUDY_ID:ST002593 ANALYSIS_ID:AN004265 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
ST:STUDY_TITLE                   	Gastrocnemius Powder - 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_77	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=MoTrPAC_GAS_pass1b_pos_V1-20200828.wiff
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#COLLECTION
CO:SAMPLE_TYPE                   	Gastrocnemius
#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	90229015511	90571015511	90280015511	90265015511	90585015511	90281015511	90412015511	90223015511	90251015511	90227015511	QC_18	90423015511	90444015511	90439015511	90248015511	90292015511	90239015511	90560015511	90421015511	90567015511	90449015511	QC_29	90217015511	90225015511	90232015511	90578015511	90266015511	90576015511	90237015511	90406015511	90252015511	90259015511	QC_40	90426015511	90245015511	90441015511	90258015511	90559015511	90254015511	90420015511	90450015511	90422015511	90416015511	QC_51	90564015511	90289015511	90218015511	90410015511	90581015511	90267015511	90430015511	90587015511	90283015511	90222015511	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
Behenoyl-EA	0.034224008	0.036036217	0.030186543	0.033985722	0.036491601	0.034023748	0.032586201	0.031373006	0.030735783	0.030007647	0.029590438	0.028214363	0.029491331	0.029245519	0.029561347	0.02935968	0.029290799	0.029502572	0.028907913	0.028952108	0.029350839	0.02837509	0.028726616	0.028756475	0.028716122	0.028858722	0.027442842	0.029575956	0.029257107	0.028054966	0.027515859	0.028482224	0.0284896	0.028121193	0.028303446	0.028275442	0.027589388	0.02839346	0.0266074	0.029127983	0.027279814	0.028837049	0.028596847	0.028226948	0.029162353	0.027511894	0.028827529	0.028266102	0.028500687	0.028051458	0.028405616	0.029207402	0.028745536	0.028385658	0.028830687	0.029068009	0.028958361	0.028620255	0.027673123	0.028937082	0.02959537	0.027241788	0.02991011	0.026502296	0.027892136	0.028290404	0.028548136	0.027339455	0.047303535	0.181686047	0.363372093	0.726744186	1.453488372	2.906976744	5.813953488	11.62790698	23.25581395	0.044198417	0
Oleoyl-EA	0.002877172	0.002931476	0.002395595	2.9567e-05	4.52185e-05	0.000106674	0.000237199	0.000340437	8.96475e-05	5.5258e-05	4.84575e-05	7.73268e-05	8.70143e-05	0.000102058	3.98508e-05	4.45233e-05	0.000223188	0.000105378	3.97073e-05	0.000101962	0.000196124	9.17313e-05	0.000254775	0.00027359	7.10008e-05	1.89e-05	0.000180958	4.24393e-05	0.000202279	0.000240667	0.0001271	0.00019547	4.6166e-05	0.000108569	0.0001743	0.000183849	0.000193384	0.000163037	0.000552922	0.000212366	4.0683e-05	0.000142374	0.000182855	8.63995e-05	8.1891e-05	0.000226309	0.000246222	5.1611e-05	4.43405e-05	5.007e-05	8.45903e-05	7.4789e-05	0.000224069	0.000180819	3.72565e-05	0.000158081	5.31938e-05	0.000224804	5.67178e-05	0.000177399	3.35883e-05	0.000106893	1.305e-05	4.2285e-05	0	0.000578747	9.00573e-05	0	0	0.016351744	0.032703488	0.065406977	0.130813953	0.261627907	0.523255814	1.046511628	2.093023256	1.5925e-06	1.2925e-05
Stearoyl-EA	0.011556326	0.008348739	0.006492245	0.003131219	0.003086039	0.002679091	0.002635659	0.002814235	0.002300078	0.002021428	0.002099416	0.002372977	0.0021062	0.002096069	0.001895431	0.001843453	0.002913516	0.00181367	0.001753089	0.002474434	0.044882335	0.001886979	0.001746155	0.00172012	0.00176539	0.001602435	0.002415284	0.001678177	0.00184263	0.0016943	0.001418162	0.001570308	0.001544341	0.001972282	0.001499113	0.001535751	0.001576349	0.00149228	0.002548632	0.001697498	0.001567452	0.001756061	0.001492759	0.001514365	0.001569763	0.001604282	0.001539068	0.001579027	0.001686889	0.001500353	0.001434568	0.001661364	0.001448675	0.001471177	0.001485051	0.001825297	0.001499715	0.001551025	0.001593857	0.002359236	0.001531261	0.001490506	0.001416493	0.001518806	0.00132404	0.001803093	0.001408764	0.001362985	0.004381534	0.175629845	0.35125969	0.70251938	1.40503876	2.810077519	5.620155039	11.24031008	22.48062016	0.005326952	0.005546957
Docosatetraenoyl-EA	0.000580219	0.000478547	0.000392891	0.000291325	0.000356034	0.000267639	0.000237226	0.000261485	0.000225071	0.000176292	0.000217497	0.000178015	0.000163129	0.000166224	0.000163047	0.000156369	0.000227946	0.000247142	0.000141866	0.000182944	0.000149897	0.000169507	0.000136479	0.000140107	0.000155251	0.000143469	0.000151548	0.000155178	0.000142462	0.000147181	0.000136048	0.000139161	0.000144797	0.000148611	0.000131449	0.000156308	0.000133957	0.000137268	0.000155166	0.0001372	0	0.000130309	0	0	0	0	0.000138532	0.000143998	0.000197181	0	0	0	0.000132664	0.000138319	0.000135154	0.000145422	0	0	0	0.000139264	0	0	0	0.000125031	0	0.000223357	0	0	0.000176285	0.172601744	0.345203488	0.690406977	1.380813953	2.761627907	5.523255814	11.04651163	22.09302326	0.000285394	0.000291654
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
Oleoyl-EA	C20H39NO2	326.4	325.2981	Oleoyl-EA	6.7
Behenoyl-EA	C24H49NO2	384	383.3763	Behenoyl-EA	11.76
Stearoyl-EA	C20H41NO2	328	327.3137	Stearoyl-EA	8.64
Docosatetraenoyl-EA	C24H41NO2	376	375.3137	Docosatetraenoyl-EA	6.45
METABOLITES_END
#END