{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002628","ANALYSIS_ID":"AN004300","VERSION":"1","CREATED_ON":"07-31-2023"},

"PROJECT":{"PROJECT_TITLE":"MoTrPAC","PROJECT_SUMMARY":"The Molecular Transducers of Physical Activity Consortium (MoTrPAC) aims to elucidate how exercise improves health and ameliorates diseases by buildinga map of the molecular responses to acute and chronic exercise. MoTrPAC is a multi-site collaboration across the US encompassing various scientific disciplines: preclinical animal study sites and human clinical exercise sites, which perform the exercise testing and biospecimen collection; a consortium coordinating center and biorepository, which manages sample collection, distribution of samples, and consortium logistics; chemical analysis sites, which are responsible for omics analysis from the samples collected; and a bioinformatics center to collaboratively analyze and map the data generated by the other sites along with data dissemination to make the data and other resources available to the public. The animal studies enable analysis of the effects of exercise on many different tissues that are not readily obtainable inhumans, whereas the collection of accessible human tissues (muscle, blood, and adipose) will permit the analysis of the direct effect of exercise in humans. Additional information can be found at the main consortium page (https://motrpac.org) or at the data portal (https://motrpac-data.org)","INSTITUTE":"MoTrPAC","LAST_NAME":"Ashley","FIRST_NAME":"Euan","ADDRESS":"Falk Building CV267, 870 Quarry Road, Stanford, California 94305","EMAIL":"motrpac-helpdesk@lists.stanford.edu","PHONE":"(650) 725-1846","DOI":"http://dx.doi.org/10.21228/M8V97D"},

"STUDY":{"STUDY_TITLE":"MoTrPAC: Endurance exercise training study in young adult rats, Tissue:Plasma - Untargeted HILIC-Positive","STUDY_SUMMARY":"The goal of the endurance exercise training study in young adult rats (internal code: PASS1B-06) was to perform exercise training studies in adult (6 month) F344 rats, and from these rats collect as many tissues as feasible in order to provide high quality samples for detailed analysis by chemical analysis sites. Tissues were collected from 10-12 rats sedentary control rats concurrent with the collection of the 8-week training groups. The 8-week training group and controls were from the same cohort and same age at euthanasia (either 8). For the older age group, an additional set of controls (n=5-6) were collected with the 1-2 week training group. Rats were either sedentary or underwent an exercise training program. Rats were exercised on the rodent treadmill 5 days per week using a progressive training protocol designed to exercise the rats at approximately 70% of VO2max as outlined in the Table on the next page. Training was performed no earlier than 10:00 am and no later than 5:00 pm over 5 consecutive days per week. Training was initiated with the treadmill set at 70% of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of exercise was increased by one minute each day until day 31 of training (start of week 7), when a duration of 50 min was reached. Speed and grade of each training session increased in larger increments due to treadmill parameters. The highest intensity and duration of training began on day 31. This intensity was maintained for the final 10 days of the protocol to ensure steady state had been achieved. If any rats were unable to perform at least 4 days of training per week they were removed from the study and euthanized. It is important to note that the starting treadmill speed varied depending on the sex and age of the rat. The initial and maximum speeds were based on VO2max measurements obtained during the pre-training testing of the compliant rats. Rats assigned to the control group followed a schedule similar to the training group. They were placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The treadmill was set at 0 m/min at an incline that corresponded to the incline being used by the training group.","INSTITUTE":"Broad Institute of MIT and Harvard","DEPARTMENT":"Metabolomics Platform","LABORATORY":"Clish","LAST_NAME":"Clish","FIRST_NAME":"Clary","ADDRESS":"415 Main St, Cambridge, MA 02142","EMAIL":"clary@broadinstitute.org","PHONE":"(617) 714-7654","SUBMIT_DATE":"2023-04-28"},

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"Sample ID":"90223013104",
"Factors":{"Group":"Training","Timepoint":"8 weeks of training or control time","Sex":"Male","Tissue":"Rat Plasma"},
"Additional sample data":{"Sample_Data:raw_file":"0053_MoTrPAC_PASS1B_HP-90223013104-EDT.raw"}
},
{
"Subject ID":"3719CB62-B551-49BE-94A0-E51DFE13D30D",
"Sample ID":"90225013104",
"Factors":{"Group":"Training","Timepoint":"8 weeks of training or control time","Sex":"Male","Tissue":"Rat Plasma"},
"Additional sample data":{"Sample_Data:raw_file":"0054_MoTrPAC_PASS1B_HP-90225013104-EDT.raw"}
},
{
"Subject ID":"F65955CE-E49F-48C7-B861-02A2FDF6F9B8",
"Sample ID":"90227013104",
"Factors":{"Group":"Training","Timepoint":"8 weeks of training or control time","Sex":"Male","Tissue":"Rat Plasma"},
"Additional sample data":{"Sample_Data:raw_file":"0055_MoTrPAC_PASS1B_HP-90227013104-EDT.raw"}
}
],
"COLLECTION":{"SAMPLE_TYPE":"Plasma"},

"TREATMENT":{"TREATMENT_SUMMARY":"-"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Plasma samples (10 µL) were extracted using 90 µL of 74.9:24.9:0.2 (v/v/v) acetonitrile/methanol/formic acid containing stable isotope-labeled internal standards (0.2 ng/µL valine-d8, Isotec; 0.2 ng/µL phenylalanine-d8, Cambridge Isotope Laboratories). The samples were centrifuged (10 min, 9000g, 4?C) and the supernatants were transferred to autosampler vials with de-activated inserts (Waters).","SAMPLEPREP_PROTOCOL_FILENAME":"pass1b_experimental_design_metabolomics.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Extracts (10 µL) were injected onto a 150 x 2.1 mm Atlantis HILIC column (Waters). The column was eluted isocratically at a flow rate of 250 µL/min with 5% mobile phase A (10 mM ammonium formate and 0.1% formic acid in water) for 1 minute followed by a linear gradient to 40% mobile phase B (acetonitrile with 0.1% formic acid) over 10 minutes","METHODS_FILENAME":"pass1b_hilicpos_methods.pdf","INSTRUMENT_NAME":"Shimadzu Nexera X2","COLUMN_NAME":"Waters Atlantis HILIC (150 x 2.1mm,3um)","COLUMN_TEMPERATURE":"-","FLOW_GRADIENT":"The column was eluted isocratically at a flow rate of 250 µL/min with 5% mobile phase A for 1 minute followed by a linear gradient to 40% mobile phase B over 10 minutes","FLOW_RATE":"250 µL/min","SOLVENT_A":"100% water; 0.1% formic acid; 10 mM ammonium formate","SOLVENT_B":"100% acetonitrile; 0.1% formic acid","CHROMATOGRAPHY_TYPE":"HILIC"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","MS_COMMENTS":"High resolution, accurate mass data were acquired using a system comprised of a Shimadzu Nexera X2 U-HPLC (Shimadzu Corp.; Marlborough, MA) coupled to a Q Exactive hybrid quadrupole orbitrap mass spectrometer (Thermo Fisher Scientific; Waltham, MA). MS analyses were carried out using electrospray ionization in the positive ion mode using full scan analysis over 70-800 m/z at 70,000 resolution and 3 Hz data acquisition rate. Other MS settings were: sheath gas 40, sweep gas 2, spray voltage 3.5 kV, capillary temperature 350°C, S-lens RF 40, heater temperature 300°C, microscans 1, automatic gain control target 1e6, and maximum ion time 250 ms. Raw data were processed using TraceFinder software (Thermo Fisher Scientific; Waltham, MA) and Progenesis QI (Nonlinear Dynamics; Newcastle upon Tyne, UK). The identities of 202 profiled metabolites were confirmed using reference standards.","ION_MODE":"POSITIVE"},

"MS_METABOLITE_DATA":{
"Units":"peak area",

"Data":[{"Metabolite":"1-methyladenosine","90245013104":"618852.0000","90248013104":"512085.0000","90252013104":"626874.0000","90265013104":"353177.0000","90266013104":"585235.0000","90217013104":"743289.0000","90229013104":"470597.0000","90232013104":"620421.0000","90237013104":"626243.0000","90239013104":"460165.0000","QC_PREFA01":"625194.0000","QC_PREFA02":"625194.0000","QC_PREFA03":"625194.0000","QC_PREFA04":"625194.0000","QC_PREFB01":"625194.0000","QC_PREFB02":"555650.0000","QC_PREFB03":"595472.0000","QC_PREFB04":"726107.0000","QC_IPE01":"696253.0000","QC_IPE02":"661218.0000","QC_IPE03":"732484.0000","QC_IPE04":"754989.0000","QC_Sed01":"445489.0000","QC_Sed02":"432979.0000","QC_Sed03":"387407.0000","QC_Sed04":"353094.0000","90559013104":"635936.0000","90560013104":"714737.0000","90564013104":"976877.0000","90567013104":"899796.0000","90571013104":"882171.0000","90421013104":"774959.0000","90422013104":"678193.0000","90423013104":"744594.0000","90426013104":"817410.0000","90430013104":"584713.0000","90576013104":"849106.0000","90578013104":"824639.0000","90581013104":"951933.0000","90585013104":"661108.0000","90587013104":"881082.0000","90439013104":"788461.0000","90441013104":"663795.0000","90444013104":"685081.0000","90449013104":"563407.0000","90450013104":"603935.0000","90406013104":"538948.0000","90410013104":"585288.0000","90412013104":"449879.0000","90416013104":"680770.0000","90420013104":"494063.0000","90280013104":"345131.0000","90281013104":"454335.0000","90283013104":"652529.0000","90289013104":"440865.0000","90292013104":"626884.0000","90251013104":"669757.0000","90254013104":"605269.0000","90258013104":"426898.0000","90259013104":"416383.0000","90267013104":"554258.0000","90218013104":"526924.0000","90222013104":"555182.0000","90223013104":"500383.0000","90225013104":"449802.0000","90227013104":"556043.0000"},{"Metabolite":"1-methylguanosine","90245013104":"1960.0000","90248013104":"1889.0000","90252013104":"1220.0000","90265013104":"1676.0000","90266013104":"1163.0000","90217013104":"898.0000","90229013104":"839.0000","90232013104":"736.0000","90237013104":"1121.0000","90239013104":"591.0000","QC_PREFA01":"1296.0000","QC_PREFA02":"1296.0000","QC_PREFA03":"1296.0000","QC_PREFA04":"1296.0000","QC_PREFB01":"1296.0000","QC_PREFB02":"1556.0000","QC_PREFB03":"1225.0000","QC_PREFB04":"1763.0000","QC_IPE01":"773.0000","QC_IPE02":"1029.0000","QC_IPE03":"1242.0000","QC_IPE04":"1850.0000","QC_Sed01":"","QC_Sed02":"743.0000","QC_Sed03":"633.0000","QC_Sed04":"769.0000","90559013104":"1699.0000","90560013104":"1574.0000","90564013104":"2130.0000","90567013104":"3797.0000","90571013104":"2047.0000","90421013104":"1152.0000","90422013104":"818.0000","90423013104":"1269.0000","90426013104":"1541.0000","90430013104":"902.0000","90576013104":"1888.0000","90578013104":"1837.0000","90581013104":"1286.0000","90585013104":"1520.0000","90587013104":"1212.0000","90439013104":"974.0000","90441013104":"1128.0000","90444013104":"534.0000","90449013104":"1969.0000","90450013104":"1390.0000","90406013104":"1516.0000","90410013104":"1325.0000","90412013104":"1314.0000","90416013104":"1579.0000","90420013104":"1742.0000","90280013104":"1147.0000","90281013104":"1053.0000","90283013104":"691.0000","90289013104":"109.0000","90292013104":"875.0000","90251013104":"1206.0000","90254013104":"1385.0000","90258013104":"1935.0000","90259013104":"994.0000","90267013104":"1304.0000","90218013104":"689.0000","90222013104":"543.0000","90223013104":"706.0000","90225013104":"846.0000","90227013104":"1584.0000"},{"Metabolite":"1-methylnicotinamide","90245013104":"677369.0000","90248013104":"535105.0000","90252013104":"677594.0000","90265013104":"734439.0000","90266013104":"854822.0000","90217013104":"656020.0000","90229013104":"605239.0000","90232013104":"808843.0000","90237013104":"819589.0000","90239013104":"737593.0000","QC_PREFA01":"781427.0000","QC_PREFA02":"781427.0000","QC_PREFA03":"781427.0000","QC_PREFA04":"781427.0000","QC_PREFB01":"781427.0000","QC_PREFB02":"775838.0000","QC_PREFB03":"745965.0000","QC_PREFB04":"771833.0000","QC_IPE01":"577346.0000","QC_IPE02":"566709.0000","QC_IPE03":"633750.0000","QC_IPE04":"651516.0000","QC_Sed01":"510346.0000","QC_Sed02":"517428.0000","QC_Sed03":"538720.0000","QC_Sed04":"544972.0000","90559013104":"663362.0000","90560013104":"456202.0000","90564013104":"639533.0000","90567013104":"846432.0000","90571013104":"698695.0000","90421013104":"855796.0000","90422013104":"672327.0000","90423013104":"765447.0000","90426013104":"980655.0000","90430013104":"742733.0000","90576013104":"831912.0000","90578013104":"815997.0000","90581013104":"576202.0000","90585013104":"702700.0000","90587013104":"647627.0000","90439013104":"801806.0000","90441013104":"766997.0000","90444013104":"754369.0000","90449013104":"662758.0000","90450013104":"783310.0000","90406013104":"706966.0000","90410013104":"633009.0000","90412013104":"554255.0000","90416013104":"781065.0000","90420013104":"764955.0000","90280013104":"610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