#METABOLOMICS WORKBENCH  DATATRACK_ID:3888 STUDY_ID:ST002581 ANALYSIS_ID:AN004252
VERSION                          	1
CREATED_ON                       	04-27-2023
#PROJECT
PR:PROJECT_TITLE                 	MoTrPAC
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
PR:ADDRESS                       	Falk Building CV267, 870 Quarry Road, Stanford, California 94305
PR:EMAIL                         	motrpac-data-deposition@lists.stanford.edu
PR:PHONE                         	(650) 725-1846
PR:DOI                           	http://dx.doi.org/10.21228/M8V97D
#STUDY
ST:STUDY_TITLE                   	MoTrPAC: Endurance exercise training study in young adult rats, Rat Plasma -
ST:STUDY_TITLE                   	Targeted Keto Acids
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                     	Duke University
ST:DEPARTMENT                    	Duke Molecular Physiology Institute
ST:LABORATORY                    	Metabolomics Core Laboratory
ST:LAST_NAME                     	Newgard
ST:FIRST_NAME                    	Christopher
ST:ADDRESS                       	300 N Duke St, Durham, NC 27701
ST:EMAIL                         	chris.newgard@duke.edu
ST:PHONE                         	(919) 668-6059
ST:SUBMIT_DATE                   	2023-04-25
#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           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245013108	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a036.zip
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248013108	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a052.zip
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252013108	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a055.zip
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265013108	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a034.zip
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266013108	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a050.zip
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217013108	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a031.zip
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229013108	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a067.zip
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232013108	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a060.zip
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237013108	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a054.zip
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239013108	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a056.zip
SUBJECT_SAMPLE_FACTORS           	-	80014813102_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motorpac_PASS1B_Plasma_072720_a044.zip
SUBJECT_SAMPLE_FACTORS           	-	80014813102_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motorpac_PASS1B_Plasma_072720_a063.zip
SUBJECT_SAMPLE_FACTORS           	-	80014813102_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motorpac_PASS1B_Plasma_072720_a081.zip
SUBJECT_SAMPLE_FACTORS           	-	80015823102_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motorpac_PASS1B_Plasma_072720_a026.zip
SUBJECT_SAMPLE_FACTORS           	-	80015823102_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motorpac_PASS1B_Plasma_072720_a045.zip
SUBJECT_SAMPLE_FACTORS           	-	80015823102_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motorpac_PASS1B_Plasma_072720_a064.zip
SUBJECT_SAMPLE_FACTORS           	-	80015823102_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motorpac_PASS1B_Plasma_072720_a082.zip
SUBJECT_SAMPLE_FACTORS           	-	80014813102_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- | Tissue:-	raw_file=Motorpac_PASS1B_Plasma_072720_a025.zip
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559013108	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a032.zip
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560013108	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a048.zip
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564013108	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a046.zip
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567013108	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a051.zip
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571013108	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a057.zip
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421013108	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a040.zip
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422013108	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a041.zip
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423013108	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a049.zip
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426013108	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a058.zip
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430013108	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a028.zip
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576013108	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a033.zip
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578013108	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a027.zip
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581013108	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a076.zip
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585013108	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a073.zip
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587013108	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a080.zip
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439013108	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a078.zip
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441013108	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a069.zip
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444013108	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a038.zip
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449013108	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a035.zip
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450013108	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a037.zip
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406013108	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a068.zip
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410013108	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a072.zip
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412013108	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a079.zip
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416013108	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a061.zip
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420013108	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a053.zip
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280013108	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a070.zip
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281013108	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a062.zip
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283013108	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a042.zip
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289013108	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a043.zip
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292013108	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a029.zip
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251013108	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a030.zip
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254013108	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a059.zip
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258013108	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a039.zip
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259013108	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a075.zip
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267013108	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motorpac_PASS1B_Plasma_072720_a071.zip
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218013108	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a066.zip
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222013108	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a047.zip
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223013108	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a074.zip
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225013108	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a077.zip
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227013108	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motorpac_PASS1B_Plasma_072720_a065.zip
#COLLECTION
CO:SAMPLE_TYPE                   	Plasma
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	10 µl of plasma or 300 µl of tissue homogenate prepared at 100 mg/ml in 3M
SP:SAMPLEPREP_SUMMARY            	perchloric acid containing isotopically labeled internal standards KIC-d3,
SP:SAMPLEPREP_SUMMARY            	KIV-5C13, (Cambridge Isotope Laboratories), and KMV-d8 (Toronto Research
SP:SAMPLEPREP_SUMMARY            	Chemicals) are precipitated with 150 µl of 3M PCA. 200 µl of 25 M
SP:SAMPLEPREP_SUMMARY            	o-phenylenediamine (OPD) in 3M HCl is added to the supernatants and the samples
SP:SAMPLEPREP_SUMMARY            	are incubated at 80oC for 20 minutes. Keto acids are extracted with ethyl
SP:SAMPLEPREP_SUMMARY            	acetate. The extracts are dried under nitrogen and reconstituted in 200 mM
SP:SAMPLEPREP_SUMMARY            	ammonium acetate.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The analytical column is used at 30°C. 10 µl of the sample are injected onto
CH:CHROMATOGRAPHY_SUMMARY        	the column and eluted at a flow rate of 0.4 ml/min. The gradient begins with 45%
CH:CHROMATOGRAPHY_SUMMARY        	eluent A (5 mM ammonium acetate in water) and is then programmed as follows: 0
CH:CHROMATOGRAPHY_SUMMARY        	to 2 min – gradient to 55% eluent B (methanol); 2 to 2.5 min - gradient to 95%
CH:CHROMATOGRAPHY_SUMMARY        	eluent B; 2.5 to 3.2 min - hold at 95% eluent B, return to 45% A, and
CH:CHROMATOGRAPHY_SUMMARY        	re-equilibrate the column at initial conditions for 1 minute.
CH:INSTRUMENT_NAME               	Waters Acquity UPLC
CH:COLUMN_NAME                   	Waters Acquity UPLC BEH C18 Column, 1.7 µm, 2.1 × 50 mm
CH:COLUMN_TEMPERATURE            	30C
CH:FLOW_GRADIENT                 	45% A and 55% B for 2 minutes, followed by a linear gradient to 95% B from 2 to
CH:FLOW_GRADIENT                 	2.5 minutes, held at 95% B for 0.7 minutes, returned to 45% A, and finally the
CH:FLOW_GRADIENT                 	column was re-equilibrated at initial conditions for 1 minute. The total run
CH:FLOW_GRADIENT                 	time was 4.7 minutes.
CH:FLOW_RATE                     	0.4 ml/min
CH:SOLVENT_A                     	100% water; 5 mM ammonium acetate
CH:SOLVENT_B                     	100% methanol
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Waters Xevo TQ-S
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	Mass transitions of m/z 203 -> 161 (ketoleucine or KIC), 206 -> 161
MS:MS_COMMENTS                   	(KIC-d3), 189 -> 174 (ketoisovalerate or KIV), 194 -> 178 (KIV-5C13), 203
MS:MS_COMMENTS                   	-> 174 (3-methyl-2-oxovalerate or KMV), and 211 -> 177 (KMV-d8) are
MS:MS_COMMENTS                   	monitored in a positive ion electrospray ionization mode.
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	micromole/L
MS_METABOLITE_DATA_START
Samples	90245013108	90248013108	90252013108	90265013108	90266013108	90217013108	90229013108	90232013108	90237013108	90239013108	80014813102_2	80014813102_3	80014813102_4	80015823102_1	80015823102_2	80015823102_3	80015823102_4	80014813102_1	90559013108	90560013108	90564013108	90567013108	90571013108	90421013108	90422013108	90423013108	90426013108	90430013108	90576013108	90578013108	90581013108	90585013108	90587013108	90439013108	90441013108	90444013108	90449013108	90450013108	90406013108	90410013108	90412013108	90416013108	90420013108	90280013108	90281013108	90283013108	90289013108	90292013108	90251013108	90254013108	90258013108	90259013108	90267013108	90218013108	90222013108	90223013108	90225013108	90227013108
Factors	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- | Tissue:-	Group:Training | Timepoint:1 week of training or control time | Sex:Female	Group:Training | Timepoint:1 week of training or control time | Sex:Female	Group:Training | Timepoint:1 week of training or control time | Sex:Female	Group:Training | Timepoint:1 week of training or control time | Sex:Female	Group:Training | Timepoint:1 week of training or control time | Sex:Female	Group:Training | Timepoint:1 week of training or control time | Sex:Male	Group:Training | Timepoint:1 week of training or control time | Sex:Male	Group:Training | Timepoint:1 week of training or control time | Sex:Male	Group:Training | Timepoint:1 week of training or control time | Sex:Male	Group:Training | Timepoint:1 week of training or control time | Sex:Male	Group:Training | Timepoint:2 weeks of training | Sex:Female	Group:Training | Timepoint:2 weeks of training | Sex:Female	Group:Training | Timepoint:2 weeks of training | Sex:Female	Group:Training | Timepoint:2 weeks of training | Sex:Female	Group:Training | Timepoint:2 weeks of training | Sex:Female	Group:Training | Timepoint:2 weeks of training | Sex:Male	Group:Training | Timepoint:2 weeks of training | Sex:Male	Group:Training | Timepoint:2 weeks of training | Sex:Male	Group:Training | Timepoint:2 weeks of training | Sex:Male	Group:Training | Timepoint:2 weeks of training | Sex:Male	Group:Training | Timepoint:4 weeks of training | Sex:Female	Group:Training | Timepoint:4 weeks of training | Sex:Female	Group:Training | Timepoint:4 weeks of training | Sex:Female	Group:Training | Timepoint:4 weeks of training | Sex:Female	Group:Training | Timepoint:4 weeks of training | Sex:Female	Group:Training | Timepoint:4 weeks of training | Sex:Male	Group:Training | Timepoint:4 weeks of training | Sex:Male	Group:Training | Timepoint:4 weeks of training | Sex:Male	Group:Training | Timepoint:4 weeks of training | Sex:Male	Group:Training | Timepoint:4 weeks of training | Sex:Male	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	
3-methyl-2-oxovalerate	47.9877	30.7237	38.4465	22.8709	32.6713	26.1624	39.9520	32.4027	32.0705	29.4407	59.4258	59.6919	58.8789	28.2759	29.1376	29.0668	28.9817	57.1108	31.3411	24.0863	44.3011	35.6961	38.6928	28.3027	29.1806	30.3358	29.2975	28.2819	40.5370	36.0820	42.5766	38.4134	50.8861	29.8050	25.3717	29.2692	34.8043	26.1661	37.6526	29.5003	32.2712	35.3197	26.7028	31.9058	26.9391	30.4359	29.9439	26.3231	35.7338	30.8314	30.7681	30.4837	32.1862	32.7347	39.4016	34.0117	32.8843	36.1293
ketoisovalerate	20.0047	12.5270	14.1134	9.4829	12.2136	10.2692	14.9473	11.6475	11.5358	11.1655	25.5687	25.0802	25.0636	11.5976	11.6233	11.5088	11.7162	25.6454	12.5202	10.9548	14.0335	12.6927	13.3893	10.7848	11.3894	11.5680	10.5859	11.3842	15.7036	13.5075	14.3841	12.8468	15.2607	10.9972	10.4130	12.0482	14.8217	9.5201	12.1960	11.6828	12.2725	12.1894	10.8494	12.3494	10.2996	12.0590	10.8590	9.4535	12.7361	12.4611	12.0588	10.8660	11.8830	11.4061	13.5145	12.3726	11.8278	13.9446
ketoleucine	52.1608	29.7906	33.3994	21.1400	29.6105	23.4150	36.6947	26.7697	29.2932	26.0023	55.8513	54.7763	54.9988	27.0669	27.5974	27.2228	27.1804	55.1562	33.3787	25.5816	34.5071	32.4853	33.2289	25.6970	26.1968	27.2616	25.4974	26.9902	40.2328	33.9259	35.4678	33.1087	40.0043	25.5909	22.2271	26.7042	32.6477	21.5085	29.9468	27.7243	31.9298	31.7017	25.3641	29.7801	24.5472	28.1329	25.9878	22.1798	30.0820	28.5936	29.4169	28.4064	29.6354	27.3323	32.4169	29.9031	29.9468	34.3756
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
3-methyl-2-oxovalerate									
ketoisovalerate									
ketoleucine									
METABOLITES_END
#END