#METABOLOMICS WORKBENCH  DATATRACK_ID:3902 STUDY_ID:ST002660 ANALYSIS_ID:AN004332
VERSION                          	1
CREATED_ON                       	05-02-2023
#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
ST:STUDY_TITLE                   	Gastrocnemius Powder - Targeted Acyl-CoA
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	90245015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a035.zip
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a048.zip
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a028.zip
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a075.zip
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a055.zip
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a037.zip
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a063.zip
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a059.zip
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a041.zip
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a066.zip
SUBJECT_SAMPLE_FACTORS           	-	80008815502_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a023.zip
SUBJECT_SAMPLE_FACTORS           	-	80008815502_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a042.zip
SUBJECT_SAMPLE_FACTORS           	-	80008815502_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a061.zip
SUBJECT_SAMPLE_FACTORS           	-	80008815502_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a079.zip
SUBJECT_SAMPLE_FACTORS           	-	80009825502_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a024.zip
SUBJECT_SAMPLE_FACTORS           	-	80009825502_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a043.zip
SUBJECT_SAMPLE_FACTORS           	-	80009825502_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a062.zip
SUBJECT_SAMPLE_FACTORS           	-	80009825502_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a080.zip
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559015514	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a073.zip
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560015514	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a031.zip
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564015514	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a032.zip
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567015514	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a046.zip
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571015514	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a026.zip
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421015514	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a067.zip
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422015514	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a030.zip
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423015514	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a068.zip
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426015514	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a047.zip
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430015514	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a058.zip
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576015514	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a029.zip
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578015514	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a057.zip
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581015514	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a036.zip
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585015514	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a077.zip
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587015514	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a070.zip
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439015514	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a064.zip
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441015514	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a033.zip
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444015514	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a051.zip
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449015514	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a045.zip
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450015514	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a038.zip
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406015514	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a060.zip
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410015514	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a039.zip
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412015514	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a049.zip
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416015514	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a056.zip
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420015514	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a053.zip
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280015514	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a074.zip
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281015514	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a071.zip
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283015514	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a025.zip
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289015514	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a027.zip
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292015514	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a044.zip
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a054.zip
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a069.zip
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a040.zip
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a034.zip
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a076.zip
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a052.zip
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a072.zip
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a078.zip
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a065.zip
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_CoA_081320_a050.zip
#COLLECTION
CO:SAMPLE_TYPE                   	Gastrocnemius
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	500 ul of tissue homogenate preprared at 50 mg/ml in 50% acetonitrile/0.3%
SP:SAMPLEPREP_SUMMARY            	formic acid are spiked with C17 Acyl CoA. The acyl CoAs are purified by solid
SP:SAMPLEPREP_SUMMARY            	phase extraction using 2-(2-pyridyl) ethyl functionalized Silica gel
SP:SAMPLEPREP_SUMMARY            	(Sigma-Aldrich 54127-U).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	80% methanol/20% water containing 30 mM ammonium hydroxide is used as the mobile
CH:CHROMATOGRAPHY_SUMMARY        	phase, the flow is 0.030 ml/min.
CH:INSTRUMENT_NAME               	Waters Acquity UPLC
CH:COLUMN_NAME                   	No column
CH:CHROMATOGRAPHY_TYPE           	Flow induction analysis
#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                   	Ion ratios of endogenous acyl CoAs to the C-17 CoA internal standard are
MS:MS_COMMENTS                   	computed from centroided spectra using a software package NeoLynx (Waters,
MS:MS_COMMENTS                   	Milford, MA). The ratios are converted to concentrations using calibrators
MS:MS_COMMENTS                   	prepared by spiking tissue homogenates with authentic CoAs (Sigma, St. Louis ,
MS:MS_COMMENTS                   	MO) having saturated acyl chain lengths C0- C18. Corrections for the heavy
MS:MS_COMMENTS                   	isotope effects, mainly 13C, to the adjacent m+2 spectral peaks in a particular
MS:MS_COMMENTS                   	chain length cluster are made empirically by referring to the observed spectra
MS:MS_COMMENTS                   	for the analytical standards. The values are expressed in pmol/mg. Spectra are
MS:MS_COMMENTS                   	acquired in the multichannel acquisition mode monitoring the neutral loss of 507
MS:MS_COMMENTS                   	amu (phosphoadenosine diphosphate) and scanning from m/z 750 to1060.
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	pmol/mg of tissue
MS_METABOLITE_DATA_START
Samples	90245015514	90248015514	90252015514	90265015514	90266015514	90217015514	90229015514	90232015514	90237015514	90239015514	80008815502_1	80008815502_2	80008815502_3	80008815502_4	80009825502_1	80009825502_2	80009825502_3	80009825502_4	90559015514	90560015514	90564015514	90567015514	90571015514	90421015514	90422015514	90423015514	90426015514	90430015514	90576015514	90578015514	90581015514	90585015514	90587015514	90439015514	90441015514	90444015514	90449015514	90450015514	90406015514	90410015514	90412015514	90416015514	90420015514	90280015514	90281015514	90283015514	90289015514	90292015514	90251015514	90254015514	90258015514	90259015514	90267015514	90218015514	90222015514	90223015514	90225015514	90227015514
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:-	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	
CoA(10:0)	0.0345	0.0344	0.0408	0.1489	0.0346	0.0494		0.0356	0.0450	0.0121	0.0572	0.0541	0.0656	0.0617	0.0355	0.0288	0.0298	0.0387	0.0745	0.0491	0.0341		0.0169	0.0254		0.0425	0.0302	0.0327	0.0337	0.0307	0.0390	0.0480	0.0265	0.0500	0.0197	0.0133	0.0237	0.0329	0.0452	0.0317		0.0366	0.0346	0.0274	0.0157	0.0406	0.0555	0.0319	0.0433	0.0452	0.0637	0.0815	0.0476	0.0399	0.0300	0.0261	0.0289	0.0461
CoA(10:1)	0.0022	0.0033	0.0063	0.0064	0.0010		0.0026	0.0052	0.0040		0.0170	0.0219	0.0127	0.0118	0.0059	0.0062	0.0100		0.0171	0.0035	0.0066	0.0062	0.0051		0.0056	0.0022	0.0051	0.0076	0.0106	0.0146	0.0118	0.0010	0.0025	0.0080	0.0038	0.0008	0.0036	0.0054	0.0026	0.0034	0.0007	0.0090	0.0157	0.0064	0.0039	0.0091	0.0066	0.0020	0.0078	0.0019	0.0038		0.0048	0.0021	0.0078	0.0066	0.0050	0.0063
CoA(10:2)	0.0053	0.0075	0.0040	0.0027	0.0040	0.0039	0.0011	0.0013		0.0052	0.0040	0.0091	0.0067	0.0021	0.0079	0.0048	0.0076	0.0022	0.0027	0.0052	0.0013	0.0053	0.0027		0.0112	0.0056	0.0024	0.0040	0.0010	0.0011	0.0027	0.0031	0.0022		0.0019	0.0053	0.0040		0.0010	0.0067	0.0067	0.0040	0.0040	0.0029	0.0010	0.0027	0.0008	0.0073	0.0027	0.0080	0.0027	0.0053	0.0053	0.0066	0.0021	0.0010	0.0039	0.0040
CoA(10:3)		0.0053				0.0013	0.0027			0.0013		0.0027		0.0067	0.0013	0.0053	0.0040	0.0053		0.0013					0.0093	0.0120	0.0027		0.0040	0.0027		0.0093	0.0053		0.0080			0.0013	0.0040					0.0120	0.0187		0.0053	0.0080						0.0013	0.0067	0.0040	0.0013	
CoA(11:0)	0.0055	0.0066	0.0053	0.0083	0.0026	0.0024	0.0041	0.0080	0.0043	0.0042	0.0122		0.0080	0.0094	0.0055	0.0024	0.0049	0.0082	0.0043	0.0065	0.0042	0.0065	0.0002	0.0028	0.0037	0.0008	0.0039	0.0028	0.0039	0.0009	0.0001	0.0064	0.0029	0.0028	0.0039	0.0084	0.0035	0.0018	0.0001	0.0025	0.0040	0.0037	0.0054	0.0056	0.0002	0.0055	0.0028	0.0029	0.0070	0.0013	0.0014	0.0039	0.0041	0.0002	0.0043	0.0039		0.0041
CoA(11:1)		0.0022	0.0012		0.0016	0.0033		0.0013	0.0118		0.0001	0.0005	0.0007	0.0003		0.0028	0.0051			0.0027		0.0025			0.0037	0.0063	0.0017		0.0013	0.0047		0.0034			0.0020		0.0056	0.0093		0.0022	0.0007	0.0040								0.0004		0.0021				0.0016	0.0056	
CoA(11:2)	0.0108	0.0203	0.0162	0.0243	0.0122	0.0081	0.0081	0.0149	0.0041	0.0176	0.0135	0.0095	0.0068	0.0108	0.0135	0.0135	0.0176	0.0095	0.0230	0.0149	0.0189	0.0162	0.0230	0.0095	0.0041	0.0054	0.0108	0.0135	0.0149	0.0216	0.0108	0.0068	0.0270	0.0068	0.0216	0.0324	0.0122	0.0311	0.0243	0.0203	0.0216	0.0149	0.0149	0.0270	0.0230	0.0149	0.0162	0.0203	0.0284	0.0392	0.0108	0.0068	0.0108	0.0243	0.0270	0.0122	0.0122	0.0176
CoA(12:0)	0.0089	0.0080	0.0171	0.1438	0.0096	0.0209	0.0104	0.0093	0.0018	0.0063	0.0325	0.0259	0.0280	0.0290	0.0157	0.0256	0.0157	0.0118	0.0317	0.0421	0.0071	0.0149	0.0132	0.0059	0.0094	0.0141	0.0158	0.0138	0.0129	0.0206	0.0310	0.0104	0.0122	0.0089	0.0132	0.0067	0.0149	0.0188	0.0059	0.0050	0.0083	0.0095	0.0211	0.0081	0.0151	0.0199	0.0531	0.0203	0.0184	0.0176	0.0224	0.0776	0.0098	0.0131	0.0067	0.0094	0.0260	0.0357
CoA(12:0-OH)	0.0018			0.0008	0.0048	0.0061			0.0020				0.0016		0.0046		0.0047	0.0007	0.0074		0.0007	0.0006		0.0036						0.0017	0.0007				0.0035	0.0033		0.0070					0.0014	0.0023		0.0048	0.0006	0.0018		0.0037	0.0037	0.0032	0.0014			0.0033	0.0018	
CoA(12:1)	0.0069	0.0028	0.0078			0.0111	0.0055	0.0028	0.0096	0.0055	0.0180	0.0157	0.0083	0.0265	0.0082	0.0048	0.0081	0.0052	0.0275	0.0031	0.0118	0.0021	0.0055	0.0096	0.0017	0.0102	0.0071		0.0081	0.0137	0.0050	0.0056	0.0012	0.0077	0.0055	0.0018	0.0021	0.0035	0.0102	0.0055		0.0004	0.0082	0.0014		0.0064	0.0033	0.0026	0.0081	0.0023	0.0097	0.0049		0.0059	0.0018	0.0014		0.0131
CoA(12:2)			0.0336	0.0356	0.0520			0.0284			0.0418	0.0370	0.0285	0.0246	0.0149	0.0219	0.0164	0.0178	0.0574	0.0110	0.0353	0.0513			0.0256	0.0229	0.0123	0.0245	0.0310		0.0342	0.0133	0.0163	0.0205		0.0244	0.0366	0.0504	0.0378		0.0230	0.0255		0.0147	0.0178	0.0052	0.0231	0.0312	0.0452	0.0489		0.0504	0.0602	0.0397	0.0246		0.0192	0.0067
CoA(12:3)	0.0014	0.0068	0.0068			0.0164	0.0055	0.0041	0.0055		0.0068		0.0027		0.0014				0.0014		0.0027	0.0082	0.0014	0.0041	0.0041	0.0041		0.0014	0.0055	0.0055		0.0041	0.0014		0.0027	0.0027	0.0041	0.0027	0.0055	0.0027	0.0027	0.0055	0.0027	0.0041		0.0027	0.0014	0.0027		0.0041	0.0110	0.0178				0.0082		0.0014
CoA(13:0)	0.0102	0.0087	0.0073	0.0058	0.0073	0.0087	0.0044	0.0102	0.0087	0.0029	0.0219	0.0204	0.0131	0.0131	0.0102	0.0175	0.0087	0.0233	0.0087	0.0102	0.0073	0.0087	0.0073	0.0058		0.0131	0.0131	0.0073	0.0058	0.0117	0.0073	0.0160	0.0262	0.0160	0.0073	0.0087	0.0015	0.0131	0.0029	0.0102	0.0058	0.0058	0.0146	0.0044	0.0073	0.0073	0.0087	0.0102	0.0102	0.0044	0.0044	0.0102	0.0146	0.0073	0.0044	0.0087	0.0102	0.0087
CoA(14:0)	0.0488	0.0710	0.0908	0.1757	0.0582	0.0864	0.0550	0.0724	0.0951	0.0723	0.0889	0.0822	0.0873	0.0769	0.0861	0.0846	0.0752	0.0781	0.1373	0.0922	0.0587	0.0471	0.0742	0.0673	0.0904	0.0835	0.1007	0.1094	0.0961	0.0818	0.1104	0.0637	0.0588	0.1117	0.0733	0.0705	0.0691	0.0844	0.0659	0.0625	0.0610	0.0665	0.0966	0.0653	0.0593	0.1098	0.1107	0.1035	0.0973	0.0604	0.0989	0.1228	0.0709	0.0761	0.0535	0.1116	0.1114	0.1067
CoA(14:0-OH)		0.0019	0.0001	0.0015	0.0000	0.0016			0.0030				0.0010	0.0011	0.0011	0.0012	0.0016	0.0072	0.0006				0.0020	0.0019			0.0005		0.0039	0.0016	0.0048	0.0017		0.0118		0.0013	0.0050		0.0009	0.0019		0.0003	0.0028	0.0015		0.0002			0.0003	0.0005	0.0010	0.0002		0.0011	0.0030	0.0031	0.0013	0.0011
CoA(14:1)	0.0064	0.0230	0.0249	0.0188	0.0191	0.0440	0.0107	0.0208	0.0262	0.0076	0.0423	0.0465	0.0373	0.0411	0.0233	0.0391	0.0210	0.0278	0.0468	0.0143	0.0149	0.0090	0.0132	0.0078	0.0179	0.0136	0.0207	0.0168	0.0304	0.0364	0.0275	0.0085	0.0078	0.0105	0.0084	0.0096	0.0176	0.0031	0.0153	0.0109	0.0149	0.0116	0.0233	0.0234	0.0045	0.0136	0.0187	0.0136	0.0227	0.0100	0.0224	0.0118	0.0112	0.0143	0.0091	0.0110	0.0176	0.0285
CoA(14:2)	0.0140	0.0203	0.0327	0.0312	0.0125	0.0280	0.0187	0.0109	0.0187	0.0187	0.0623	0.0514	0.0499	0.0421	0.0327	0.0467	0.0405	0.0514	0.0639	0.0296	0.0234	0.0203	0.0249	0.0327	0.0078	0.0203	0.0280	0.0203	0.0405	0.0265	0.0218	0.0249	0.0327	0.0203	0.0265	0.0296	0.0280		0.0187	0.0327	0.0234	0.0249	0.0327		0.0343	0.0203		0.0203	0.0234	0.0421	0.0265	0.0234	0.0296	0.0296	0.0187	0.0156	0.0109	0.0280
CoA(15:0)_and_CoA(C14:1-OH)	0.0169	0.0134	0.0153	0.0170	0.0166	0.0159	0.0203	0.0119	0.0184	0.0237	0.0218	0.0302	0.0230	0.0220	0.0220	0.0203	0.0166	0.0231	0.0272	0.0169	0.0218	0.0099	0.0119	0.0133	0.0236	0.0286	0.0288	0.0311	0.0248	0.0166	0.0322	0.0153	0.0170	0.0237	0.0234	0.0198	0.0130	0.0218	0.0068	0.0129	0.0169	0.0134	0.0202	0.0170	0.0198	0.0146	0.0216	0.0233	0.0303	0.0119	0.0232	0.0149	0.0170	0.0218	0.0184	0.0166	0.0194	0.0218
CoA(15:1)		0.0014			0.0027	0.0095			0.0015		0.0017	0.0017	0.0064				0.0027	0.0057			0.0012	0.0022		0.0017		0.0007		0.0098	0.0057	0.0029					0.0025	0.0042	0.0047	0.0019		0.0062		0.0014	0.0010		0.0044	0.0064	0.0032	0.0032	0.0008		0.0041	0.0027		0.0010	0.0014	0.0032	0.0083	0.0014
CoA(15:2)		0.0034	0.0068	0.0084	0.0068	0.0068	0.0068	0.0034	0.0017	0.0034			0.0034	0.0034	0.0017	0.0017	0.0068	0.0101	0.0135	0.0017	0.0051	0.0118	0.0101			0.0101	0.0068	0.0034	0.0101	0.0051	0.0084	0.0101	0.0101	0.0051	0.0084	0.0084	0.0034	0.0152	0.0084	0.0051	0.0051	0.0034	0.0068	0.0084	0.0068	0.0034	0.0017	0.0017	0.0084	0.0034	0.0101	0.0068	0.0118	0.0068	0.0034	0.0017	0.0017	0.0034
CoA(16:0)	0.4603	0.7386	0.6376	0.5404	0.3422	0.7454	0.7308	0.7452	0.8070	0.9224	0.5808	0.5517	0.5550	0.5116	0.7268	0.7175	0.6684	0.6775	0.9925	0.7092	0.6534	0.4689	0.8523	0.8592	1.0224	1.0497	1.0508	1.1215	0.6203	0.6696	0.8750	0.7307	0.6053	1.2110	0.8506	0.8970	0.6117	0.9247	0.6618	0.5429	0.4508	0.7039	0.7584	0.7474	0.5760	1.1252	1.0760	1.3723	0.9347	0.7578	0.6654	0.5871	0.5078	1.0451	0.6218	1.3934	1.3928	1.0343
CoA(16:1)	0.0707	0.1245	0.1321	0.0848	0.0822	0.1124	0.1274	0.1139	0.1447	0.1234	0.1256	0.1556	0.1416	0.1303	0.1666	0.1488	0.1395	0.1410	0.1811	0.1210	0.1045	0.0946	0.1187	0.1425	0.1609	0.1480	0.1734	0.1891	0.1558	0.0911	0.1505	0.1109	0.0857	0.1850	0.1176	0.1358	0.1137	0.1369	0.1129	0.0967	0.0907	0.1191	0.1298	0.1110	0.0818	0.1716	0.1629	0.2399	0.1477	0.1183	0.1328	0.0822	0.0957	0.1389	0.0698	0.1608	0.1847	0.1528
CoA(16:2)	0.0165	0.0165	0.0326	0.0234	0.0130	0.0432	0.0235	0.0291	0.0365	0.0091	0.0772	0.0567	0.0664	0.0862	0.0401	0.0326	0.0322	0.0360	0.0428	0.0145	0.0126	0.0184	0.0182	0.0219	0.0230	0.0217	0.0456	0.0376	0.0369	0.0161	0.0337	0.0219	0.0141	0.0234	0.0107	0.0145	0.0310	0.0223	0.0202	0.0159	0.0200	0.0145	0.0363	0.0215	0.0161	0.0271	0.0219	0.0306	0.0254	0.0219	0.0256	0.0130	0.0252	0.0200	0.0068	0.0235	0.0440	0.0291
CoA(16:3)	0.0019	0.0019	0.0074	0.0074		0.0130	0.0056	0.0056	0.0056	0.0019	0.0074	0.0074	0.0037	0.0093	0.0074	0.0074	0.0111	0.0111	0.0167	0.0037	0.0037	0.0019	0.0037	0.0037	0.0111	0.0056	0.0074	0.0130	0.0019	0.0056	0.0148	0.0037	0.0074	0.0074	0.0037	0.0037	0.0056		0.0019	0.0074	0.0037	0.0037	0.0074	0.0074	0.0056	0.0074	0.0037	0.0093	0.0056	0.0037	0.0037		0.0074	0.0037	0.0056	0.0056	0.0056	0.0056
CoA(17:1)	0.0482	0.0594	0.0445	0.0390	0.0482	0.0334	0.0445	0.0501	0.0501	0.0594	0.0612	0.0724	0.0575	0.0779	0.0612	0.0445	0.0501	0.0482	0.0390	0.0464	0.0427	0.0482	0.0408	0.0297	0.0631	0.0501	0.0445	0.0594	0.0408	0.0353	0.0408	0.0594	0.0371	0.0538	0.0501	0.0538	0.0371	0.0427	0.0371	0.0371	0.0390	0.0371	0.0501	0.0482	0.0408	0.0464	0.0353	0.0612	0.0482	0.0427	0.0482	0.0427	0.0390	0.0427	0.0353	0.0445	0.0501	0.0575
CoA(18:0)	0.3273	0.6249	0.6051	0.5311	0.3129	0.6481	0.3902	0.3915	0.5740	0.5151	0.3146	0.2595	0.2805	0.2857	0.4619	0.3620	0.3529	0.3542	0.6134	0.7088	0.5190	0.3962	0.5553	0.4939	0.7102	0.5062	0.5542	0.5725	0.4193	0.7620	0.7929	0.4760	0.5195	0.6232	0.5165	0.4324	0.4443	0.4515	0.5017	0.5349	0.3650	0.5778	0.6827	0.5603	0.3794	0.6712	0.6185	0.7852	0.7581	0.6147	0.7165	0.5706	0.4670	0.6733	0.4822	0.6985	0.8921	0.7126
CoA(18:1)	0.7221	0.7755	0.8803	0.8296	0.6617	0.7926	1.3733	1.3230	1.1653	1.1871	1.1646	1.1713	1.2466	1.1226	1.5221	1.5553	1.5236	1.5503	1.2643	0.9271	0.8830	0.7803	1.1255	1.0167	1.2592	1.2115	1.2506	1.5435	0.9140	0.7456	1.0194	1.1622	0.7818	1.5588	1.2124	1.0822	0.8577	1.2718	0.9071	0.8141	0.8176	0.8045	0.8977	0.9643	0.6276	1.3295	1.1983	1.6081	0.9740	1.0604	0.8752	0.8130	0.7643	1.5788	0.7406	1.6353	1.6255	1.1990
CoA(18:2)	0.4211	0.4688	0.4860	0.4328	0.3993	0.4267	1.0318	0.9167	0.7892	0.7428	1.0455	1.0613	1.0415	1.1043	1.1062	1.0897	1.0729	1.0780	0.6302	0.5755	0.4421	0.4821	0.5983	0.5979	0.7923	0.8653	0.6984	0.9102	0.5421	0.3782	0.5349	0.8760	0.5456	0.9618	0.5111	0.6109	0.5781	0.5997	0.5281	0.4986	0.5235	0.4714	0.6334	0.6751	0.4623	1.0111	0.7560	1.0851	0.6060	0.5421	0.5909	0.5665	0.4949	0.9127	0.3277	0.9120	1.0983	0.9220
CoA(18:3)	0.0335	0.0377	0.0335	0.0419	0.0419	0.0398	0.0565	0.0565	0.0544	0.0586	0.0649	0.0544	0.0628	0.0628	0.0649	0.0628	0.0628	0.0544	0.0544	0.0377	0.0335	0.0314	0.0398	0.0439	0.0460	0.0670	0.0628	0.0586	0.0377	0.0439	0.0460	0.0460	0.0439	0.0649	0.0335	0.0398	0.0523	0.0460	0.0314	0.0335	0.0356	0.0335	0.0439	0.0460	0.0398	0.0732	0.0523	0.0858	0.0460	0.0377	0.0502	0.0439	0.0481	0.0356	0.0272	0.0607	0.0607	0.0649
CoA(19:0)	0.0371	0.0520	0.0395	0.0412	0.0305	0.0605	0.0454	0.0329	0.0301	0.0498	0.0387	0.0369	0.0430	0.0425	0.0518	0.0408	0.0400	0.0492	0.0590	0.0537	0.0432	0.0483	0.0429	0.0452	0.0429	0.0405	0.0353	0.0542	0.0547	0.0596	0.0701	0.0419	0.0410	0.0400	0.0475	0.0344	0.0609	0.0410	0.0564	0.0450	0.0473	0.0497	0.0551	0.0465	0.0533	0.0404	0.0344	0.0486	0.0411	0.0514	0.0464	0.0597	0.0431	0.0473	0.0428	0.0340	0.0528	0.0503
CoA(19:1)	0.0047	0.0196	0.0019	0.0050	0.0075	0.0190	0.0052	0.0048	0.0104	0.0036	0.0090	0.0066	0.0077	0.0116	0.0041	0.0085	0.0152	0.0080	0.0134	0.0057	0.0062	0.0155	0.0088	0.0069	0.0083	0.0109	0.0195	0.0191	0.0146	0.0092	0.0254		0.0067	0.0153	0.0052	0.0093	0.0157	0.0070	0.0008	0.0087	0.0071	0.0046	0.0118	0.0133	0.0089	0.0118	0.0097	0.0131	0.0065	0.0078	0.0139	0.0084	0.0071	0.0072	0.0093	0.0131	0.0128	0.0164
CoA(19:2)	0.0132		0.0012						0.0004	0.0045	0.0124	0.0142	0.0054	0.0082	0.0004			0.0032		0.0048	0.0009				0.0004				0.0002			0.0028		0.0119									0.0061			0.0064	0.0059				0.0065				0.0093			0.0030
CoA(19:3)	0.0460	0.0502	0.0419	0.0565	0.0795	0.0774	0.0649	0.0439	0.0314	0.0314	0.0188	0.0377	0.0419	0.0356	0.0314	0.0272	0.0398	0.0251	0.0586	0.0293	0.0439	0.0586	0.0628	0.0398	0.0314	0.0293	0.0419	0.0335	0.0670	0.0586	0.0398	0.0460	0.0293	0.0398	0.0711	0.0649	0.0732	0.0460	0.0544	0.0377	0.0565	0.0272	0.0356	0.0523	0.0335	0.0502	0.0377	0.0398	0.0460	0.1046	0.0670	0.0691	0.0586	0.0607	0.0439	0.0356	0.0314	0.0272
CoA(2:0)	0.4065	0.5427	0.4564	0.4678	0.3451	0.8878	0.4405	0.4019	0.3747	0.2657	0.6085	0.6426	0.6699	0.6699	0.4768	0.5313	0.4768	0.5200	0.5699	0.3497	0.4859	0.5927	0.5245	0.3474	0.5018	0.5722	0.3111	0.4973	0.5722	0.7766	1.0468	0.5699	0.6812	0.7198	0.8175	0.4791	0.3293	0.4768	0.2657	0.3542	0.2907	0.4110	0.7153	0.2452	0.4905	0.5881	0.4451	0.3656	0.6176	0.3202	0.5858	0.4201	0.4337	0.4723	0.4678	0.4110	0.5177	0.7743
CoA(20:0)	0.0446	0.0287	0.0543	0.0561	0.0372	0.0453	0.0417	0.0264	0.0393	0.0375	0.0299	0.0374	0.0414	0.0271	0.0545	0.0448	0.0721	0.0577	0.0565	0.0411	0.0548	0.0671	0.0619	0.0417	0.1071	0.0505	0.0411	0.0342	0.0574	0.0568	0.0587	0.0561	0.0507	0.0532	0.0375	0.0562	0.0297	0.0433	0.0352	0.0527	0.0422	0.0393	0.0509	0.0482	0.0425	0.0485	0.0349	0.0524	0.0530	0.0625	0.0576	0.0441	0.0491	0.0434	0.0326	0.0652	0.0422	0.0591
CoA(20:1)	0.0413	0.0511	0.0472	0.0341	0.0343	0.0984	0.0632	0.0522	0.0496	0.0636	0.0268	0.0326	0.0186	0.0321	0.0303	0.0249	0.0396	0.0374	0.0931	0.0675	0.0588	0.0456	0.0684	0.0787	0.0748	0.0909	0.0523	0.0724	0.0712	0.0910	0.1231	0.0652	0.0736	0.0866	0.1098	0.0645	0.0593	0.0665	0.0490	0.0743	0.0284	0.0961	0.0728	0.0773	0.0572	0.0904	0.0978	0.1076	0.0876	0.0640	0.0690	0.0609	0.0551	0.1124	0.0533	0.0909	0.0908	0.0740
CoA(20:2)	0.0196	0.0246	0.0222	0.0264	0.0092	0.0309	0.0278	0.0319	0.0356	0.0407	0.0341	0.0375	0.0328		0.0239	0.0482	0.0322	0.0327	0.0386	0.0272	0.0293	0.0190	0.0357	0.0369	0.0349	0.0394	0.0309	0.0376	0.0308	0.0233	0.0336	0.0286		0.0402	0.0394	0.0337	0.0255	0.0347	0.0242	0.0229	0.0219	0.0324	0.0186	0.0321	0.0262	0.0432	0.0507	0.0556	0.0329	0.0371	0.0314	0.0297	0.0260	0.0512	0.0238	0.0401	0.0407	0.0255
CoA(20:3)	0.0252	0.0195	0.0370	0.0212	0.0245	0.0191	0.0267	0.0275	0.0306	0.0240	0.0106	0.0168	0.0052	0.0394	0.0403	0.0308	0.0246	0.0215	0.0240	0.0314	0.0152	0.0146	0.0302	0.0210	0.0362	0.0178	0.0189	0.0317	0.0202	0.0291	0.0300	0.0359	0.0200	0.0432	0.0180	0.0293	0.0126	0.0219	0.0222	0.0161	0.0236	0.0234	0.0173	0.0258	0.0233	0.0211	0.0275	0.0377	0.0196	0.0194	0.0309	0.0283	0.0241	0.0239	0.0097	0.0288	0.0397	0.0278
CoA(20:4)	0.1695	0.1653	0.1758	0.1841	0.1904	0.1528	0.2365	0.2148	0.2386	0.2406	0.2469	0.2323	0.2406	0.2197	0.2595	0.2679	0.2825	0.3055	0.2720	0.1862	0.2281	0.2176	0.2720	0.2163	0.3056	0.2867	0.2323	0.2616	0.2072	0.2030	0.2427	0.3076	0.2239	0.2532	0.1611	0.2323	0.2009	0.1946	0.2386	0.1904	0.1507	0.1988	0.2595	0.1967	0.1841	0.2930	0.2151	0.2940	0.1800	0.2281	0.2051	0.1779	0.1779	0.2260	0.0984	0.2825	0.3411	0.3055
CoA(20:5)								0.0209																0.0565	0.0146																						0.0188	0.1004										
CoA(2:0-COOH)_and_CoA(4:0-OH)	0.0503	0.0402	0.0244	0.0287	0.0216	0.0316	0.0273	0.0431	0.0316	0.0230	0.0287	0.0244	0.0216	0.0331	0.0201	0.0158	0.0316	0.0187	0.0287	0.0287	0.0374	0.0446	0.0431	0.0359	0.0474	0.0345	0.0273	0.0474	0.0216	0.0359	0.0417	0.0259	0.0302	0.0489	0.0431	0.0302	0.0316	0.0359	0.0187	0.0144	0.0201	0.0431	0.0230	0.0144	0.0345	0.0446	0.0388	0.0287	0.0345	0.0230	0.0230	0.0302	0.0201	0.0388	0.0302	0.0474	0.0417	0.0374
CoA(21:0)		0.0084	0.0084	0.0042	0.0042	0.0033	0.0063	0.0021	0.0042		0.0033	0.0125		0.0064	0.0021	0.0105	0.0105	0.0042	0.0084		0.0064		0.0084	0.0102	0.0126	0.0057	0.0063	0.0042	0.0050	0.0084	0.0084		0.0063	0.0008	0.0053	0.0042	0.0063	0.0042		0.0057	0.0063		0.0042	0.0057	0.0042	0.0063	0.0042	0.0084	0.0042	0.0105		0.0060		0.0037	0.0084	0.0064	0.0105	0.0021
CoA(21:1)			0.0001			0.0063					0.0063	0.0000										0.0042		0.0021		0.0042			0.0084					0.0085	0.0063					0.0039				0.0042				0.0000			0.0126	0.0018		0.0036				
CoA(21:2)								0.0021						0.0063							0.0042							0.0018			0.0021									0.0018												0.0021		0.0042		0.0042		0.0021
CoA(21:3)			0.0042									0.0021																0.0021						0.0042						0.0021								0.0021										
CoA(22:1)		0.0042	0.0233	0.0106	0.0083	0.0228	0.0148	0.0104	0.0001	0.0167	0.0083	0.0041	0.0056	0.0105	0.0167	0.0209	0.0147	0.0105	0.0252	0.0140	0.0147	0.0335	0.0314	0.0185	0.0271	0.0104	0.0042		0.0394	0.0228	0.0246	0.0145	0.0209	0.0147	0.0001	0.0126		0.0102	0.0081	0.0104	0.0081	0.0063	0.0105	0.0186	0.0084	0.0167	0.0189	0.0104	0.0244	0.0252	0.0161	0.0189	0.0078	0.0125	0.0126	0.0104	0.0105	0.0116
CoA(22:2)	0.0105				0.0001	0.0020		0.0001			0.0000	0.0001	0.0042		0.0000	0.0000				0.0042				0.0021	0.0000	0.0000		0.0063	0.0021	0.0020	0.0041	0.0001	0.0000				0.0000	0.0020	0.0021	0.0000	0.0021			0.0020	0.0000	0.0000		0.0001	0.0042		0.0042		0.0041	0.0001		0.0001		0.0063
CoA(22:3)		0.0025	0.0109	0.0057		0.0032	0.0063		0.0053	0.0002				0.0034			0.0046	0.0011	0.0019		0.0014	0.0027	0.0014	0.0012			0.0029			0.0064	0.0030			0.0011	0.0068	0.0027		0.0030	0.0016		0.0003	0.0020	0.0019	0.0055			0.0025			0.0025		0.0030	0.0028		0.0032		0.0030	0.0010
CoA(22:4)	0.0144	0.0113	0.0112	0.0178	0.0230	0.0210	0.0142	0.0290	0.0210	0.0267	0.0225	0.0256	0.0266	0.0198	0.0291	0.0169	0.0256	0.0207	0.0294	0.0205	0.0185	0.0243	0.0186	0.0203	0.0334	0.0238	0.0228	0.0287	0.0240	0.0277	0.0220	0.0327	0.0203	0.0350	0.0392	0.0241	0.0156	0.0361	0.0313	0.0222	0.0262	0.0286	0.0155	0.0193	0.0045	0.0187	0.0256	0.0438	0.0195	0.0252	0.0116	0.0221	0.0238	0.0280	0.0208	0.0406	0.0366	0.0215
CoA(22:5)	0.0444	0.0366	0.0515	0.0637	0.0564	0.0422	0.0737	0.0584	0.0704	0.0739	0.1028	0.0959	0.0750	0.1068	0.0863	0.0837	0.0956	0.1003	0.0421	0.0454	0.0446	0.0480	0.0582	0.0611	0.0427	0.0515	0.0722	0.0605	0.0500	0.0393	0.0494	0.0618	0.0322	0.0885	0.0462	0.0490	0.0500	0.0528	0.0712	0.0624	0.0636	0.0332	0.0370	0.0674	0.0544	0.0573	0.0533	0.0861	0.0380	0.0560	0.0632	0.0627	0.0513	0.0652	0.0432	0.0650	0.0778	0.0670
CoA(22:6)	0.0816	0.0636	0.0762	0.1208	0.0852	0.0686	0.1100	0.1001	0.1040	0.1088	0.1962	0.1865	0.1716	0.1832	0.1524	0.1554	0.1742	0.1563	0.1118	0.0753	0.0660	0.0859	0.1013	0.0822	0.1216	0.1184	0.1204	0.1145	0.1143	0.0741	0.0762	0.1339	0.0932	0.1233	0.0976	0.0789	0.0723	0.0956	0.1130	0.1017	0.1079	0.1151	0.0894	0.1101	0.0852	0.1079	0.1208	0.1536	0.0684	0.0884	0.0819	0.0996	0.0774	0.1250	0.0615	0.1267	0.1387	0.1127
CoA(3:0)	0.0399	0.0642	0.0625	0.1337	0.0486	0.0590	0.0521	0.0590	0.0538	0.0278	0.0312	0.0503	0.0399	0.0365	0.0278	0.0382	0.0208	0.0156	0.0677	0.0417	0.0417	0.0555	0.0312	0.0330	0.0781	0.0503	0.0295	0.0365	0.0365	0.0469	0.0469	0.0365	0.0243		0.0469	0.0382	0.0382	0.0486	0.0608	0.0555	0.0434	0.0382	0.0382	0.0382	0.0278	0.0590	0.0746	0.0417	0.0469	0.0625	0.1041	0.1041	0.0642	0.0555	0.0417	0.0365	0.0260	0.0555
CoA(3:0_ 3-OH)	0.0088	0.0117	0.0176	0.0279	0.0147	0.0132	0.0220			0.0044	0.0235		0.0044	0.0059		0.0103	0.0088	0.0029	0.0191		0.0162	0.0191	0.0088	0.0117	0.0308	0.0176	0.0059	0.0206	0.0147	0.0044	0.0176	0.0162	0.0044	0.0220	0.0191	0.0088	0.0117		0.0088		0.0088		0.0147	0.0088	0.0059		0.0206	0.0147	0.0308	0.0323	0.0206	0.0323	0.0191	0.0176	0.0176	0.0250	0.0117	
CoA(3:0-COOH)	0.1902	0.1263	0.1508	0.1304	0.0964	0.0448	0.1317	0.1684	0.4740	0.1779	0.5732	0.4632	0.4713	0.4740	0.2703	0.2418	0.1874	0.1779	0.1222	0.1834	0.1059	0.1671	0.1643	0.1073	0.3545	0.2635	0.3491	0.3844	0.1671	0.0489	0.0883	0.3409	0.1385	0.2187	0.0747	0.1005	0.1127	0.0801	0.1480	0.1440	0.1480	0.1372	0.3260	0.1290	0.1059	0.1684	0.1616	0.2024	0.1480	0.1413	0.1942	0.1929	0.1426	0.1508	0.0421	0.1657	0.2554	0.3233
CoA(4:0)	0.0073	0.0176	0.0558	0.1953	0.0793	0.0896	0.1160	0.0059	0.0147	0.0088	0.0220	0.0176	0.0162	0.0147	0.0088	0.0132	0.0073	0.0176	0.1894	0.0308	0.0587	0.1101	0.1233	0.0117	0.0088	0.0073	0.0073	0.0103	0.1277	0.0573	0.0294	0.0088	0.0117	0.0103	0.1527	0.1116	0.0852	0.1909	0.0705	0.0132	0.0073	0.0103	0.0059	0.0631	0.0485	0.0440	0.0485	0.0073	0.1806	0.1615	0.1571	0.2261	0.1571	0.1131	0.0073	0.0162	0.0132	0.0162
CoA(4:0-CH3)	0.0086	0.0115	0.0187	0.1150	0.0144	0.0172	0.0287	0.0086	0.0101	0.0029	0.0101	0.0101	0.0072	0.0144	0.0043	0.0043	0.0029	0.0101	0.0402	0.0359	0.0129	0.0230	0.0273	0.0115	0.0158	0.0043	0.0072	0.0057	0.0216	0.0187	0.0201	0.0115	0.0029	0.0101	0.0259	0.0273	0.0129	0.0287	0.0101	0.0057	0.0072	0.0086	0.0057	0.0115	0.0172	0.0230	0.0417	0.0086	0.0259	0.0331	0.0446	0.0891	0.0345	0.0287	0.0029		0.0043	0.0057
CoA(4:0-COOH)	0.0026	0.0026	0.0013		0.0013	0.0026	0.0026		0.0013	0.0026	0.0038	0.0013	0.0013	0.0064	0.0013	0.0026			0.0026			0.0013	0.0013	0.0051		0.0038		0.0038	0.0013		0.0051	0.0026	0.0026		0.0026	0.0038			0.0013	0.0013			0.0038		0.0026		0.0026				0.0026		0.0026	0.0013		0.0026		
CoA(4:1)	0.0059	0.0176	0.0162	0.0103	0.0132	0.0191	0.0147		0.0162	0.0073	0.0176	0.0176	0.0162	0.0132	0.0117	0.0132	0.0117	0.0147	0.0147	0.0162	0.0088	0.0132	0.0073	0.0191	0.0147	0.0191	0.0132	0.0206	0.0103	0.0103	0.0147	0.0162	0.0191	0.0117	0.0132	0.0103	0.0117		0.0073	0.0132	0.0073		0.0132	0.0059	0.0117	0.0088	0.0117	0.0059	0.0059	0.0103	0.0147	0.0117	0.0162	0.0117	0.0132	0.0117	0.0088	0.0132
CoA(4:1-CH3)	0.0029	0.0129	0.0101	0.0359	0.0302	0.0287	0.0446	0.0072		0.0072	0.0115	0.0158	0.0129	0.0144	0.0115	0.0072		0.0115	0.0489	0.0029	0.0302	0.0517	0.0560	0.0057		0.0043			0.0359	0.0287	0.0072	0.0014	0.0029	0.0057	0.0417	0.0359	0.0331	0.0575	0.0230	0.0057	0.0158	0.0072	0.0029	0.0172	0.0187	0.0230	0.0029		0.0632	0.0460	0.0532	0.0575	0.0575	0.0517	0.0086	0.0043	0.0129	0.0043
CoA(4:1-COOH)	0.0013		0.0013	0.0026	0.0013	0.0038		0.0051			0.0026	0.0026	0.0013	0.0026	0.0013	0.0026		0.0026	0.0038	0.0013		0.0038	0.0013	0.0013		0.0038			0.0026		0.0013		0.0026	0.0013	0.0013				0.0026	0.0038	0.0013		0.0051		0.0013	0.0051		0.0013	0.0013	0.0013	0.0115	0.0064	0.0013		0.0026			
CoA(6:0)	0.0163	0.0326	0.0326	0.1195	0.0489	0.0231	0.0407	0.0190	0.0258	0.0258	0.0503	0.0380	0.0421	0.0557	0.0503	0.0367	0.0312	0.0448	0.0666	0.0530	0.0258	0.0435	0.0407	0.0217	0.0244	0.0244	0.0258	0.0149	0.0312	0.0326	0.0394		0.0380	0.0204	0.0475	0.0394	0.0204	0.0475	0.0244		0.0149	0.0217	0.0407	0.0340	0.0258	0.0312	0.0761	0.0136	0.0448	0.0462	0.0774	0.0937	0.0475	0.0394	0.0177	0.0149	0.0204	0.0312
CoA(6:1)	0.0014	0.0054	0.0027	0.0054		0.0014	0.0041	0.0027	0.0041	0.0027	0.0068	0.0054	0.0054		0.0041	0.0027	0.0041	0.0054	0.0054	0.0014	0.0014	0.0081	0.0027	0.0027	0.0109	0.0041	0.0054	0.0027	0.0027	0.0054	0.0027	0.0027	0.0014	0.0041	0.0041	0.0027	0.0014	0.0027	0.0014		0.0014	0.0081			0.0014		0.0014	0.0014	0.0054		0.0027			0.0014	0.0014		0.0014	0.0014
CoA(8:0)	0.0035	0.0110	0.0225	0.1214	0.0128	0.0121	0.0077	0.0122	0.0114	0.0075	0.0343	0.0228	0.0290	0.0189	0.0125	0.0101	0.0074	0.0125	0.0490	0.0486	0.0075	0.0165	0.0176	0.0098	0.0226	0.0028	0.0077	0.0074	0.0160	0.0111	0.0230	0.0048	0.0075		0.0060	0.0076	0.0163	0.0124	0.0072	0.0062	0.0037	0.0141	0.0131	0.0140	0.0100	0.0099	0.0510		0.0101	0.0127	0.0378	0.0535	0.0154	0.0059	0.0037	0.0113	0.0061	0.0187
CoA(8:1)	0.0051	0.0077	0.0077	0.0064		0.0103		0.0090	0.0026	0.0026	0.0051	0.0038	0.0064	0.0051	0.0051	0.0026	0.0038	0.0051	0.0141	0.0026	0.0026	0.0026	0.0051	0.0064	0.0064	0.0141		0.0038	0.0090	0.0064	0.0013	0.0051	0.0026	0.0026	0.0051	0.0013	0.0051	0.0064	0.0064	0.0026	0.0026		0.0141	0.0013	0.0038	0.0051	0.0038	0.0090	0.0026	0.0013	0.0090	0.0051		0.0064	0.0026	0.0038	0.0038	0.0077
CoA(9:0)	0.0141	0.0195	0.0076	0.0092		0.0157		0.0129	0.0298	0.0181	0.0128	0.0083	0.0194		0.0089	0.0118	0.0063	0.0124	0.0023	0.0116	0.0104	0.0118	0.0117	0.0115	0.0479	0.0089	0.0124	0.0092	0.0062	0.0091	0.0154	0.0062	0.0117			0.0064	0.0038	0.0073	0.0092	0.0101	0.0218	0.0181		0.0076	0.0208	0.0192	0.0118		0.0141	0.0039		0.0077	0.0105	0.0261	0.0155	0.0077	0.0072	0.0208
CoA(9:1)	0.0039	0.0013	0.0026		0.0052		0.0026	0.0026	0.0039	0.0026	0.0039	0.0105	0.0026	0.0065	0.0026		0.0026	0.0079	0.0039	0.0026	0.0013		0.0013	0.0039	0.0065	0.0026	0.0079		0.0039	0.0013	0.0039	0.0039	0.0013	0.0039	0.0039	0.0013	0.0013	0.0065		0.0039	0.0052	0.0026	0.0039	0.0026	0.0013	0.0052		0.0026	0.0039			0.0013		0.0013	0.0026	0.0013	0.0079	0.0013
coenzyme A	5.3455	5.9847	5.8441	6.3533	5.1453	5.1985	6.4918	5.7823	7.3504	5.3157	6.4364	6.2766	6.0997	6.5642	5.6353	5.9847	6.2233	5.6971	8.2047	6.1423	5.8952	6.3639	7.2438	5.9868	7.5911	8.5605	7.1267	8.0726	7.1245	5.8398	6.3085	6.5663	5.6246	8.0875	7.7403	6.7176	5.5394	7.8383	6.7986	5.6033	5.4244	6.1125	7.9107	6.4044	6.2638	7.2417	6.3682	7.0649	8.0385	6.6942	7.7552	7.8319	7.4548	6.9392	4.7618	7.1032	6.9072	8.0044
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	
CoA(10:0)									
CoA(10:1)									
CoA(10:2)									
CoA(10:3)									
CoA(11:0)									
CoA(11:1)									
CoA(11:2)									
CoA(12:0)									
CoA(12:0-OH)									
CoA(12:1)									
CoA(12:2)									
CoA(12:3)									
CoA(13:0)									
CoA(14:0)									
CoA(14:0-OH)									
CoA(14:1)									
CoA(14:2)									
CoA(15:0)_and_CoA(C14:1-OH)									
CoA(15:1)									
CoA(15:2)									
CoA(16:0)									
CoA(16:1)									
CoA(16:2)									
CoA(16:3)									
CoA(17:1)									
CoA(18:0)									
CoA(18:1)									
CoA(18:2)									
CoA(18:3)									
CoA(19:0)									
CoA(19:1)									
CoA(19:2)									
CoA(19:3)									
CoA(2:0)									
CoA(20:0)									
CoA(20:1)									
CoA(20:2)									
CoA(20:3)									
CoA(20:4)									
CoA(20:5)									
CoA(2:0-COOH)_and_CoA(4:0-OH)									
CoA(21:0)									
CoA(21:1)									
CoA(21:2)									
CoA(21:3)									
CoA(22:1)									
CoA(22:2)									
CoA(22:3)									
CoA(22:4)									
CoA(22:5)									
CoA(22:6)									
CoA(3:0)									
CoA(3:0, 3-OH)									
CoA(3:0-COOH)									
CoA(4:0)									
CoA(4:0-CH3)									
CoA(4:0-COOH)									
CoA(4:1)									
CoA(4:1-CH3)									
CoA(4:1-COOH)									
CoA(6:0)									
CoA(6:1)									
CoA(8:0)									
CoA(8:1)									
CoA(9:0)									
CoA(9:1)									
coenzyme A									
METABOLITES_END
#END