#METABOLOMICS WORKBENCH efahy_20230425_000032 DATATRACK_ID:3927 STUDY_ID:ST002662 ANALYSIS_ID:AN004334 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 Liver Powder
ST:STUDY_TITLE                   	- 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
#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           	-	80010816802_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a023.zip
SUBJECT_SAMPLE_FACTORS           	-	80011826802_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a024.zip
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410016811	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a025.zip
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a026.zip
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a027.zip
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559016811	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a028.zip
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a029.zip
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439016811	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a030.zip
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a031.zip
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a032.zip
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a033.zip
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587016811	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a034.zip
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281016811	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a035.zip
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567016811	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a036.zip
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280016811	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a037.zip
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426016811	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a038.zip
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430016811	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a039.zip
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444016811	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a040.zip
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283016811	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a041.zip
SUBJECT_SAMPLE_FACTORS           	-	80010816802_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a042.zip
SUBJECT_SAMPLE_FACTORS           	-	80011826802_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a043.zip
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a044.zip
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416016811	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a045.zip
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576016811	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a046.zip
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441016811	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a047.zip
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a048.zip
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a049.zip
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a050.zip
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449016811	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a051.zip
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a052.zip
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585016811	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a053.zip
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578016811	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a054.zip
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a055.zip
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a056.zip
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581016811	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a057.zip
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a058.zip
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412016811	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a059.zip
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a060.zip
SUBJECT_SAMPLE_FACTORS           	-	80010816802_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a061.zip
SUBJECT_SAMPLE_FACTORS           	-	80011826802_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a062.zip
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422016811	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a063.zip
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420016811	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a064.zip
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421016811	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a065.zip
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560016811	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a066.zip
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571016811	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a067.zip
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a068.zip
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a069.zip
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a070.zip
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564016811	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a071.zip
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a072.zip
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423016811	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a073.zip
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289016811	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a074.zip
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406016811	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a075.zip
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450016811	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a076.zip
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a077.zip
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292016811	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a078.zip
SUBJECT_SAMPLE_FACTORS           	-	80010816802_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a079.zip
SUBJECT_SAMPLE_FACTORS           	-	80011826802_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_CoA_081420_a080.zip
#COLLECTION
CO:SAMPLE_TYPE                   	Liver
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	500 ul 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
CH:CHROMATOGRAPHY_SUMMARY        	mobile phase, the flow is 0.030 ml/min.
CH:CHROMATOGRAPHY_TYPE           	Flow induction analysis
CH:INSTRUMENT_NAME               	Waters Acquity UPLC
CH:COLUMN_NAME                   	No column
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_COMMENTS:            	Ion ratios of endogenous acyl CoAs to the C-17 CoA internal standard are
AN:ANALYSIS_COMMENTS:            	computed from centroided spectra using a software package NeoLynx (Waters,
AN:ANALYSIS_COMMENTS:            	Milford, MA). The ratios are converted to concentrations using calibrators
AN:ANALYSIS_COMMENTS:            	prepared by spiking tissue homogenates with authentic CoAs (Sigma, St. Louis ,
AN:ANALYSIS_COMMENTS:            	MO) having saturated acyl chain lengths C0- C18. Corrections for the heavy
AN:ANALYSIS_COMMENTS:            	isotope effects, mainly 13C, to the adjacent m+2 spectral peaks in a particular
AN:ANALYSIS_COMMENTS:            	chain length cluster are made empirically by referring to the observed spectra
AN:ANALYSIS_COMMENTS:            	for the analytical standards. The values are expressed in pmol/mg.
#MS
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:INSTRUMENT_NAME               	Waters Xevo TQ-S
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
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.
MS:MS_COMMENTS                   	Spectra are acquired in the multichannel acquisition mode monitoring the neutral
MS:MS_COMMENTS                   	loss of 507 amu (phosphoadenosine diphosphate) and scanning from m/z 750 to1060.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmol/mg of tissue
MS_METABOLITE_DATA_START
Samples	90217016811	90218016811	90222016811	90223016811	90225016811	90227016811	90229016811	90232016811	90237016811	90239016811	90245016811	90248016811	90251016811	90252016811	90254016811	90258016811	90259016811	90265016811	90266016811	90267016811	90280016811	90281016811	90283016811	90289016811	90292016811	90406016811	90410016811	90412016811	90416016811	90420016811	90421016811	90422016811	90423016811	90426016811	90430016811	90439016811	90441016811	90444016811	90449016811	90450016811	90559016811	90560016811	90564016811	90567016811	90571016811	90576016811	90578016811	90581016811	90585016811	90587016811	80010816802_1	80010816802_2	80010816802_3	80010816802_4	80011826802_1	80011826802_2	80011826802_3	80011826802_4
coenzyme A	52.91992975	47.90298388	45.64373288	51.76411788	51.54740316	50.11528002	42.90951544	37.78601816	52.50094795	44.9195445	45.86405951	44.42290659	38.44338616	54.76019895	39.75270428	40.70263716	47.04154285	46.08799806	58.16803799	40.14459674	36.43155113	40.12653718	38.97614319	37.70655609	37.09794891	45.78279149	44.78951567	31.96903376	37.27312664	44.87620156	40.45883309	45.58774824	40.98617226	41.46655656	41.71758445	43.92626868	36.47128216	43.69510631	31.13648803	37.78963007	35.39493237	40.25295411	45.35658587	25.79627603	27.22478726	40.05429894	34.81160857	29.11923514	36.4532226	50.28503989	34.32219448	34.49195435	35.943943	34.11812145	34.42513397	33.95197349	34.24453837	36.35750693
CoA(2:0)	20.62458181	25.0326831	20.29311853	38.23897267	35.65031654	28.91836945	21.62978023	15.15183489	40.04040352	37.032014	25.061506	27.31149313	31.0062278	23.49966545	26.12975449	30.47300427	27.27366308	20.2444799	22.96283906	24.65798549	20.45704874	29.70739616	21.78830614	23.52848834	30.65134593	20.49307736	21.83334191	21.85315765	18.47367337	18.91682536	21.69463174	17.31175048	23.69962427	19.92742807	17.97107417	15.77512996	16.65783108	14.59519275	17.02532297	14.58258274	23.69421998	13.39363838	17.38380771	12.92886922	11.23192135	21.03170518	13.11982089	15.25811931	14.26372948	12.30377271	10.89685522	11.53456174	11.32739719	10.48612898	7.236347728	7.209326265	7.800195584	7.74975552
CoA(3:0)	2.812804342	1.564416853	2.193615588	1.123977739	1.284137417	1.757466465	1.27269744	1.457167069	1.600166781	1.129697728	2.528234915	2.024875927	2.132125711	4.095511762	1.307017371	1.647356687	1.321317342	2.436715099	3.853842248	1.31273736	1.048187892	1.299867385	1.574426833	0.833688323	0.923778142	1.307017371	2.076355824	1.021017946	1.07392784	1.570136842	1.0438979	1.122547742	1.236947512	1.164017659	0.823678343	1.502926977	1.026737935	1.016727955	0.968108053	1.075357837	2.182175611	1.737446505	4.473031003	1.665946649	1.462887058	2.694114581	2.777054414	1.901896175	2.197905579	5.106519729	2.805654357	2.749884469	2.745594478	2.725574518	1.828966321	1.727436525	1.790356399	1.811806356
CoA(4:1)	0.260979821	0.103919567	0.191306475	0.217286367	0.203115517	0.199572804	0.121633129	0.207839134	0.183040146	0.154698446	0.209020038	0.167688392	0.277512479	0.251532588	0.175954721	0.446381775	0.322386838	0.244447163	0.233819025	0.290502425	0.18422105	0.273969767	0.134623075	0.151155734	0.197210996	0.153517542	0.286959713	0.197210996	0.142889404	0.266884342	0.172412009	0.0850251	0.153517542	0.103919567	0.083844196	0.1133668	0.1417085	0.094472333	0.092110525	0.139346692	0.238542642	0.106281375	0.108643183	0.138165788	0.111004992	0.203115517	0.183040146	0.094472333	0.12753765	0.112185896	0.132261267	0.103919567	0.101557758	0.122814033	0.093291429	0.077939675	0.077939675	0.086206004
CoA(4:0)	2.586180128	1.60366786	2.636959007	3.078617166	2.146883777	3.516732612	2.325200307	2.662938899	1.939044644	1.914245656	3.463591925	2.649948953	3.384471345	2.058315965	2.707813257	5.350676785	3.575777821	2.394873653	3.787159667	3.216782954	1.784346198	4.827536239	2.318114882	1.511557335	2.097285802	1.67452211	2.905024253	2.876682553	1.40527596	1.730024606	2.804647399	0.862060043	2.166959148	0.941180622	0.597537509	1.602486956	1.196255922	1.139572522	1.108869014	1.687512056	2.243717919	1.329698093	1.27773831	1.726481894	1.069899176	1.92369289	1.712311044	1.260024747	1.640275889	1.878818531	1.119497151	1.145477043	1.075803697	1.115954439	0.699095267	0.700276172	0.689648034	0.686105322
CoA(3:0, 3-OH)	0.196030092	0.138165788	0.227914504	0.232638121	0.152336638	0.256256204	0.153517542	0.201934613	0.114547704	0.167688392	0.275150671	0.183040146	0.219648175	0.168869296	0.192487379	0.418040075	0.229095409	0.153517542	0.271607959	0.257437109	0.138165788	0.33419588	0.164145679	0.118090417	0.183040146	0.136984883	0.207839134	0.187763763	0.082663292	0.12753765	0.171231104	0.0566834	0.175954721	0.068492442	0.0283417	0.101557758	0.101557758	0.087386908	0.069673346	0.121633129	0.175954721	0.109824088	0.086206004	0.132261267	0.072035154	0.135803979	0.135803979	0.096834142	0.115728608	0.151155734	0.0850251	0.109824088	0.093291429	0.094472333	0.053140688	0.060226113	0.050778879	0.060226113
CoA(4:1-CH3)	0.307481613	0.259473331	0.30405245	0.290335798	0.252615005	0.344059351	0.228610864	0.220609484	0.218323375	0.244613625	0.544093857	0.536092477	0.469795326	0.369206546	0.313196884	0.450363403	0.426359262	0.229753919	0.541807749	0.360062111	0.23546919	0.21946643	0.292621906	0.197748398	0.139452627	0.280048309	0.451506457	0.337201025	0.21946643	0.268617766	0.198891452	0.10058878	0.200034506	0.133737356	0.090301291	0.201177561	0.097159617	0.153169279	0.138309573	0.144024845	0.409213447	0.248042788	0.5555244	0.248042788	0.249185842	0.292621906	0.324627427	0.451506457	0.229753919	0.409213447	0.13488041	0.118877649	0.117734595	0.107447106	0.041149956	0.040006901	0.052580499	0.062867988
CoA(4:0-CH3)	1.194491766	0.881294882	1.335087448	0.914443457	0.534949423	1.156770974	0.86757823	1.265361134	0.634395149	0.436646751	1.847175784	1.27221946	1.779735579	1.394526273	1.591131616	1.85403411	1.435676228	1.178489006	1.967196488	1.656285712	0.880151828	0.980740608	1.170487626	0.636681257	0.699549245	1.119050181	1.671145418	1.216209798	1.021890564	0.895011534	1.123622398	0.525804988	0.957879522	0.625250714	0.345202405	1.160200137	0.57381327	0.80128108	0.709836734	1.013889183	1.113334909	0.841287981	1.109905746	1.144197376	0.733840875	0.968167011	1.13733905	0.877865719	1.323656905	1.623137137	0.676688159	0.651540963	0.709836734	0.702978408	0.373778763	0.422930099	0.496085576	0.411499556
CoA(2:0-COOH)_and_CoA(4:0-OH)	0.835572709	0.419500936	0.496085576	0.522375825	0.622964605	0.524661934	0.353203785	0.459507837	0.474367544	0.389781524	0.66640067	0.616106279	1.28022084	0.699549245	0.795565808	1.232212559	0.953307304	0.810425514	0.773847776	0.928160109	0.465223109	0.67440205	0.45493562	0.500657793	0.58181465	0.598960465	1.082472443	0.72469644	0.58981603	0.882437936	0.533806368	0.344059351	0.436646751	0.321198264	0.293764961	0.42064399	0.443505077	0.336057971	0.278905255	0.376064872	0.872150448	0.394353741	0.418357882	0.392067632	0.341773242	0.761274178	0.62410766	0.458364783	0.516660553	0.449220348	0.305195504	0.259473331	0.288049689	0.301766341	0.174887311	0.186317854	0.194319235	0.180602583
CoA(6:1)	0.560333548	0.581208719	0.542754456	0.610873436	0.610873436	0.473536782	0.407615188	0.396628256	0.43178644	0.379049164	0.24830467	0.240613817	0.254896829	0.303239332	0.21754126	0.239515124	0.249403363	0.3570753	0.295548479	0.235120351	0.463648543	0.380147858	0.560333548	0.337298822	0.349384447	0.174692224	0.309831491	0.184580463	0.236219045	0.318621037	0.581208719	0.621860368	0.599886504	0.570221787	0.408713882	0.617465595	0.472438089	0.482326328	0.420799507	0.458155077	0.338397515	0.374654392	0.377950471	0.220837339	0.276870694	0.362568766	0.347187061	0.306535411	0.324114503	0.4218982	0.791059126	0.852585947	0.88444805	0.843796401	0.42519428	0.464747236	0.502102806	0.469142009
CoA(6:0)	1.453571144	1.052548115	1.386550857	1.078916752	0.854783333	1.388748243	0.787763046	1.343701821	0.720742759	0.583406105	1.025080784	0.835006855	1.040462489	1.212957326	0.88774413	1.508505805	1.508505805	1.126160561	1.089903685	1.175601757	0.885546744	1.357984833	1.262398522	0.810835604	0.867967652	0.675696337	1.134950107	0.988823907	0.575715253	0.842697708	1.539269216	1.048153342	1.103088003	0.888842823	0.57461656	1.416215574	1.063535047	1.016291238	0.770183955	1.070127206	0.797651285	0.845993787	0.647130313	0.640538153	0.473536782	0.983330441	0.806440831	0.654821165	0.905323222	0.844895094	1.364576992	1.439288132	1.373366538	1.382156084	0.780072194	0.733927078	0.811934297	0.85698072
CoA(3:0-COOH)	0.283462853	0.262587682	0.331805356	0.255995523	0.250502057	0.257094216	0.287857626	0.281265467	0.259291602	0.237317738	0.390036097	0.28566024	0.326311889	0.382345244	0.294449786	0.328509276	0.293351093	0.255995523	0.526274057	0.312028877	0.28236416	0.314226264	0.355976607	0.220837339	0.201060861	0.269179841	0.436181212	0.240613817	0.206554327	0.272475921	0.354877913	0.290055013	0.294449786	0.296647172	0.221936033	0.419700814	0.241712511	0.326311889	0.313127571	0.35048314	0.252699443	0.306535411	0.528471444	0.287857626	0.215343873	0.275772001	0.309831491	0.234021658	0.32301581	0.606478663	0.304338025	0.374654392	0.39113479	0.308732798	0.162606598	0.17688961	0.234021658	0.186777849
CoA(4:1-COOH)	0.362595719	0.255949919	0.296475323	0.243152423	0.170633279	0.337000727	0.178098485	0.308206361	0.118376838	0.174899111	0.490570678	0.306073445	0.372193841	0.450045274	0.286877201	0.297541781	0.271946789	0.342333017	0.42018445	0.45217819	0.213291599	0.237820133	0.270880331	0.182364317	0.172766195	0.282611369	0.330601979	0.321003857	0.223956179	0.310339277	0.347665307	0.239953049	0.275146163	0.219690347	0.159968699	0.296475323	0.199427645	0.211158683	0.183430775	0.253817003	0.229288469	0.174899111	0.306073445	0.301807613	0.203693477	0.390323627	0.302874071	0.242085965	0.428716114	0.330601979	0.456444022	0.442580068	0.451111732	0.469241518	0.223956179	0.238886591	0.229288469	0.204759935
CoA(4:0-COOH)	0.143971829	0.170633279	0.164234531	0.156769325	0.189829523	0.163168073	0.129041418	0.158902241	0.140772455	0.08531664	0.061854564	0.065053938	0.109845174	0.08531664	0.078917892	0.081050808	0.081050808	0.09064893	0.083183724	0.092781846	0.13330725	0.164234531	0.140772455	0.11731038	0.102379968	0.087449556	0.125842044	0.059721648	0.055455816	0.073585602	0.214358057	0.193028897	0.165300989	0.186630149	0.129041418	0.197294729	0.129041418	0.140772455	0.115177464	0.155702867	0.077851434	0.066120396	0.081050808	0.10131351	0.06398748	0.110911632	0.109845174	0.092781846	0.081050808	0.092781846	0.348731765	0.314605109	0.346598849	0.339133643	0.145038287	0.154636409	0.157835783	0.171699737
CoA(8:1)	1.033477724	1.674468552	1.361972192	1.89310935	2.252533492	1.235053875	1.088937829	1.210523444	1.480358185	1.187059553	0.239971608	0.283699767	0.210108474	0.193043827	0.237838527	0.313562901	0.292232091	0.268768201	0.259169336	0.268768201	1.46862624	1.638206176	1.371571056	1.255318144	1.310778249	0.391420356	0.318895603	0.26663512	0.255969715	0.33489371	1.6915332	2.031759613	1.395034947	1.635006554	1.457960835	1.810985733	1.588078773	1.772590276	1.310778249	1.44622889	0.181311881	0.22290696	0.209041934	0.149315667	0.151448748	0.252770094	0.187711124	0.185578043	0.210108474	0.254903174	1.273449332	1.344907544	1.220122308	1.251051982	0.750844497	0.706049797	0.710315959	0.71244904
CoA(8:0)	2.840510859	3.509792739	3.573446008	3.562938451	3.834972399	2.513097863	2.247676466	2.910599633	2.115256934	1.889523641	0.681892655	0.737316498	0.713965661	0.706696121	0.735377527	0.849226457	0.838006451	0.966661096	0.749797155	0.785349215	2.417956053	2.361678978	2.907214433	2.202301568	2.19606444	0.587495291	0.741111249	0.659655286	0.549524316	0.729261984	3.710106106	4.248062724	3.217974466	3.035969333	2.458207291	4.249468425	3.570579147	3.535594487	2.489363071	3.134195578	0.648904558	0.740748625	0.557263134	0.578747526	0.524196113	0.718274484	0.50444805	0.59846146	0.663838258	0.628527236	3.462677247	3.461655501	3.416496044	3.286222391	1.97619712	1.886722906	1.991994717	2.099557458
CoA(9:1)	0.190501581	0.204816729	0.154163129	0.216929546	0.225738868	0.150859634	0.171781773	0.168478277	0.227941198	0.202614398	0.085890886	0.10350953	0.126633999	0.096902538	0.104610695	0.149758468	0.136544486	0.145353808	0.111217686	0.125532834	0.177287599	0.229042364	0.199310903	0.191602746	0.178388764	0.134342156	0.110116521	0.135443321	0.090295547	0.118925843	0.286302954	0.276392467	0.229042364	0.336956554	0.231244694	0.271987807	0.28960645	0.231244694	0.231244694	0.23675052	0.101307199	0.112318851	0.066069913	0.116723512	0.079283895	0.099104869	0.114521182	0.077081565	0.109015356	0.115622347	0.410734623	0.415139284	0.371092675	0.355676363	0.333653058	0.356777528	0.345765876	0.34466471
CoA(9:0)	0.339864731	0.498345529	0.436479866	0.554600756	0.436044905	0.311221222	0.352430128	0.415470735	0.356578217	0.295913924	0.159147003	0.109233386	0.15906882	0.197874983	0.159795589	0.168161141	0.147234598	0.146503424	0.175764687	0.17457653	0.30242071	0.396128768	0.436036096	0.327660517	0.307835139	0.122090591	0.163743267	0.133010847	0.110330147	0.127774806	0.644644137	0.654276029	0.352082159	0.567762984	0.339786549	0.541221599	0.415327583	0.476331035	0.344191209	0.483582207	0.128135988	0.130525517	0.205939917	0.129058765	0.093625471	0.151443251	0.133646219	0.101516421	0.140710194	0.168792109	0.639822134	0.641658878	0.629898433	0.639987309	0.348905298	0.317254506	0.357810421	0.376621626
CoA(10:3)	0.101292104	0.185512504	0.072839266	0.101292104	0.093325309	0.087634741	0.110397012	0.089910968	0.076253606	0.109258898	0.225346478	0.132021169	0.086496628	0.152507212	0.171855142	0.116087579	0.149092872	0.149092872	0.693111136	0.19689364	0.402892188	0.388096712	0.205998548	0.159335893	0.252661202	0.320948014	0.336881603	0.210551002	0.315257446	0.250384975	0.136573623	0.114949466	0.155921553	0.108120785	0.110397012	0.149092872	0.085358514	0.151369099	0.079667947	0.072839266	0.072839266	0.102430217	0.069424925	0.081944174	0.059181903	0.091049082	0.06145813	0.09673965	0.066010584	0.088772855	0.142264191	0.145678531	0.159335893	0.124054374	0.129744942	0.145678531	0.149092872	0.129744942
CoA(10:2)	0.03392944	0.031871731	0.019475399	0.03392944	0.030109931	0.037462145	0.028539335	0.029285937	0.048752231	0.024091587	0.040726254	0.052726523	0.028461943	0.032631991	0.051338025	0.050778073	0.035222337	0.044327246	0.013625495	0.058139391	0.071054704	0.075830228	0.050473059	0.030865639	0.04162764	0.09566527	0.058917861	0.051192346	0.055216716	0.069151778	0.055722038	0.050882779	0.042560893	0.085654424	0.066097081	0.085299332	0.043362125	0.052084627	0.051852452	0.061585599	0.019475399	0.047482096	0.011822723	0.033433223	0.032113011	0.038286139	0.041008507	0.040038834	0.024656091	0.064672163	0.065441528	0.079922884	0.077528293	0.069393058	0.079112547	0.069679862	0.053432154	0.065455185
CoA(10:1)	0.322378959	0.450036983	0.440934424	0.419118609	0.538971924	0.342539994	0.314908054	0.308010686	0.36198735	0.284588182	0.239809479	0.230738659	0.18744646	0.226896789	0.258181126	0.227503576	0.241453953	0.261102345	0.274169927	0.230240676	0.460089512	0.428921099	0.443773207	0.336318191	0.376300174	0.373604939	0.407714766	0.203565079	0.290829578	0.347591342	0.51385334	0.658838969	0.46498717	0.556624101	0.407054278	0.670468122	0.464913456	0.656452172	0.411779124	0.471203692	0.199654357	0.321132115	0.234501809	0.163088718	0.267916622	0.24344831	0.26823635	0.219386678	0.295917383	0.321826856	0.520925941	0.52073177	0.516399618	0.465932951	0.351227406	0.340714078	0.336518299	0.380936721
CoA(10:0)	0.958223675	1.060290489	1.003084135	0.912903994	0.876838992	0.841419394	0.826889829	0.777447392	0.746304928	0.602056553	0.875909099	0.750413013	0.736186079	0.663131723	0.644319975	0.521949822	0.648135102	1.062877	0.754384131	0.518283668	0.675821399	0.612678308	1.074524119	0.688346474	0.573133006	0.6098006	0.779655752	0.492284985	0.53547176	0.80567315	0.979303892	1.066119204	0.854054637	0.798961385	0.632899872	1.242595031	0.995187496	1.041300292	0.731481063	0.926321983	0.641737643	0.783068902	0.65560338	0.451622383	0.529612957	0.704857297	0.629737532	0.696827946	0.655643715	0.702198925	1.202861576	1.143697537	1.227178382	1.212473386	0.669903123	0.643555625	0.728162037	0.759357062
CoA(11:2)	0.141873191	0.162978294	0.153598248	0.187600914	0.215741051	0.250916222	0.136010662	0.141873191	0.235673648	0.222776085	0.196980959	0.167668317	0.194635948	0.174703351	0.143045697	0.264986291	0.268503808	0.262641279	0.204015994	0.211051028	0.212223534	0.215741051	0.238018659	0.15594326	0.199325971	0.14773572	0.121940594	0.119595583	0.10669802	0.171185834	0.151253237	0.138355674	0.144218202	0.116078065	0.119595583	0.141873191	0.138355674	0.103180503	0.126630617	0.126630617	0.140700685	0.159460777	0.134838157	0.075040366	0.105525514	0.154770754	0.167668317	0.136010662	0.125458111	0.174703351	0.187600914	0.186428408	0.205188499	0.193463442	0.151253237	0.15594326	0.148908225	0.162978294
CoA(11:1)	0.101711353	0.086851016	0.086550854	0	0	0.11384796	0	0	0	0	0	0	0.102666945	0.125625779	0.121534907	0.17350974	0.16263006	0.181935366	0.126417221	0.135143008	0	0.151121916	0	0	0	0	0.128187704	0.127233285	0	0	0.109046549	0.110246022	0	0	0	0.126333973	0	0	0.07381627	0	0.098302879	0.109455753	0.074225474	0.104409289	0	0.155619648	0.119245003	0	0	0.152593411	0.136151363	0.130397878	0.16382836	0.140296171	0.109046549	0.115645411	0.096367072	0.123198693
CoA(11:0)	0.182831781	0.168971218	0.161964099	0.238468714	0.189466858	0.202808179	0.18056973	0.187655469	0.217779392	0.183665176	0.148266902	0.192568594	0.155775279	0.097359834	0.142295502	0.163256968	0.153716227	0.15543835	0.126598872	0.164480063	0.174193861	0.168856553	0.226007214	0.19363969	0.169392287	0.166601072	0.148711826	0.140593047	0.155693585	0.151561317	0.229049836	0.192590608	0.170088166	0.202674941	0.186290285	0.174679349	0.202867621	0.192010839	0.153768369	0.158210993	0.116315943	0.141073852	0.092760016	0.094642944	0.121680778	0.122710541	0.097953246	0.125461962	0.138268255	0.13706205	0.172593826	0.223546645	0.226300139	0.192140956	0.161044505	0.175673385	0.146981122	0.156210838
CoA(12:3)	0.026598907	0	0.014508495	0.027807948	0.015717536	0.031435072	0.014508495	0.010881371	0.022971783	0.020553701	0.084632886	0.058033979	0.061661103	0.083423845	0.055615897	0.049570691	0.056824938	0.072542474	0.07858768	0.054406856	0.064079185	0.091887134	0.050779732	0.036271237	0.036271237	0.077378639	0.082214804	0.060452062	0.06891535	0.106395629	0.031435072	0.018135619	0	0.024180825	0.041107402	0.026598907	0	0.020553701	0	0.024180825	0.038689319	0.036271237	0.082214804	0.018135619	0.035062196	0.035062196	0.047152608	0.042316443	0.039898361	0.071333433	0.043525484	0.064079185	0.045943567	0.041107402	0.042316443	0.042316443	0.043525484	0.024180825
CoA(12:2)	0.076113982	0.09793234	0.144944699	0.12436319	0.120651434	0.097426961	0.105046339	0.098129414	0.103050211	0.143173454	0.138423131	0.131224499	0.098243064	0.104682417	0.127822257	0.11750309	0.12166461	0.134711374	0.131731088	0.101335791	0.10648147	0.11235862	0.136735309	0.078841579	0.106649527	0.186250384	0.164037878	0.105609752	0.136257738	0.133981113	0.12644395	0.121635593	0.118486041	0.093265441	0.079600857	0.10392193	0.079796721	0.12020167	0.110022752	0.102937771	0.114887934	0.111485692	0.119303353	0.091409562	0.11885238	0.099507721	0.127400302	0.11334157	0.11114837	0.12998765	0.134991872	0.129453254	0.126303701	0.095318393	0.086742663	0.102460199	0.085421181	0.104146812
CoA(12:1)	0.39553213	0.570023043	0.623684873	0.452706057	0.390181106	0.381459611	0.390423339	0.368094829	0.389399937	0.338515868	0.65451741	0.733774563	0.628028125	0.551259668	0.51767259	0.471479665	0.468674561	0.68146151	0.679320594	0.485073636	0.370945212	0.328082194	0.640165882	0.400114629	0.30926848	0.778227846	0.67389798	0.510066023	0.566458781	0.651303394	0.480320495	0.554519187	0.432698931	0.390309921	0.380699356	0.579138341	0.528184171	0.541353088	0.451621635	0.489760817	0.616807822	0.75374589	0.697402951	0.467861157	0.549941861	0.707707233	0.57453677	0.67135849	0.676398622	0.701245476	0.704407207	0.730312165	0.661689723	0.670616563	0.41147024	0.429353169	0.389830396	0.438868644
CoA(12:0)	0.820425746	0.972254823	0.790744253	0.75465651	0.633522	0.739519687	0.623827143	0.665802055	0.57556067	0.472688219	0.890645332	0.959444014	0.873764175	0.660858137	0.595066385	0.548582596	0.591159913	1.12269353	0.866575893	0.514674243	0.541005722	0.401116076	0.867799199	0.533456802	0.422210411	0.706247365	0.892470062	0.518395157	0.667907908	0.907870812	0.749670284	0.839493105	0.583624276	0.53436864	0.521962968	1.01976875	0.833478972	0.746412336	0.651988856	0.675040819	0.844581633	0.874162836	0.706509833	0.533201581	0.674280147	0.792602503	0.68166515	0.884242946	0.794305163	0.615474385	0.690140901	0.771155585	0.72675774	0.793633853	0.377643452	0.40620637	0.413509112	0.405321431
CoA(13:0)	0.276025466	0.244328762	0.246970154	0.264139202	0.219235537	0.208669969	0.169049089	0.206028577	0.245649458	0.158483521	0.342060266	0.289232426	0.232442497	0.245649458	0.283949642	0.211311361	0.219235537	0.279987554	0.30111869	0.258856418	0.219235537	0.204707881	0.302439386	0.223197625	0.202066489	0.368474186	0.322249826	0.202066489	0.260177114	0.27470477	0.253573634	0.25489433	0.209990665	0.175652569	0.183576745	0.273384074	0.237725281	0.272063378	0.173011177	0.199425097	0.283949642	0.285270338	0.256215026	0.26149781	0.225839017	0.279987554	0.272063378	0.293194514	0.279987554	0.310363562	0.244328762	0.278666858	0.285270338	0.269421986	0.188859529	0.191500921	0.182256049	0.200745793
CoA(12:0-OH)	0.034028466	0.015022337	0.036555362	0.014508495	0.015995616	0.020541611	0.023987378	0.007471875	0.026997891	0	0	0.019580423	0.045073057	0.054805839	0.006740405	0.016684769	0.019622739	0.021593476	0.031846146	0.025849302	0.012368492	0.000332486	0.025686081	0.005978709	0	0.019943135	0.039680733	0.004189328	0.018480195	0.016007706	0.039608191	0.040702373	0	0.023413083	0.0130516	0.018540647	0.026478003	0.039209207	0.024851843	0.016509458	0.049056848	0.047732948	0.028497102	0.019574378	0.015421321	0.033683889	0.03195496	0.048252836	0.008294023	0.018951721	0.03678508	0.004781758	0	0	0.010174082	0.002690117	0	0.005513228
CoA(14:2)	0.715895254	1.009819729	0.894869068	0.710074968	0.512185223	0.382683845	0.746451759	0.587848949	0.590759092	0.497634506	1.06365738	1.02000523	0.683883678	0.651872101	0.691159036	0.400144705	0.405964992	0.56311273	0.87886328	0.483083789	0.557292444	0.330301266	1.165512396	0.566022874	0.42197078	0.939976289	1.024370445	0.555837372	0.810474912	0.724625684	0.921060358	1.130590676	0.637321385	0.536921441	0.451072213	1.025825517	0.889048781	0.822115485	0.749361902	0.857037205	0.875953136	0.980718295	0.728990899	0.643141671	0.819205342	0.822115485	0.755182189	1.040376233	0.944341504	0.916695143	1.114584888	1.06365738	1.076753025	1.121860246	0.680973535	0.675153248	0.673698176	0.686793821
CoA(14:1)	1.214647255	1.459983977	1.487025028	1.050782906	0.783131205	0.714079325	1.008003799	1.037780385	0.782863472	0.596823831	1.684716884	1.812588581	1.619320143	1.459425229	1.160274138	0.719678441	0.752586341	1.459215699	1.794126632	0.988179903	0.860284925	0.495027018	1.654567799	0.775052647	0.592446975	1.54817296	1.823810093	0.959369484	1.352529845	1.634324842	1.40157158	1.529873979	1.050491891	0.859330398	0.703148827	1.838221123	1.483218561	1.456177509	1.131405516	1.215648345	1.561594541	1.988058582	1.450566753	1.272559107	1.532120609	1.929075797	1.443687174	2.148209588	2.016286972	1.653718037	1.665277126	1.574131438	1.65581334	1.529257028	0.973547702	0.978471665	0.904402697	0.949707808
CoA(14:0)	1.367105654	1.784818901	1.633483243	1.504911776	1.317446556	1.391034327	1.314315975	1.724505279	1.531451533	1.180043447	1.464616587	1.955257462	1.538786416	1.070104534	1.232172432	0.988620032	1.100463861	1.725495219	1.340906809	0.922835472	1.185539556	1.087788488	2.040844203	1.266719341	1.045987537	1.437615483	1.635965165	0.89811437	1.193371705	1.388878527	1.893051694	2.178368758	1.313311153	1.478924864	1.473657223	2.188866284	1.839251405	1.981945122	1.776501336	1.776776931	1.336751655	1.557245988	1.269466294	1.027617166	1.237135172	1.372616646	1.29791014	1.883266307	1.409511905	1.108770494	1.691168969	1.444028407	1.528896763	1.506150394	1.039224331	0.953405079	0.878424355	0.962386645
CoA(15:2)	0.067401891	0.043889603	0.067401891	0.064266919	0.076806806	0.07523932	0.043889603	0.059564462	0.083076749	0.040754632	0.092481664	0.078374292	0.086211721	0.086211721	0.070536863	0.108156523	0.111291494	0.119128923	0.117561438	0.086211721	0.064266919	0.043889603	0.070536863	0.061131948	0.054862004	0.092481664	0.086211721	0.100319093	0.083076749	0.090914178	0.050159547	0.05642949	0.047024575	0.05642949	0.047024575	0.053294518	0.05642949	0.054862004	0.053294518	0.054862004	0.098751608	0.105021551	0.097184122	0.059564462	0.087779207	0.089346693	0.083076749	0.078374292	0.076806806	0.087779207	0.059564462	0.039187146	0.042322118	0.03761966	0.03761966	0.048592061	0.032917203	0.020377316
CoA(15:1)	0.150008394	0.199384198	0.148440908	0.176969151	0.147500417	0.149224651	0.122577392	0.141387222	0.137468508	0.144835691	0.236847109	0.199070701	0.218664274	0.1826121	0.210826845	0.218037279	0.255343442	0.263964614	0.273526278	0.228069189	0.12837709	0.152359623	0.204556901	0.130258073	0.123047638	0.293276599	0.292336108	0.22352348	0.253462459	0.29656832	0.168974973	0.19029278	0.170855956	0.157375578	0.158316069	0.209416107	0.184022837	0.213961816	0.187471306	0.168504727	0.204870398	0.234025635	0.21913452	0.193114255	0.179320379	0.221485748	0.239355087	0.269607563	0.207064879	0.224777469	0.171169453	0.151262383	0.166623744	0.182768848	0.116934443	0.101729831	0.104864802	0.117091192
CoA(15:0)_and_CoA(C14:1-OH)	0.304766271	0.400147784	0.394269712	0.322447511	0.298747125	0.281332357	0.230702565	0.340113076	0.390664494	0.250421537	0.332134573	0.357857016	0.341790286	0.312478301	0.351978944	0.316773212	0.324014997	0.349800139	0.350411458	0.329877394	0.259904826	0.304531148	0.362010853	0.253446784	0.240060455	0.392326029	0.425337281	0.267632531	0.316365666	0.357512169	0.395351277	0.424569213	0.28543917	0.409051103	0.324312819	0.372497334	0.332714543	0.400257508	0.343342097	0.309186581	0.340034702	0.326146777	0.330770861	0.312995571	0.243838096	0.410477515	0.333451261	0.424475164	0.393109772	0.369393712	0.391996857	0.337558074	0.378344056	0.378297031	0.248509204	0.223382406	0.243446225	0.226548728
CoA(14:0-OH)	0.049602888	0.050916273	0.067243873	0.060902305	0.07168498	0.063231948	0.027677255	0.033447536	0.031689179	0.023000743	0.074369165	0.084932225	0.08927429	0.090523082	0.046714877	0.082952817	0.092337419	0.117248671	0.072695497	0.077446649	0.036486264	0.015174979	0.055843979	0.031336072	0.016772571	0.073163435	0.111766904	0.104677496	0.072942384	0.105059311	0.065709437	0.04867993	0.031277221	0.03718243	0.014798906	0.082156174	0.052785155	0.033681505	0.047505779	0.042021141	0.131061461	0.093577599	0.042915391	0.05889706	0.062359229	0.09303215	0.082860952	0.108975064	0.077397845	0.050861728	0.012907057	0.030810718	0.018463465	0.019903164	0.020305074	0.01829983	0.006414773	0.023751454
CoA(16:3)	0.077685932	0.148466448	0.158824573	0.131202908	0.105307597	0.070780516	0.124297492	0.139834678	0.196804362	0.155371865	0.186446237	0.181267175	0.079412286	0.093223119	0.124297492	0.075959578	0.088044057	0.108760305	0.088044057	0.089770411	0.120844784	0.096675827	0.150192802	0.094949473	0.079412286	0.164003635	0.157098219	0.062148746	0.129476554	0.124297492	0.195078008	0.220973319	0.134655616	0.169182697	0.179540821	0.20025707	0.148466448	0.21752061	0.146740094	0.134655616	0.093223119	0.157098219	0.167456343	0.096675827	0.172635405	0.1277502	0.112213013	0.153645511	0.141561032	0.186446237	0.139834678	0.189898946	0.160550927	0.170909051	0.167456343	0.181267175	0.132929262	0.165729989
CoA(16:2)	0.651465596	1.232861935	1.110950264	0.937707183	0.671063168	0.565859152	0.93841844	0.779719892	0.63574369	0.482913019	0.838794001	0.944635041	0.63747695	0.368469556	0.663928146	0.384058533	0.482942367	0.532599215	0.622777045	0.48621726	0.69190544	0.558012873	1.237863182	0.596170476	0.489010501	1.043089013	0.983377879	0.525315727	0.7687023	0.653570022	1.121026993	1.242657268	0.68875657	0.738717257	0.552930486	1.115314487	1.098206319	0.975428019	0.880863523	1.02539561	0.663676099	0.695076752	0.638766536	0.583908183	0.847121933	0.663572517	0.568497021	1.196075056	0.838238115	0.579840893	1.219940175	1.066317107	1.169468488	1.194296911	0.787232984	0.775452344	0.692387093	0.783958091
CoA(16:1)	2.600116052	3.146182501	4.208362666	3.035022409	3.134993612	2.420760924	2.54121189	4.385766781	3.908585425	2.467284165	2.891564956	3.338147152	3.172980074	2.377216953	2.683423758	2.75540918	2.786656642	3.413387569	2.395908487	2.328835504	2.024527557	2.357693991	2.748605941	2.450439585	2.406233733	2.761762264	3.394579032	2.128004	2.443026931	2.998687082	3.242292849	3.074393066	2.309700309	3.064150141	3.41647251	2.947674694	3.318876602	3.614644832	2.707690974	2.846449679	2.312283598	2.303870269	2.166382835	2.229002929	2.331368466	2.63339612	2.059681227	2.839227821	3.124680009	1.839265844	3.760369131	3.548313572	3.834621876	3.424644993	3.335369669	3.44534338	3.117260061	3.302906256
CoA(16:0)	7.207301087	10.29302062	10.45810635	9.242762364	9.967892155	5.7704582	7.258253421	12.26631631	16.14797199	9.848493637	7.935151278	11.13815164	8.027010305	5.956210405	11.87541352	7.847320434	8.370639931	7.876224487	6.561961803	8.008649598	8.557899532	10.28446452	9.664145629	10.04703299	9.901393391	9.528134912	7.626114075	6.560207946	7.801809874	8.692345252	11.59342397	14.31246174	9.647204164	14.12879688	16.34712607	11.99838847	9.809117529	13.64223377	11.93333639	12.49046743	5.993972913	7.762626034	6.993022501	6.556710472	7.740803825	6.114543834	6.240964276	7.557291404	8.779496515	6.462197776	12.88143921	12.57527367	12.65972328	12.78999496	7.1678234	7.134053505	6.656845287	7.103839323
CoA(17:1)	0.422956742	0.483379134	0.529990694	0.538622464	0.516179861	0.403966848	0.355628934	0.457483823	0.547254234	0.416051326	0.588686731	0.569696837	0.583507669	0.493737259	0.700899745	0.645656415	0.74578495	0.738879534	0.652561831	0.597318502	0.403966848	0.452304761	0.488558196	0.431588513	0.46438924	0.688815266	0.680183496	0.678457142	0.60077121	0.783764739	0.561065067	0.542075172	0.433314867	0.573149545	0.507548091	0.497189967	0.535169756	0.657740893	0.573149545	0.500642675	0.605950272	0.526537986	0.49028455	0.523085277	0.454031115	0.592139439	0.590413085	0.559338712	0.680183496	0.504095383	0.460936532	0.450578407	0.448852053	0.479926426	0.384976953	0.398787786	0.374618829	0.355628934
CoA(18:3)	0.905452096	1.358178144	1.438185764	1.155231984	1.321101442	0.764950909	1.202065713	1.72309095	1.769924679	1.21182274	1.565027114	1.664548788	1.194260092	0.997168149	1.574784141	1.488922304	1.795292949	1.625520681	1.198162903	1.362080955	1.139620741	1.266462091	1.069370148	1.098641228	1.104495445	1.822612624	1.674305815	1.44403998	1.525999006	1.838223867	1.502582142	1.479165277	1.026439229	1.44013717	1.447942791	1.032293446	1.328907063	1.38940063	1.192308687	0.989362527	0.946431609	1.092787012	0.956188636	1.137669336	0.993265338	0.913257717	0.944480203	0.991313933	1.190357281	0.895695069	1.990433487	1.830418246	1.994336297	1.957259595	1.379643603	1.321101442	1.356226738	1.4147689
CoA(18:2)	9.988120126	16.21449269	15.79402532	10.04090174	12.61623972	6.672385773	15.94270094	24.28280654	15.96666615	10.24548513	8.079953987	8.871133735	7.271506253	5.702593891	10.88306	7.288173206	9.042266133	8.410953319	5.198688334	7.303950319	8.99274727	10.12049371	8.996501774	9.137715224	9.369294355	10.01108817	9.732591397	6.360293608	7.930047026	9.61715406	13.69509955	15.95737942	9.307551889	14.89031193	13.27955168	11.06317862	15.78251983	12.92101997	13.97479643	11.44838214	5.325648719	6.541032774	7.139392206	7.135222052	8.940400821	8.236858688	6.904548374	6.985305334	12.23630694	7.856297562	25.36401586	25.68392536	26.25928553	25.70912776	14.99447599	14.80961936	14.64577546	14.60817188
CoA(18:1)	12.17890008	16.18164697	18.24913389	12.12436175	12.94424254	7.771080376	12.57970686	24.77627388	19.45384721	12.05132562	11.50095215	12.79045435	11.51101673	11.04977284	15.1548151	12.19414332	13.8177542	13.44750108	9.350385108	11.89190719	11.23363682	11.40537467	13.29781447	12.52332551	11.17893335	14.03608589	13.67420955	9.114491432	11.84903092	14.49857686	17.35585871	18.42451743	12.41700007	18.9818454	18.85885324	16.93632934	19.5988091	19.57897368	16.19550803	16.55089481	8.222293955	11.247191	10.78973734	10.9033734	12.3731091	12.73860319	10.8094811	10.9138601	18.86523962	12.66300003	24.65842206	24.6118435	25.42921306	24.74764622	18.35384741	18.75452084	18.02499156	18.48571921
CoA(18:0)	4.159851817	5.245648601	3.989950487	3.923822228	3.789572898	3.001123646	4.106406851	3.266783796	3.887907816	3.504425388	5.648517042	7.925752567	4.644397637	8.000353934	4.331134046	2.770741079	3.050396353	4.819699108	6.985472888	3.246653839	3.505740226	2.860619674	5.811717639	3.737882586	3.160449936	3.953515753	4.871092694	3.125937189	4.156779448	4.234843152	4.401493749	6.780857428	4.994468691	4.093517039	4.452321936	6.43180172	3.969677239	4.155271406	3.936696142	4.580950866	4.954083285	5.855706302	8.88731617	4.209119578	4.004036062	5.480439186	6.059529111	6.307688715	5.522947373	7.469356391	4.967595297	4.709232635	4.561597191	4.536366303	4.624451894	4.085121524	4.086584	4.200282738
CoA(19:3)	0.175626484	0.212703186	0.216605997	0.241974267	0.216605997	0.23221724	0.158063836	0.171723673	0.195140538	0.218557402	0.267342537	0.265391132	0.236120051	0.189286322	0.294662212	0.30832205	0.290759401	0.261488321	0.292710807	0.261488321	0.193189133	0.199043349	0.171723673	0.13074416	0.202946159	0.286856591	0.243925672	0.249779889	0.240022862	0.335641725	0.243925672	0.191237727	0.150258214	0.167820863	0.154161025	0.191237727	0.173675079	0.154161025	0.193189133	0.169772268	0.173675079	0.191237727	0.337593131	0.187334916	0.185383511	0.204897565	0.183432106	0.177577889	0.249779889	0.243925672	0.169772268	0.148306809	0.236120051	0.167820863	0.089764647	0.10537589	0.122938539	0.107327296
CoA(19:2)	0.341534969	0.448241718	0.498502115	0.575414807	0.486793683	0.334630897	0.363191666	0.38103922	0.538197604	0.441673288	0.593785337	0.638905732	0.585886048	0.505737926	0.750467578	0.680501889	0.846562584	0.76427182	0.655086786	0.678409983	0.370614812	0.498693353	0.464949651	0.430921044	0.47284894	0.708488945	0.637621708	0.814485383	0.698591417	0.829378509	0.499071926	0.493791423	0.514402166	0.525919361	0.4690437	0.470374558	0.5447192	0.6505244	0.479893514	0.513972857	0.640338064	0.548430773	0.577409143	0.498170376	0.461331746	0.572132543	0.652807544	0.600833813	0.664227169	0.584933762	0.301269671	0.286325808	0.258049945	0.283945094	0.229071575	0.201798733	0.25039263	0.248394391
CoA(19:1)	0.494969213	0.759050553	0.747064569	0.850862732	0.7855697	0.536791023	0.476715853	0.486246884	0.64074864	0.590079634	0.795933583	0.76701203	0.787140269	0.779355691	0.90756251	0.787305569	0.825588325	0.779037042	0.889927886	0.850005753	0.536303796	0.610442861	0.842874022	0.661642001	0.590179015	0.990740118	0.913524084	0.843161581	0.923648428	0.995505645	0.813342835	0.819841272	0.696339628	0.774942151	0.742852874	0.883191697	0.891684299	0.882678875	0.75714044	0.852504434	0.770740096	0.740973273	0.870133477	0.571478557	0.685251571	0.901999709	0.839469413	0.896546748	0.84197903	0.783353637	0.45304785	0.406085867	0.335382118	0.410279125	0.295986561	0.305168064	0.324607878	0.30533761
CoA(19:0)	0.240130184	0.397198583	0.334264495	0.286475822	0.220288168	0.211611059	0.187717744	0.17289512	0.175511365	0.152421903	0.258051882	0.261580311	0.214242342	0.328373573	0.205405045	0.161534231	0.152960924	0.178154234	0.293418306	0.151933403	0.221427528	0.206528346	0.355749633	0.188573618	0.168021022	0.251848133	0.292490975	0.180088067	0.193685536	0.225898469	0.259830764	0.305871684	0.227271426	0.243050188	0.186471513	0.370344931	0.244418889	0.313816739	0.280347294	0.272615697	0.210388947	0.26865985	0.295833224	0.260067125	0.189596061	0.250966031	0.297622834	0.364812804	0.2387745	0.249829608	0.180848213	0.198286007	0.195203432	0.189968808	0.17073861	0.202792358	0.216031944	0.194966052
CoA(20:5)	0.811784638	1.200114308	1.933842731	1.18255166	1.508436358	0.786416368	0.962042852	1.580638357	1.894814623	1.221579767	1.042050472	1.120106688	1.510387763	1.285976145	1.625520681	1.842126678	1.568929925	1.467456845	1.038147662	1.506484953	1.572832736	2.208990889	1.289878956	1.405011873	1.239142416	1.412817494	1.422574521	0.880083826	1.246948037	1.836272462	1.395254846	1.598201005	1.042050472	1.892863218	1.7777303	1.176697444	0.92496615	1.21182274	1.293781766	1.100592634	0.684943288	0.971799879	0.952285825	0.677137667	0.919111934	0.815687448	0.739582639	0.433211994	0.995216743	0.987411122	1.686014248	1.766021868	1.734799382	1.666500194	1.405011873	1.387449225	1.344518306	1.334761279
CoA(20:4)	6.944739519	7.265033441	7.462593722	5.75506523	6.237950248	3.423926121	6.374158343	8.864551645	8.853360335	5.921520109	6.712658877	7.342182253	4.639485803	7.77837014	7.890595463	4.869849208	5.570208598	6.858175177	5.823344904	5.47716559	5.797996148	4.810565512	6.87434257	6.794403249	5.267379755	7.845156989	7.715047036	4.234774084	6.825498893	7.784087758	8.891529825	10.97750412	6.6482625	10.83430023	10.33076935	9.33668442	7.542201304	8.785548998	7.644620815	8.673723713	4.977283831	6.804101734	7.965870926	6.330661517	7.613242217	7.521828632	7.319399595	5.288367119	8.660629783	8.993422456	12.08965883	11.78029278	12.38554067	12.14107836	7.988663341	8.080798946	7.926579379	7.896674091
CoA(20:3)	0.785551115	0.82036765	0.994691766	0.95201136	0.918044368	0.583723257	0.524986443	0.854212581	0.996224595	0.755864872	0.879326973	0.796292723	0.606957616	0.805706547	0.888126397	0.810027202	0.955501546	0.871390705	0.763264309	0.745602139	0.610573961	0.720460232	0.757978001	0.690713594	0.670498742	0.939142915	0.905971218	0.82551175	0.782134545	0.961047098	0.961800634	0.947536641	0.796304432	1.080050677	1.064116916	0.841211197	0.960527878	1.083435341	0.886207678	0.768744246	0.736981367	0.654279001	0.909186695	0.556226784	0.625052657	0.656907545	0.725214977	0.68327669	0.881742033	0.696313834	0.725193756	0.753298335	0.765257328	0.745571794	0.607544696	0.581446552	0.543724032	0.551664057
CoA(20:2)	1.162364096	1.204497593	1.208283512	1.237462232	1.078129724	0.809086808	0.818967683	1.11406669	1.200270959	0.975134011	1.210197922	1.137497114	1.129883462	1.196719815	1.353413998	1.004898799	1.215525597	1.107844833	1.34880492	1.126777695	1.002553906	0.995524881	1.450991652	1.128333432	0.976901412	1.412874551	1.384178838	1.180386275	1.285763872	1.359180946	1.386398894	1.464429343	1.285802342	1.347018274	1.101340848	1.607576033	1.335834176	1.379735235	1.25415135	1.416364317	1.149406958	1.125446481	1.13396486	0.959154235	1.01816193	1.232418923	1.340281742	1.166414116	1.356227292	1.090500697	1.201734825	1.180378059	1.262674026	1.171664115	0.741474536	0.762560434	0.72277065	0.735358585
CoA(20:1)	1.693013146	1.628782963	1.794141321	1.468220306	1.150185659	0.977706077	1.142241616	1.098500439	1.164919078	1.136770405	1.532394555	1.509035273	1.753988788	2.426006358	1.659415788	1.21666259	1.486792995	1.503281304	1.89810947	1.455843044	1.230638988	1.14572607	2.401436687	1.486855505	1.243859102	1.66114564	2.002612692	1.419334805	1.608054988	1.877194653	2.088174821	1.718582121	1.746599577	1.312929053	1.28950475	2.167594609	1.694962955	1.683182096	1.643545165	1.662625927	1.755255927	1.742879348	2.005169093	1.538965777	1.675403737	2.105059307	1.979267719	2.176414928	2.086393771	1.792479353	1.182284105	1.173458836	1.176008718	1.242934407	0.73510244	0.796652221	0.704453573	0.763247769
CoA(20:0)	0.263197381	0.37139013	0.343212535	0.29549582	0.307208011	0.348055403	0.290717808	0.226372273	0.303267594	0.180226315	0.423430673	0.412924338	0.411078099	0.486225185	0.337983618	0.27091395	0.332016614	0.433215178	0.411135861	0.295215345	0.304152433	0.237559462	0.430999929	0.341765202	0.294562096	0.329944466	0.39117371	0.3157552	0.356625758	0.38078547	0.399136876	0.388538324	0.343776455	0.261820788	0.237663394	0.382560989	0.245371508	0.241107708	0.318660693	0.269251061	0.326996604	0.385258199	0.507912919	0.280090965	0.267526056	0.359780769	0.556291928	0.389175867	0.397425913	0.483938088	0.320437369	0.247475376	0.297867682	0.259561633	0.183714951	0.204676811	0.187852548	0.164304088
CoA(21:3)	0.236120051	0.281002375	0.323933293	0.407843724	0.361009995	0.277099564	0.210751781	0.208800376	0.320030482	0.312224861	0.396135292	0.337593131	0.353204374	0.279050969	0.437114805	0.355155779	0.425406373	0.390281076	0.392232481	0.35905859	0.253682699	0.238071456	0.275148158	0.236120051	0.216605997	0.341495941	0.378572644	0.398086697	0.38442686	0.431260589	0.320030482	0.351252968	0.28295378	0.312224861	0.279050969	0.325884698	0.331738914	0.335641725	0.294662212	0.339544536	0.349301563	0.300516428	0.345398752	0.30832205	0.310273455	0.318079077	0.361009995	0.325884698	0.35905859	0.320030482	0.197091943	0.253682699	0.238071456	0.273196753	0.197091943	0.226363024	0.222460213	0.234168645
CoA(21:2)	0.538767414	0.699945693	0.662369431	0.768986415	0.731035483	0.563924932	0.491785378	0.400358133	0.621967534	0.56653201	0.844872667	0.773529287	0.732190715	0.651449366	0.912961104	0.802152501	0.887374276	0.779391308	0.997659903	0.813283317	0.506897061	0.624340443	0.82179925	0.558281468	0.604100466	0.862716318	0.866985993	0.916785858	0.811480218	1.030911851	0.686363911	0.753944982	0.791372937	0.630928387	0.626081096	0.861123971	0.680728252	0.7757695	0.744757766	0.743969398	0.797164709	0.689251991	0.686512218	0.578818058	0.621460168	0.809591258	0.760306564	0.900152079	0.744984129	0.680509695	0.388431144	0.387861333	0.407734446	0.379119037	0.263541199	0.329459673	0.291009181	0.27366509
CoA(21:1)	0.357377228	0.489635273	0.538127478	0.606258595	0.590409874	0.418050292	0.338962299	0.301756991	0.462147933	0.439129904	0.581367592	0.541189873	0.611704359	0.496812729	0.711791691	0.667697798	0.672647623	0.661309427	0.638762702	0.662147626	0.383559499	0.453991121	0.62185916	0.498893146	0.4433268	0.639220299	0.697130548	0.771719194	0.691685565	0.836787573	0.591167051	0.622144565	0.57757712	0.540829347	0.414705396	0.569205373	0.525653345	0.589643456	0.545448058	0.4597029	0.66453318	0.625864912	0.643833047	0.49195092	0.511008157	0.682208105	0.720724725	0.580991861	0.680061527	0.51788007	0.256688457	0.233355924	0.257734379	0.283434918	0.261512331	0.265416234	0.234030205	0.291236481
CoA(21:0)	0.109074817	0.077792194	0.103789239	0.041017888	0.062877553	0.125463473	0.086431956	0.056813045	0.074054699	0.036481854	0.068118621	0.046745248	0.067531591	0.088438363	0.037107422	0.067050183	0.083880257	0.064092851	0.106457874	0.048357555	0.132519516	0.059650664	0.134327868	0.092033272	0.111965523	0.100535934	0.086111001	0.037995179	0.032277507	0.092761436	0.113502031	0.081597683	0.062825395	0.050701417	0.051805113	0.106995332	0.054898871	0.088359253	0.083191739	0.107590455	0.075324168	0.120075179	0.14083276	0.108671964	0.076580412	0.098076549	0.076764846	0.155987472	0.069123162	0.108737261	0.069337404	0.121575754	0.067231202	0.092698603	0.037400985	0.071948504	0.057079582	0.07983554
CoA(22:6)	0.339012706	0.431455776	0.388580106	0.450558211	0.552698871	0.235114105	0.441885524	0.635555444	0.816435785	0.605390569	0.364588277	0.393119806	0.247590835	0.271816308	0.470651014	0.429142783	0.512513769	0.468608576	0.321837365	0.381172752	0.51312078	0.795150718	0.407477254	0.573752095	0.637149905	0.564688079	0.402904918	0.326115628	0.408920869	0.479976868	0.636922501	0.704089317	0.470747565	0.888191259	0.909493371	0.567634899	0.616324688	0.796756063	0.588720479	0.63974882	0.271805803	0.292502329	0.30504145	0.303947031	0.359433121	0.291855315	0.324280528	0.277430283	0.34102274	0.301985962	0.534180165	0.524497484	0.520832045	0.554139572	0.451093513	0.473300155	0.442326864	0.384319632
CoA(22:5)	0.326447358	0.314717189	0.371799328	0.427022946	0.378732236	0.226691433	0.283902505	0.532338921	0.583624846	0.417767594	0.25631439	0.185743941	0.137031635	0.197842643	0.287450834	0.221392053	0.273449525	0.196037062	0.176779689	0.238248645	0.411909469	0.580920819	0.427544711	0.496603493	0.40135878	0.322318483	0.260400554	0.236640072	0.253655977	0.22167423	0.422857895	0.500730449	0.39086103	0.639352818	0.487893297	0.448723703	0.388829669	0.578731823	0.484631145	0.410731168	0.152961874	0.198683922	0.157800025	0.202844322	0.24146611	0.19877968	0.166661074	0.154080856	0.211016955	0.175814885	0.457577815	0.419982744	0.379545716	0.411692904	0.348887506	0.367066382	0.318962484	0.382186905
CoA(22:4)	0.320501408	0.320286067	0.284518235	0.461728651	0.357645569	0.204521124	0.37558318	0.477364373	0.581004162	0.527494821	0.418694329	0.261317893	0.16900564	0.247818853	0.347738352	0.234576513	0.340053519	0.267600132	0.282158656	0.27306125	0.315658637	0.388215226	0.301636189	0.437770892	0.412839002	0.360140589	0.340033361	0.304521805	0.335177343	0.339910641	0.569672374	0.509362102	0.449517966	0.613735935	0.661520215	0.41168321	0.443964391	0.609048005	0.54491869	0.555855887	0.357885692	0.208666236	0.384489321	0.260738442	0.313564579	0.306222333	0.275850589	0.330400407	0.318071053	0.309621122	0.47867199	0.527166978	0.492172146	0.53034528	0.338645725	0.35742071	0.370394304	0.417627845
CoA(22:3)	0.157463356	0.192620524	0.203768379	0.288771344	0.200751155	0.170725628	0.1297972	0.192789799	0.261361541	0.179516277	0.293189018	0.226716083	0.263795161	0.211151293	0.291982071	0.281410347	0.336050344	0.335065013	0.317299109	0.267908985	0.191353978	0.213789494	0.222700381	0.208406661	0.204290959	0.278438107	0.310685058	0.368628713	0.276278452	0.375099598	0.214253512	0.275867377	0.220327932	0.258468644	0.21822268	0.210316233	0.264080779	0.280627917	0.196451598	0.235812406	0.265111994	0.265731015	0.188972658	0.21509341	0.19946952	0.282515198	0.314329892	0.243811547	0.311984074	0.258595313	0.214061731	0.160050743	0.161327168	0.181045814	0.158680808	0.18127038	0.126662343	0.139185833
CoA(22:2)	0.39965905	0.502563209	0.562891788	0.690426499	0.568790659	0.471664768	0.376651645	0.412796057	0.558136598	0.489097315	0.663041442	0.679636485	0.651768039	0.566685332	0.844540005	0.751029009	0.900478551	0.793165838	0.750497855	0.760985856	0.455748225	0.551035043	0.625056566	0.547211898	0.588252324	0.782295484	0.795478067	0.909753418	0.846723824	1.020887755	0.658355472	0.696471694	0.648508543	0.614770169	0.529503973	0.658413743	0.675180676	0.764700426	0.650813318	0.622911103	0.776638494	0.663447821	0.572867791	0.521744664	0.5590526	0.803700602	0.723222124	0.687189093	0.723256842	0.593302835	0.330522206	0.378155298	0.362525164	0.364184733	0.335244655	0.307590654	0.339621339	0.343338802
CoA(22:1)	0.685488674	0.789987661	0.796890039	0.810913102	0.696435851	0.799983219	0.493207833	0.45982919	0.576268962	0.479497421	0.799441936	0.838606367	0.866878724	0.671584194	1.024287649	0.914980331	1.20616381	1.145921858	0.790876494	1.001053799	0.763717419	0.675903851	1.000766056	0.881261126	0.715090766	0.935662569	0.944104277	1.033709694	0.963161302	1.29448894	1.058116272	0.848792137	0.969928719	0.842978323	0.655760978	0.874597924	0.847808041	0.862204997	0.813004493	0.771076235	1.043564394	1.058377411	0.799024724	0.881259285	0.855915654	1.010631201	1.007557955	1.040771753	1.118736679	0.799324256	0.450959607	0.474067645	0.445183581	0.505820257	0.412092225	0.463464068	0.438132952	0.371481868
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
coenzyme A	C21H36N7O16P3S	0	767.1152	Coenzyme A	0
CoA(2:0)	C23H38N7O17P3S	0	809.1258	Acetyl-CoA	0
CoA(3:0)	C24H40N7O17P3S	0	823.1414	Propionyl-CoA	0
CoA(4:1)	C25H40N7O17P3S	0	835.1414	Crotonoyl-CoA	0
CoA(4:0)	C25H42N7O17P3S	0	837.1571	Butyryl-CoA	0
CoA(3:0, 3-OH)	C24H40N7O18P3S	0	839.1363	3-Hydroxypropanoyl-CoA	0
CoA(4:1-CH3)	C26H42N7O17P3S	0	849.1571	Isopentenoyl-CoA	0
CoA(4:0-CH3)	C26H44N7O17P3S	0	851.1727	Isovaleryl-CoA	0
CoA(2:0-COOH)_and_CoA(4:0-OH)	C24H38N7O19P3S	0	853.1156	Malonyl-CoA/Hydroxybutyryl-CoA	0
CoA(6:1)	C27H44N7O17P3S	0	863.1727	Hexenoyl-CoA	0
CoA(6:0)	C27H46N7O17P3S	0	865.1884	Hexanoyl-CoA	0
CoA(3:0-COOH)	C25H40N7O19P3S	0	867.1313	Succinyl-CoA	0
CoA(4:1-COOH)	C26H40N7O19P3S	0	879.1313	Itaconyl-CoA	0
CoA(4:0-COOH)	C26H42N7O19P3S	0	881.1469	Glutaryl-CoA	0
CoA(8:1)	C29H48N7O17P3S	0	891.204	Octenoyl-CoA	0
CoA(8:0)	C29H50N7O17P3S	0	893.2197	Octanoyl-CoA	0
CoA(9:1)	C30H50N7O17P3S	0	905.2197	Nonenoyl-CoA	0
CoA(9:0)	C30H52N7O17P3S	0	907.2353	Nonanoyl-CoA	0
CoA(10:3)	C31H48N7O17P3S	0	915.204	Decatrienoyl-CoA	0
CoA(10:2)	C31H50N7O17P3S	0	917.2197	Decadienoyl-CoA	0
CoA(10:1)	C31H52N7O17P3S	0	919.2353	Decenoyl-CoA	0
CoA(10:0)	C31H54N7O17P3S	0	921.251	Decanoyl-CoA	0
CoA(11:2)	C32H52N7O17P3S	0	931.2353	Undecadienoyl-CoA	0
CoA(11:1)	C32H54N7O17P3S	0	933.251	Undecenoyl-CoA	0
CoA(11:0)	C32H56N7O17P3S	0	935.2666	Undecanoyl-CoA	0
CoA(12:3)	C33H52N7O17P3S	0	943.2353	Dodecatrienoyl-CoA	0
CoA(12:2)	C33H54N7O17P3S	0	945.251	Dodecadienoyl-CoA	0
CoA(12:1)	C33H56N7O17P3S	0	947.2666	Dodecenoyl-CoA	0
CoA(12:0)	C33H58N7O17P3S	0	949.2823	Lauroyl-CoA	0
CoA(13:0)	C34H60N7O17P3S	0	963.2979	Tridecanoyl-CoA	0
CoA(12:0-OH)	C33H58N7O18P3S	0	965.2772	Hydroxydodecanoyl-CoA	0
CoA(14:2)	C35H58N7O17P3S	0	973.2823	Tetradecadienoyl-CoA	0
CoA(14:1)	C35H60N7O17P3S	0	975.2979	Tetradecenoyl-CoA	0
CoA(14:0)	C35H62N7O17P3S	0	977.3136	Myristoyl-CoA	0
CoA(15:2)	C35H56N7O18P3S	0	987.2615	Pentadecadienoyl-CoA	0
CoA(15:1)	C35H58N7O18P3S	0	989.2772	Pentadecenoyl-CoA	0
CoA(15:0)_and_CoA(C14:1-OH)	C35H60N7O18P3S	0	991.2928	Pentadecanoyl-CoA/Hydroxytetradecenoyl-CoA	0
CoA(14:0-OH)	C35H62N7O18P3S	0	993.3085	Hydroxytetradecanoyl-CoA	0
CoA(16:3)	C37H60N7O17P3S	0	999.2979	Hexadecadienoyl-CoA	0
CoA(16:2)	C37H62N7O17P3S	0	1001.3136	Hexadecatrienoyl-CoA	0
CoA(16:1)	C37H64N7O17P3S	0	1003.3292	Palmitoleoyl-CoA	0
CoA(16:0)	C37H66N7O17P3S	0	1005.3449	Palmitoyl-CoA	0
CoA(17:1)	C38H66N7O17P3S	0	1017.3449	Heptadecenoyl-CoA	0
CoA(18:3)	C39H64N7O17P3S	0	1027.3292	gamma-Linolenoyl-CoA	0
CoA(18:2)	C39H66N7O17P3S	0	1029.3449	Linoleoyl-CoA	0
CoA(18:1)	C39H68N7O17P3S	0	1031.3605	Oleoyl-CoA	0
CoA(18:0)	C39H70N7O17P3S	0	1033.3762	Stearoyl-CoA	0
CoA(19:3)	C40H64N7O17P3S	0	1039.3292	Nonadecatrienoyl-CoA	0
CoA(19:2)	C40H66N7O17P3S	0	1041.3449	Nonadecadienoyl-CoA	0
CoA(19:1)	C40H68N7O17P3S	0	1043.3605	Nonadecenoyl-CoA	0
CoA(19:0)	C40H70N7O17P3S	0	1045.3762	Nonadecanoyl-CoA	0
CoA(20:5)	C41H64N7O17P3S	0	1051.3292	Eicosapentenoyl-CoA	0
CoA(20:4)	C41H66N7O17P3S	0	1053.3449	Arachidonyl-CoA	0
CoA(20:3)	C41H68N7O17P3S	0	1055.3605	Eicosatrienoyl-CoA	0
CoA(20:2)	C41H70N7O17P3S	0	1057.3762	Eicosadienoyl-CoA	0
CoA(20:1)	C41H72N7O17P3S	0	1059.3918	Eicosenoyl-CoA	0
CoA(20:0)	C41H74N7O17P3S	0	1061.4075	Eicosanoyl-CoA	0
CoA(21:3)	C42H68N7O17P3S	0	1067.3605	Heneicosatrienoyl-CoA	0
CoA(21:2)	C42H70N7O17P3S	0	1069.3762	Heneicosadienoyl-CoA	0
CoA(21:1)	C42H72N7O17P3S	0	1071.3918	Heneicosenoyl-CoA	0
CoA(21:0)	C42H74N7O17P3S	0	1073.4075	Heneicosanoyl-CoA	0
CoA(22:6)	C43H66N7O17P3S	0	1077.3449	Docosahexaenoyl-CoA	0
CoA(22:5)	C43H68N7O17P3S	0	1079.3605	Docosapentaenoyl-CoA	0
CoA(22:4)	C43H70N7O17P3S	0	1081.3762	Docosatetraenoyl-CoA	0
CoA(22:3)	C43H70N7O17P3S	0	1081.3762	Docosatrienoyl-CoA	0
CoA(22:2)	C43H72N7O17P3S	0	1083.3918	Docosadienoyl-CoA	0
CoA(22:1)	C43H74N7O17P3S	0	1085.4075	Docosenoyl-CoA	0
METABOLITES_END
#END