#METABOLOMICS WORKBENCH efahy_20230425_000043 DATATRACK_ID:3938 STUDY_ID:ST002663 ANALYSIS_ID:AN004335 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 White
ST:STUDY_TITLE                   	Adipose 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
#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           	-	80012817002_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a023.zip
SUBJECT_SAMPLE_FACTORS           	-	80013827002_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a024.zip
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450017012	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a025.zip
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571017012	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a026.zip
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a027.zip
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559017012	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a028.zip
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412017012	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a029.zip
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564017012	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a030.zip
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416017012	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a031.zip
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a032.zip
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422017012	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a033.zip
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410017012	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a034.zip
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a035.zip
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a036.zip
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a037.zip
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a038.zip
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585017012	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a039.zip
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a040.zip
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a041.zip
SUBJECT_SAMPLE_FACTORS           	-	80012817002_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a042.zip
SUBJECT_SAMPLE_FACTORS           	-	80013827002_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a043.zip
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430017012	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a044.zip
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449017012	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a045.zip
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a046.zip
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587017012	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a047.zip
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420017012	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a048.zip
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a050.zip
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421017012	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a051.zip
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a052.zip
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439017012	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a053.zip
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292017012	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a054.zip
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289017012	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a055.zip
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567017012	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a057.zip
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283017012	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a058.zip
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578017012	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a059.zip
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426017012	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a060.zip
SUBJECT_SAMPLE_FACTORS           	-	80012817002_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a061.zip
SUBJECT_SAMPLE_FACTORS           	-	80013827002_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a062.zip
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281017012	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a063.zip
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423017012	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a064.zip
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a065.zip
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a066.zip
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444017012	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a067.zip
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a068.zip
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a069.zip
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441017012	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a071.zip
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a072.zip
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a073.zip
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560017012	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a074.zip
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280017012	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a075.zip
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576017012	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a076.zip
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581017012	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a077.zip
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a078.zip
SUBJECT_SAMPLE_FACTORS           	-	80012817002_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a079.zip
SUBJECT_SAMPLE_FACTORS           	-	80013827002_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_CoA_081320_a080.zip
#COLLECTION
CO:SAMPLE_TYPE                   	White adipose
#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	90217017012	90218017012	90222017012	90223017012	90225017012	90229017012	90232017012	90237017012	90239017012	90245017012	90248017012	90251017012	90252017012	90254017012	90259017012	90265017012	90266017012	90267017012	90280017012	90281017012	90283017012	90289017012	90292017012	90410017012	90412017012	90416017012	90420017012	90421017012	90422017012	90423017012	90426017012	90430017012	90439017012	90441017012	90444017012	90449017012	90450017012	90559017012	90560017012	90564017012	90567017012	90571017012	90576017012	90578017012	90581017012	90585017012	90587017012	80012817002_1	80012817002_2	80012817002_3	80012817002_4	80013827002_1	80013827002_2	80013827002_3	80013827002_4
coenzyme A	8.21333552	5.732782935	10.16825253	8.848571709	8.517533131	7.23364027	7.184431832	5.444242553	4.896239502	3.068817084	2.762382725	3.200785166	3.867335815	4.647960569	3.681685802	4.205084634	4.303501509	5.072942527	3.733130986	5.124387711	3.860625574	4.392971394	5.115440723	4.533886465	2.605810425	3.34617373	2.813827909	3.509456272	4.37284067	4.370603923	6.555905885	4.811243111	4.894002755	4.354946693	3.813653884	5.840146798	3.929964735	3.921017747	3.507219525	3.650371342	3.775629182	3.50274603	3.856152079	4.102194265	3.370777949	3.674975561	2.974873704	4.02838161	4.321395486	4.509282246	4.692695512	4.196137646	4.348236452	4.3884979	4.410865372
CoA(2:0)	0.850176565	0.525923178	1.706284595	1.065686439	1.451231626	0.780976147	0.848199411	0.790861921	1.144772631	0.401362425	0.25109866	0.442882676	0.235281422	0.338093471	0.235281422	0.193761171	0.209578409	0.417179664	0.173989623	0.547671881	0.253075815	0.213532719	0.579306357	0.338093471	0.249121505	0.298550375	0.217487028	0.409271044	0.628735227	0.670255478	1.589632462	0.814587779	0.622803763	0.527900332	0.713752884	1.142795476	0.417179664	0.233304267	0.120606443	0.239235731	0.338093471	0.259007279	0.268893053	0.346002091	0.288664601	0.306458995	0.468585688	0.170035313	0.177943932	0.15224092	0.140377991	0.278778827	0.276801672	0.296573221	0.270870208
CoA(3:0)	0.04921582	0.025401713	0.085730783	0.046040606	0.084143176	0	0.060329069	0.046040606	0.100019246	0.042865391	0.074617533	0.071442319	0.028576928	0.050803427	0.066679498	0.12542096	0.095256425	0.307995775	0.079380354	0.023814106	0.025401713	0.03810257	0.041277784	0.153997887	0	0	0.080967961	0.058741462	0.098431639	0.100019246	0.04921582	0.084143176	0.082555569	0.088905997	0.071442319	0.063504283	0.017463678	0.025401713	0.019051285	0.031752142	0.017463678	0.063504283	0.019051285	0.022226499	0.015876071	0.02698932	0.106369675	0.053978641	0.052391034	0.046040606	0.041277784	0.050803427	0.041277784	0.044452998	0.055566248
CoA(4:1)	0.01701236	0.01701236	0.034024721	0.034024721	0.036860114	0.032607024	0.011341574	0.028353934	0.019847754	0.007088483	0.014176967	0.018430057	0.01701236	0.018430057	0.02126545	0.032607024	0.007088483	0.019847754	0.026936237	0.014176967	0.01275927	0.015594664	0.018430057	0.011341574	0.011341574	0.011341574	0.009923877	0.014176967	0.035442417	0.031189327	0.029771631	0	0.031189327	0.007088483	0.015594664	0.025518541	0.009923877	0.005670787	0.009923877	0.024100844	0.011341574	0.011341574	0.02126545	0.009923877	0.007088483	0.011341574	0.014176967	0.02126545	0.015594664	0.01275927	0.02126545	0.022683147	0.014176967	0.026936237	0.048201688
CoA(4:0)	0.474928393	0.472093	0.837858747	0.734366888	0.649305087	0.799580936	0.684747504	0.33032333	0.466422213	0.026936237	0.01701236	0.034024721	0.031189327	0.076555622	0.066631745	0.077973318	0.111998039	0.362930354	0.103491859	0.335994117	0.15878203	0.178629784	0.355841871	0.138934276	0.019847754	0.015594664	0.026936237	0.30905788	0.323234847	0.463586819	1.107221119	0.530218564	0.440903672	0.375689624	0.370018838	0.67765902	0.211236808	0.02126545	0.01701236	0.029771631	0.032607024	0.090732589	0.019847754	0.029771631	0.025518541	0.036860114	0.022683147	0.218325291	0.195642144	0.231084561	0.208401414	0.092150285	0.117668826	0.110580342	0.103491859
CoA(3:0, 3-OH)	0.056707868	0.025518541	0.072302531	0.051037081	0.062378655	0.052454778	0.045366294	0.031189327	0.036860114	0.002835393	0.025518541	0.022683147	0.00425309	0.026936237	0.019847754	0.028353934	0.009923877	0.041113204	0.01275927	0.032607024	0.014176967	0.022683147	0.029771631	0.01275927	0.01275927	0.007088483	0.048201688	0.038277811	0.062378655	0.053872474	0.099238769	0.042530901	0	0.051037081	0.042530901	0.055290171	0.02126545	0	0.009923877	0.009923877	0.00425309	0	0	0.00850618	0.002835393	0.01275927	0.028353934	0.02126545	0.024100844	0.011341574	0.035442417	0.014176967	0	0	0.018430057
CoA(4:1-CH3)	0.055454168	0.037431563	0.019408959	0.070704064	0.009704479	0.081794897	0.049908751	0.012477188	0.013863542	0.002772708	0.004159063	0.005545417	0.011090834	0.019408959	0.018022604	0.020795313	0.008318125	0.02634073	0.024954375	0.018022604	0.009704479	0.015249896	0.015249896	0.008318125	0.001386354	0.004159063	0.001386354	0.011090834	0.011090834	0.004159063	0.022181667	0.005545417	0.013863542	0.001386354	0.011090834	0.004159063	0.020795313	0.012477188	0.011090834	0.006931771	0.01663625	0.009704479	0.006931771	0.006931771	0	0.011090834	0.004159063	0.036045209	0.044363334	0.051295105	0.051295105	0.02634073	0.040204271	0.037431563	0.047136042
CoA(4:0-CH3)	0.07624948	0.040204271	0.094272085	0.062385938	0.058226876	0.091499376	0.062385938	0.044363334	0.045749688	0.002772708	0.006931771	0.008318125	0	0.006931771	0.015249896	0.02634073	0.121999169	0.321634172	0.04297698	0.044363334	0.020795313	0.030499792	0.069317709	0.134476356	0.013863542	0.001386354	0.002772708	0.024954375	0.033272501	0.055454168	0.083181251	0.018022604	0.024954375	0.020795313	0.011090834	0.060999584	0.020795313	0.005545417	0.002772708	0	0.015249896	0.069317709	0.012477188	0.015249896	0.008318125	0.013863542	0.018022604	0.091499376	0.13586271	0.116453752	0.133090002	0.065158647	0.036045209	0.054067813	0.052681459
CoA(2:0-COOH)_and_CoA(4:0-OH)	0.120612814	0.060999584	0.20518042	0.159430732	0.169135211	0.092885731	0.098431147	0.103976564	0.127544585	0.015249896	0.008318125	0.008318125	0.012477188	0.019408959	0.009704479	0.008318125	0	0.030499792	0.023568021	0.063772293	0.029113438	0.013863542	0.083181251	0.015249896	0.009704479	0.004159063	0.004159063	0.066545001	0.112294689	0.072090418	0.2481574	0.166362503	0.103976564	0.069317709	0.077635835	0.115067398	0.027727084	0.008318125	0.004159063	0.006931771	0.011090834	0.008318125	0.005545417	0.008318125	0.015249896	0.01663625	0.008318125	0.018022604	0.011090834	0.018022604	0.020795313	0.012477188	0.002772708	0.008318125	0.002772708
CoA(6:1)	0.058635452	0.033315598	0.079957435	0.06796382	0.069296444	0.083955307	0.041311341	0.050639709	0.086620554	0.002665248	0	0.002665248	0	0.005330496	0.005330496	0.003997872	0	0.00666312	0.002665248	0.03065035	0.009328367	0.005330496	0.021321983	0.002665248	0.001332624	0	0	0.015991487	0.021321983	0.014658863	0.093283674	0.041311341	0.033315598	0.022654607	0.035980846	0.046641837	0	0.003997872	0.005330496	0	0	0.001332624	0.005330496	0	0	0.00666312	0.003997872	0.005330496	0.010660991	0.010660991	0.009328367	0.014658863	0.013326239	0.013326239	0.003997872
CoA(6:0)	0.475746738	0.40511767	0.806237469	0.543710557	0.834222571	0.546375805	0.389126183	0.222548194	0.417111285	0.010660991	0.007995743	0	0.003997872	0.013326239	0.019989359	0.03065035	0.086620554	0.290512014	0.065298572	0.294509885	0.119936152	0.090618426	0.395789303	0.1226014	0.007995743	0.014658863	0.013326239	0.361141081	0.299840381	0.521055951	0.780917614	0.290512014	0.455757379	0.443763764	0.323827611	0.882197032	0.254531168	0.014658863	0.005330496	0.009328367	0.025319854	0.095948922	0.013326239	0.003997872	0.017324111	0.010660991	0.011993615	0.058635452	0.055970204	0.054637581	0.058635452	0.097281546	0.094616298	0.082622683	0.082622683
CoA(3:0-COOH)	0.085287931	0.03731347	0.106609913	0.058635452	0.070629068	0.0613007	0.055970204	0.02398723	0.049307085	0.007995743	0.007995743	0.019989359	0.014658863	0	0	0.017324111	0.013326239	0.058635452	0.029317726	0.033315598	0.013326239	0.019989359	0.045309213	0	0.013326239	0.029317726	0.00666312	0.041311341	0.039978717	0.039978717	0.110607785	0.06796382	0.071961691	0.035980846	0.062633324	0.070629068	0.033315598	0.034648222	0.033315598	0.027985102	0.021321983	0.022654607	0.002665248	0	0.005330496	0.02398723	0.015991487	0.073294315	0.085287931	0.077292187	0.078624811	0.131929768	0.145256007	0.149253879	0.145256007
CoA(4:1-COOH)	0.006332935	0.005066348	0.01646563	0.001266587	0.012665869	0.018998804	0.011399282	0.006332935	0.002533174	0.003799761	0.001266587	0	0	0.003799761	0	0.002533174	0	0.001266587	0.005066348	0.002533174	0.001266587	0.005066348	0.001266587	0.005066348	0.002533174	0	0.001266587	0.001266587	0.007599522	0.013932456	0.006332935	0.002533174	0.006332935	0.002533174	0.002533174	0.007599522	0.003799761	0	0	0.003799761	0.001266587	0.006332935	0.002533174	0.005066348	0.007599522	0.002533174	0.002533174	0.005066348	0.007599522	0	0.003799761	0.003799761	0	0.007599522	0.007599522
CoA(4:0-COOH)	0.044330542	0.06586252	0.105126714	0.096260606	0.08612791	0.225452471	0.197587559	0.182388516	0.222919298	0.002533174	0.002533174	0.003799761	0.003799761	0.006332935	0.001266587	0.005066348	0.001266587	0.003799761	0.012665869	0.04939689	0.039264194	0.025331738	0.055729824	0.003799761	0.003799761	0	0	0.059529585	0.056996411	0.08612791	0.262183492	0.111459649	0.089927671	0.056996411	0.113992823	0.116525996	0.035464434	0.003799761	0	0.001266587	0	0	0.001266587	0	0	0	0.001266587	0.005066348	0.005066348	0.012665869	0.008866108	0.003799761	0.003799761	0.010132695	0.010132695
CoA(8:1)	0.040532752	0.029132916	0.077265559	0.039266104	0.048132643	0.029132916	0.032932861	0.016466431	0.043066049	0.002533297	0	0.003799946	0.002533297	0.001266649	0.003799946	0	0	0.002533297	0.010133188	0.020266376	0.012666485	0.010133188	0.013933134	0.002533297	0.003799946	0.002533297	0.002533297	0.013933134	0.012666485	0.024066322	0.062065777	0.026599619	0.037999455	0.021533025	0.027866267	0.053199237	0.00886654	0.007599891	0.003799946	0.002533297	0.010133188	0.001266649	0.003799946	0.003799946	0	0.006333243	0.001266649	0.005066594	0.002533297	0.002533297	0.00886654	0.015199782	0.024066322	0.027866267	0.017733079
CoA(8:0)	0.328862484	0.216974355	0.451542458	0.290956761	0.529697203	0.372772121	0.280025584	0.167245735	0.381874257	0.015012318	0.002533297	0.021251829	0.00487913	0.018905996	0.025051774	0.015199782	0.098798583	0.274675261	0.042316193	0.185964266	0.132060773	0.071449109	0.30169794	0.134077277	0.011118641	0.006145779	0.017545615	0.256098594	0.219459519	0.347814078	0.510933072	0.172829121	0.374649294	0.388534294	0.237334463	0.427990395	0.167808127	0.009570796	0.004785398	0.003612482	0.016983223	0.107571391	0.011118641	0.011118641	0.013933134	0.010931177	0.013839402	0.033824582	0.041611937	0.0302121	0.047476519	0.102740393	0.074218002	0.101803073	0.070886717
CoA(9:1)	0.006543403	0.005234723	0.002617361	0.005234723	0.009160765	0.01963021	0.014395488	0.01832153	0.001308681	0	0.003926042	0.002617361	0.001308681	0.009160765	0.002617361	0.003926042	0.001308681	0	0	0.001308681	0.001308681	0.002617361	0.001308681	0.006543403	0.002617361	0.01963021	0.003926042	0	0.006543403	0.001308681	0.002617361	0.003926042	0.01963021	0.001308681	0	0.005234723	0.007852084	0.011778126	0.009160765	0.010469446	0.006543403	0.011778126	0.007852084	0	0	0.006543403	0.002617361	0.006543403	0.002617361	0.001308681	0.002617361	0.015704168	0.002617361	0.005234723	0.015704168
CoA(9:0)	0.050495444	0.040134619	0.092699088	0.058456149	0.071217094	0.078200215	0.044608999	0.044283137	0.07710354	0.031408337	0	0.036425818	0.005126102	0.013635144	0	0.007526223	0.007743464	0.007852084	0.013086807	0.020830271	0.011669506	0.018104289	0.026064993	0.00469162	0.016795608	0	0.027156433	0.023556252	0.040025999	0.049621246	0.0783036	0.04024324	0.037631113	0.040460481	0.044495143	0.093790528	0.018978487	0.004257138	0.004474379	0.003057078	0.000765578	0.0068745	0.015052445	0.017012849	0.006543403	0.00469162	0.025956373	0.012543704	0.010252205	0.014286867	0.024647692	0.039265655	0.023339011	0.020504409	0
CoA(10:3)	0	0.001353598	0	0.006767991	0	0.005414393	0.006767991	0.009475187	0	0	0.001353598	0	0.001353598	0.006767991	0	0.006767991	0.002707196	0	0.004060795	0.010828786	0.004060795	0.005414393	0.002707196	0.012182384	0	0	0	0.006767991	0	0	0.005414393	0	0	0	0	0	0.004060795	0	0	0.004060795	0	0.002707196	0	0	0.001353598	0.004060795	0.001353598	0	0.002707196	0	0	0	0.01488958	0	0.004060795
CoA(10:2)	0.004060795	0.001229067	0.002707196	0.000730943	0	0.000855474	0.002084541	0.000481881	0.001353598	0	0	0.001353598	0	0.000730943	0	0	0	0.001353598	0.000980005	0.00035735	0.0050408	0.002209072	0	0	0.001353598	0.001353598	0.001353598	0	0.001353598	0	0.00356267	0.001353598	0.001353598	0.001353598	0.001353598	0.001353598	0.000980005	0.001353598	0.002707196	0.000980005	0	0.002458134	0.002707196	0	0	0.0050408	0.005289862	0	0.003811733	0.001353598	0.004060795	0.006767991	0	0.006767991	0.000980005
CoA(10:1)	0.015869585	0.016130104	0.04306608	0.028358315	0.036547151	0.032407653	0.020112195	0.016198845	0.024240237	0.001353598	0.00542585	0.001229067	0.002718653	0.00263995	0.008121589	0.002764481	0.00273011	0.003936264	0.003970634	0.014856704	0.006304237	0.010625551	0.014912494	0.00145671	0.010704255	0.003936264	0.001229067	0.012239668	0.010704255	0.012182384	0.04840177	0.03642262	0.028301031	0.014765049	0.014765049	0.028301031	0.008031429	0.001229067	0.001104536	0.002617036	0.001353598	0	0.005165331	0.005414393	1.15e-05	0.006304237	0.011695717	0.004060795	0.00777091	0.003936264	0.002333603	0.004791738	0.002833222	0.011559729	0.010738625
CoA(10:0)	0.090584676	0.072963931	0.134104937	0.127336462	0.172605428	0.145914298	0.086133561	0.086493589	0.194041637	0	0.060412741	0.090578005	0.022761053	0.067437035	0.077761509	0.074193569	0.108036686	0.259528718	0.036181853	0.062252299	0.046795947	0.045044788	0.097440719	0.132518606	0	0.014527444	0.104113987	0.108515405	0.11813185	0.176200585	0.214829946	0.095461788	0.159828089	0.124526248	0.106929471	0.173364071	0.054758635	0.02695889	0	0.007880822	0.031008228	0.113723054	0.033364745	0.025220242	0.020302919	0.026491974	0.090968672	0.021283978	0.020942647	0.030770622	0.032271665	0.044227901	0.04034729	0.06255562	0.039619992
CoA(11:2)	0.023971403	0.021151238	0.019741155	0.019741155	0.019741155	0.002820165	0.023971403	0.009870578	0.021151238	0.01692099	0.012690743	0.00564033	0.015510908	0	0.008460495	0.00564033	0.019741155	0.002820165	0.004230248	0.02256132	0.018331073	0.021151238	0.007050413	0.014100825	0.009870578	0.008460495	0.002820165	0.012690743	0.008460495	0.01128066	0.007050413	0.008460495	0.004230248	0.00564033	0.002820165	0.01128066	0.015510908	0.007050413	0.009870578	0.021151238	0.02820165	0.009870578	0.019741155	0.008460495	0.031021815	0.00564033	0.009870578	0.01692099	0.026791568	0.02820165	0.032431898	0.008460495	0.00564033	0.00564033	0.01692099
CoA(11:1)	0.002000907	0.005083347	0.003804403	0	0.00803465	0.006788137	0.00341099	0.011772779	0.003673265	0	0.001639926	0.002295614	0.002787733	0	0.007673669	0.003705697	0.00239432	0.011018385	0.002426752	0.002132045	0	0	0	0.001508788	0.004722366	0.006263586	0.001147807	0.003050008	0.013313999	0.003181146	0.010624972	0	0.006657	0.002295614	0.00255789	0.010231559	0.002787733	0.016265302	0.004722366	0.00649343	0.001607494	0.003312284	0.000984238	0.010493834	0	0	0.001902201	0.004066678	0.003148714	0.001607494	0.002624164	0.004853504	0.005115779	0.006525862	0.002656595
CoA(11:0)	0.006864328	0.005167579	0.008106686	0.002990906	0.009123355	0.006419116	0.002502943	0.001725297	0.006708799	0.001425294	0	0	0.005381071	0.00564033	0.004926679	0.0052957	0.004007576	0.003205538	0	0.002621885	0.000158545	0.002871964	0.004291227	0.008320178	0	0.002237651	0.002713419	0.006766762	0.002992046	0.008164648	0.007472373	0.00289334	0.002201064	0.002606673	0.002582281	0	0.002560906	0	0.002380985	0.000806194	0.001260586	0	0.002728631	0.001844238	0.000268308	0.004279031	0	0.003852046	0.003937417	0.001260586	0.005396283	0	0	0.005033425	0.001163019
CoA(12:3)	0	0.002942972	0.004414458	0.008828917	0	0.033844182	0	0.020600806	0.005885945	0	0.002942972	0.001471486	0.01912932	0.027958237	0.023543779	0.039730126	0.005885945	0	0	0	0.008828917	0	0.005885945	0	0	0	0	0	0.008828917	0	0.002942972	0	0.002942972	0	0.004414458	0	0.010300403	0.023543779	0.020600806	0.016186348	0.014714862	0.016186348	0.023543779	0.016186348	0.002942972	0.023543779	0.004414458	0	0.017657834	0.020600806	0.014714862	0.029429723	0.039730126	0	0
CoA(12:2)	0	0.018855624	0.054034443	0	0.050030529	0.063069368	0	0	0.04065422	0	0	0.058722598	0.055608933	0	0.103757432	0	0.043597192	0.086817683	0.100061059	0	0.040380523	0	0.04065422	0.085346197	0.067688363	0	0.07651728	0.085346197	0.077167677	0.072102822	0	0.044144585	0.067414667	0	0	0.047087557	0.032886244	0	0	0.042639254	0.031004213	0.03675331	0.027240152	0.032338851	0.018855624	0.046369472	0.079049708	0.080931739	0	0.064301002	0	0.063479913	0.089008726	0	0
CoA(12:1)	0.010300403	0.029147636	0.025876006	0.030977571	0.017419453	0.007377924	0.013243375	0.006064121	0.009462533	0.005885945	2.55e-05	0.004839201	0.000714314	0.025257075	0	0.007701057	0.00035992	0	0	0.010300403	0.005073528	0.004414458	0.003576588	0	0	0.005885945	0	0.000891721	0.003123809	0.005066327	0.017683288	0.010609415	0.008445298	0.007357431	0.022110473	0.013278691	0.00429901	0.004618089	0.010478579	0	0.010359984	0	0	0	0.004132372	0.00304507	0.00294878	0	0.007510153	0	0.006013213	0.002925285	0	0.002942972	0.013243375
CoA(12:0)	0.03435773	0.051734258	0.054981492	0.067750422	0.080783216	0.069945189	0.025255117	0.039166163	0.084466182	0.006810038	0.005883577	0.014264816	0.002876541	0.024137843	0.011985046	0.013998663	0.085312725	0.310687073	0.0092838	0.0270003	0.018657482	0.027547692	0.057055337	0.116985566	0.010475295	0.006810038	0.006274046	0.03817571	0.027667723	0.028958555	0.082230165	0.038743451	0.037473227	0.030216968	0.045031283	0.0605675	0.033444374	0.009870921	0.000496978	0.013475314	0.018165842	0.105991186	0.016421948	0.013523074	0.008444606	0	0.024741028	0.014730599	0.011073445	0.007639874	0.005326716	0.011499838	0.007579874	0.010026707	0.001711338
CoA(13:0)	0.004933838	0.003289225	0.014801514	0.011512289	0.009867676	0.006578451	0.004933838	0.003289225	0.006578451	0	0.004933838	0.006578451	0	0.003289225	0	0	0.009867676	0	0.001644613	0.003289225	0.003289225	0.003289225	0.006578451	0	0.001644613	0.004933838	0.001644613	0.003289225	0	0.011512289	0.003289225	0.008223063	0.02466919	0.006578451	0.003289225	0.001644613	0	0.003289225	0.001644613	0.003289225	0	0.009867676	0.004933838	0.001644613	0.001644613	0.008223063	0.004933838	0.003289225	0.003289225	0	0	0.001644613	0.001644613	0.003289225	0
CoA(12:0-OH)	0.001052113	0.001191904	0.003156338	0.004907406	0.002104225	0.002383808	0.00988103	0.008549335	0.00532678	0.004414458	0.001052113	0.002383808	0.005885945	0.00266339	0.004414458	0.004414458	0.000632739	0.017657834	0	0.005606362	0.00266339	0	0.003855294	0.005885945	0.001331695	0.006938057	0.002803181	0	0.004414458	0.001964434	0.001191904	0	0	0.011212725	0	0.005746153	0.001471486	0.004134876	0	0	0.016186348	0	0.006938057	0.013103584	0	0	0.001052113	0.007077848	0.005606362	0.002942972	0.007357431	0.010160612	0.013103584	0	0.004414458
CoA(14:2)	0.018639094	0.027958642	0.037278189	0.059645102	0.035414279	0	0	0.026094732	0.03355037	0.013047366	0.016775185	0.031686461	0.024230823	0.011183457	0.016775185	0.014911276	0.022366913	0.009319547	0.007455638	0.029822551	0.014911276	0.026094732	0.03355037	0.024230823	0.024230823	0.024230823	0.003727819	0.020503004	0.020503004	0.016775185	0.042869917	0.018639094	0	0.014911276	0.011183457	0.027958642	0.014911276	0.022366913	0.013047366	0.013047366	0.016775185	0	0.016775185	0.007455638	0.031686461	0.027958642	0.026094732	0.037278189	0.027958642	0.044733827	0.041006008	0.026094732	0.011183457	0	0.014911276
CoA(14:1)	0.02057756	0.027138522	0.041155121	0.053919172	0.045061875	0.042869917	0.020503004	0.01799791	0.052696448	0.008067	0.00584522	0.008141556	0	0.015701573	0.011436948	0.011615884	0	0.01028878	0.006739897	0.010184401	0.007888065	0.003086634	0.034057353	0.005129479	0.006993388	0.005129479	0.008961677	0.012942987	0.022262534	0.009573039	0.05552959	0.031761017	0.042869917	0.015343703	0.023157211	0.045777616	0.028391069	0.014627961	0.004339181	0.015522638	0.017028677	0	0.013300858	0.021651172	0.011869375	0.010363337	0.008678362	0.005740841	0.004771608	0	0	0	0.006382026	0.005591728	0.004160246
CoA(14:0)	0.072162678	0.075417615	0.131194819	0.119546007	0.119611414	0.118005984	0.067909576	0.070861533	0.120390608	0.078766278	0.0458375	0.08540981	0.045177745	0.052210873	0.052795269	0.063920827	0.125889165	0.372912466	0.044003147	0.054021054	0.050663741	0.036487999	0.082348368	0.16674686	0.059616537	0.060488154	0.036419748	0.061112481	0.073522121	0.059650662	0.105595041	0.089186698	0.078440784	0.069354332	0.069870477	0.097961757	0.065027173	0.062464814	0.034373534	0.045584404	0.057782183	0.149017703	0.065485021	0.08581647	0.059482879	0.063582417	0.089485176	0.023705824	0.022049207	0.022049207	0.02555013	0.023859388	0.014981953	0.01823689	0.016300161
CoA(15:2)	0.002160216	0.002160216	0.002160216	0	0.002160216	0.008640862	0.006480647	0.002160216	0	0.002160216	0	0.004320431	0.008640862	0.017281724	0.002160216	0.004320431	0.002160216	0.008640862	0.002160216	0.002160216	0	0.006480647	0.006480647	0	0	0	0	0.002160216	0	0	0	0.008640862	0	0	0.002160216	0.004320431	0.006480647	0.006480647	0.002160216	0	0.002160216	0.002160216	0	0	0.002160216	0.008640862	0	0.004320431	0.006480647	0.002160216	0.010801078	0.008640862	0	0.002160216	0.017281724
CoA(15:1)	0	0.00410441	0.00410441	0.006480647	0	0.016417638	0.012313229	0.012745272	0.004320431	0.006264625	0.006480647	0.010369035	0	0.004752474	0.00410441	0.006048603	0.006264625	0.007776776	0	0.001944194	0	0	0.005832582	0.006480647	0	0.008640862	0.004320431	0.00410441	0.004320431	0	0.004320431	0.007776776	0.002160216	0	0.006264625	0.010369035	0.001512151	0.012313229	0.012745272	0.004320431	0	0	0	0	0.008424841	0.003456345	0.004320431	0.010369035	0.003672366	0.001944194	0	0.001296129	0.006480647	0	0.011233121
CoA(15:0)_and_CoA(C14:1-OH)	0.004342033	0.010390637	0.016871283	0.012313229	0.012982895	0.006999098	0.007409539	0.00952655	0.010369035	0.010174615	0.007992797	0.016244821	0.015207917	0.008165615	0.008230421	0.014516648	0.0080144	0.0100234	0.006502249	0.01924752	0.008640862	0.006545453	0.01453825	0.010153013	0	0.009936991	0.006048603	0.008230421	0.008208819	0.015121509	0.01252925	0.012183616	0.008424841	0.012961293	0.016655262	0.009764174	0.010649863	0	0.005206119	0.014689466	0.015143111	0.012982895	0.015121509	0.017281724	0.018599456	0.012615659	0.008208819	0.001123312	0.001792979	0.004126012	0.000108011	0.004190818	0	0.006502249	0.005357335
CoA(14:0-OH)	0.005182113	0.002812301	0.005959707	0.00449894	0.004441546	0	0.00121638	0.008440605	0.002814152	0	0.001166392	0.006013399	0.000548019	0.003002996	0.001146026	0.00245868	0.001164541	0	0	0.000201804	0.002962265	0.001290437	0.004308245	0.00098125	0	0.004702596	0.003184435	0.004848858	0.004850709	0.000555425	0.00262901	0	0.001129364	0.002591982	0	0.004717407	0	0.001956946	0.001405225	0.000592453	0.002404989	0.004441546	0.000555425	0.004073115	0.000257347	0	0	0	0.001697748	0.001497795	0.001842159	0.001492241	0.001906958	0.003145555	0.001392265
CoA(16:3)	0.018148521	0.007777938	0.007777938	0.012963229	0.005185292	0.007777938	0	0.005185292	0.010370583	0.002592646	0.018148521	0.010370583	0.002592646	0.005185292	0.007777938	0.005185292	0.005185292	0	0.002592646	0.012963229	0.005185292	0.007777938	0.005185292	0.010370583	0.005185292	0.005185292	0.010370583	0.005185292	0.007777938	0.012963229	0.007777938	0.007777938	0.010370583	0.007777938	0.007777938	0.007777938	0.002592646	0	0.002592646	0.007777938	0.007777938	0.012963229	0.005185292	0.018148521	0.007777938	0.007777938	0.012963229	0	0.007777938	0.007777938	0.005185292	0.002592646	0	0.010370583	0.005185292
CoA(16:2)	0.021464515	0.017347393	0.030310623	0.024591246	0.033170311	0.027717977	0.012963229	0	0.019672997	0.007510895	0.003315994	0.009302413	0.002325603	0.009836498	0.017347393	0.004651207	0.012429144	0.012963229	0.010103541	0.014220663	0.012429144	0.00697681	0.009836498	0.006709767	0.009836498	0.007243853	0.004117122	0.012429144	0.00697681	0.016813308	0.030310623	0.025125331	0.017080351	0	0.017347393	0.019940039	0.007510895	0.010370583	0.004918249	0.00697681	0.00697681	0.009035371	0.007243853	0.008501286	0.012162102	0.012162102	0.009035371	0.005185292	0.00697681	0.004384164	0.002058561	0.002325603	0.007777938	0.004117122	0.007243853
CoA(16:1)	0.080753822	0.099326407	0.110954424	0.134877332	0.17029073	0.134555279	0.09718533	0.095982907	0.158717724	0.152192483	0.116327516	0.222009395	0.199394194	0.123433842	0.081177886	0.17841349	0.136130028	0.084222101	0.063775482	0.084092585	0.063535945	0.051134306	0.102692675	0.128941187	0.115655904	0.185924385	0.082540604	0.086869757	0.095209285	0.127900522	0.123917653	0.127044384	0.133058308	0.134900101	0.179698428	0.109429948	0.100339566	0.177824394	0.098013963	0.167803369	0.126321035	0.146850171	0.139256759	0.170238994	0.154306055	0.16986193	0.120923712	0.009836498	0.020022555	0.017696952	0.015343843	0.010131046	0.014754748	0.00994652	0.009624467
CoA(16:0)	0.370208651	0.689783761	0.714512534	0.670566141	0.791365562	0.714674292	0.50333379	0.89753981	1.044044229	0.941010495	0.690625293	1.154194251	0.889481093	0.845452092	0.707208934	0.930531794	1.095631033	1.036161403	0.610480839	0.748391054	0.60532022	0.464002066	0.927960454	0.91747892	0.809956178	1.209763924	0.587806865	0.859588777	0.757616617	0.946105213	0.80132728	0.692114101	0.836682835	0.885753401	1.088550842	0.820968035	0.764866135	0.998001263	0.687326297	0.900512886	0.876266462	0.876744607	1.077160459	1.271010374	0.925236922	1.042896376	0.959787053	0	0.067939115	0.070771298	0.055457793	0.079328524	0.065889053	0.076754884	0.076788056
CoA(17:1)	0.054445563	0.041482334	0.038889688	0.041482334	0.046667625	0	0.036297042	0.049260271	0.049260271	0.054445563	0.057038209	0.062223501	0.046667625	0.051852917	0.04407498	0.04407498	0.051852917	0.04407498	0.041482334	0.041482334	0.041482334	0.049260271	0.041482334	0.041482334	0.038889688	0.049260271	0.049260271	0.04407498	0.041482334	0.038889688	0.049260271	0.046667625	0.036297042	0.064816146	0.051852917	0.038889688	0.046667625	0.051852917	0.036297042	0.046667625	0.046667625	0.054445563	0.04407498	0.051852917	0.041482334	0.046667625	0.046667625	0.033704396	0.041482334	0.054445563	0.046667625	0.041482334	0.062223501	0.033704396	0.038889688
CoA(18:3)	0.018349847	0.022937309	0.02752477	0.029818501	0.029818501	0.038993424	0.02752477	0.025231039	0.032112232	0.013762385	0.018349847	0.032112232	0.025231039	0.029818501	0.020643578	0.02752477	0.022937309	0.02752477	0.009174923	0.022937309	0.013762385	0.013762385	0.025231039	0.018349847	0.016056116	0.043580886	0.025231039	0.025231039	0.016056116	0.038993424	0.048168348	0.043580886	0.036699694	0.020643578	0.036699694	0.022937309	0.025231039	0.041287155	0.020643578	0.025231039	0.02752477	0.022937309	0.02752477	0.02752477	0.02752477	0.032112232	0.020643578	0.009174923	0.009174923	0.011468654	0.006881193	0	0.004587462	0.009174923	0.002293731
CoA(18:2)	0.174617142	0.309447229	0.506208049	0.340809411	0.395858952	0.303109651	0.244722732	0.270203788	0.388727743	0.24163537	0.183792066	0.32909074	0.24726648	0.265116293	0.247766513	0.242429001	0.236047842	0.189673192	0.15038617	0.288803652	0.209523138	0.126948828	0.309197213	0.225079221	0.227622969	0.348484235	0.162398438	0.261028865	0.291847433	0.32834069	0.361746587	0.259028731	0.3354719	0.344103209	0.314828322	0.332384538	0.228916633	0.284509788	0.15831101	0.270203788	0.203435577	0.224579188	0.233254078	0.23784154	0.228666616	0.280922392	0.169779664	0.031112165	0.040287089	0.044624534	0.038243375	0.032112232	0.022437275	0.028818434	0.034155946
CoA(18:1)	0.554399445	1.087904639	1.346292874	1.231284936	1.145003956	0.944090391	0.6408009	0.832990588	1.122843949	0.925560048	0.516699684	0.938964722	0.686398249	0.941350475	0.706987323	0.670869418	0.680739888	0.67203234	0.451529001	0.720864122	0.552888422	0.364628168	0.826446574	0.626885927	0.704595508	0.98731291	0.473156973	0.751416344	0.826043969	0.902346783	0.94916762	0.873202093	0.972675138	0.944209555	0.887763516	0.844562733	0.725098076	0.868130927	0.519477119	0.844459242	0.730169242	0.670521317	0.857661684	0.942029692	0.965967067	0.889165531	0.763656237	0.072301892	0.071301825	0.063947851	0.078405783	0.069899154	0.077834917	0.072551909	0.062795197
CoA(18:0)	0.253811587	0.436501261	0.4794426	0.45298504	0.398165203	0.346665394	0.308618293	0.289963347	0.331768718	0.300516854	0.115709548	0.200425318	0.154555676	0.22539631	0.202773546	0.156248319	0.217103171	0.481831341	0.16868777	0.256310515	0.182870632	0.168985037	0.260858144	0.2711416	0.200740523	0.169924326	0.168624052	0.225455553	0.256314566	0.181479365	0.286474974	0.180068674	0.24491923	0.211322285	0.178481479	0.295583176	0.196212012	0.196677547	0.156693963	0.164851798	0.179603139	0.321434883	0.195524964	0.23679093	0.259412795	0.215028353	0.29293333	0.08845579	0.074802412	0.087072649	0.078615542	0.097892611	0.110789998	0.081547345	0.084904558
CoA(19:3)	0.119274004	0.112392812	0.045874617	0.084868042	0.05504954	0.128448928	0.130742659	0.149092505	0.066518195	0.061930733	0.057343271	0.048168348	0.181204737	0.139917582	0.165148621	0.146798775	0.128448928	0.151386236	0.149092505	0.128448928	0.112392812	0.100924158	0.123861466	0.174323545	0.066518195	0.155973698	0.061930733	0.071105656	0.068811926	0.061930733	0.057343271	0.041287155	0.066518195	0.066518195	0.050462079	0.075693118	0.162854891	0.185792199	0.197260853	0.169736083	0.194967122	0.167442352	0.162854891	0.16056116	0.130742659	0.181204737	0.064224464	0.158267429	0.155973698	0.18808593	0.149092505	0.169736083	0.197260853	0.194967122	0.194967122
CoA(19:2)	0.006092149	0	0	0	0.00475261	0	0.027630282	0	0	0	0	0.005592116	0	0.003573633	0	0	0	0	0	0	5.05e-05	0.003743369	0	0.001669836	0	0	0	0	0	0.001619374	0.013647699	0.008725352	0.01711582	0.005647165	0	0.009115286	0	0.009445584	0.005752677	0.01140443	0	0	0.000775281	0	0	0.007711523	0	0	0	0	0	0	0.010340139	0	0
CoA(19:1)	0.010725412	0.008554047	0.00756399	0.008144368	0.006301374	0.004205565	0.00809776	0.002553978	0.000990057	0.004949568	0.005440959	0.015373878	0.007059727	0.004151479	0.009339265	0.006772415	0.001911834	0.006840694	0.006806555	0.009967417	0.002287574	0.00183704	0.006431016	0.002090011	0.004738013	0.007243859	0.003215508	0.003352067	0.004772153	0.004389898	0.005216173	0.003522969	0.007086793	0.001604777	0.012219732	0.003475397	0.002758817	0.0034351	0.006179366	0.005489852	0.005195622	0.011667135	0.002199147	0.009326034	0.011120897	0.005940387	0.007837109	0.006943114	0.006908974	0.005093202	0.000540082	0.002526352	0.001032234	0.002901891	0.016159655
CoA(19:0)	0.042272386	0.047124754	0.040364349	0.058643389	0.063455696	0.045361538	0.040299229	0.031800647	0.029697714	0.036095846	0.038329628	0.039411542	0.028957214	0.040780675	0.033266573	0.028992266	0.034172719	0.026690206	0.033575563	0.0377774	0.043301802	0.038769306	0.049677495	0.036444712	0.029240463	0.051872059	0.03171994	0.040878203	0.045292414	0.033870395	0.038357051	0.038563622	0.045010028	0.038797642	0.037502617	0.045450619	0.045538041	0.043161804	0.026770888	0.045204855	0.049828213	0.037570034	0.038725129	0.056205495	0.042224137	0.031387505	0.042624759	0.02667771	0.035856799	0.038372054	0.032046342	0.020335363	0.018223914	0.02946447	0.025553292
CoA(20:5)	0.013762385	0.002293731	0.006881193	0.016056116	0.011468654	0.011468654	0.002293731	0.009174923	0.006881193	0.006881193	0.004587462	0.011468654	0.009174923	0.006881193	0.004587462	0.006881193	0.002293731	0.004587462	0.004587462	0.006881193	0.004587462	0.011468654	0.009174923	0.004587462	0.006881193	0.013762385	0.006881193	0.002293731	0.002293731	0.004587462	0.006881193	0.009174923	0.011468654	0.006881193	0.004587462	0.006881193	0.009174923	0.006881193	0.002293731	0.011468654	0.002293731	0.011468654	0.011468654	0.004587462	0.004587462	0.009174923	0.004587462	0.013762385	0.004587462	0.002293731	0.006881193	0.009174923	0	0.006881193	0.002293731
CoA(20:4)	0.222927702	0.169426429	0.281199934	0.273080127	0.296636743	0.179656469	0.183188815	0.11803539	0.173394584	0.088526542	0.042961579	0.07414485	0.056104657	0.093114004	0.063605157	0.061001772	0.043271233	0.056723964	0.036080386	0.097701466	0.061311426	0.04662008	0.104273005	0.033786655	0.086232811	0.060072811	0.035770733	0.102908235	0.121258082	0.123242159	0.221562932	0.140972698	0.138369314	0.127519967	0.098011119	0.175688315	0.076748234	0.058708041	0.043271233	0.058088734	0.08914585	0.062676196	0.090200966	0.102598581	0.098011119	0.097391812	0.091129927	0.073835196	0.077367542	0.077677195	0.065589234	0.072160773	0.071105656	0.079351619	0.084558388
CoA(20:3)	0.015779377	0.039058165	0.023968742	0.050295955	0.017297311	0.017033532	0.018850396	0.027646109	0.033935003	0.02245488	0.012550034	0.019808946	0.010775718	0.024129303	0.023525536	0.012408338	0.007920769	0.00610465	0.013478995	0.021216265	0.005485343	0.014349867	0.013447915	0.016082379	0.006708417	0.012533748	0.011227067	0.01821962	0.008861198	0.010887079	0.029726006	0.033724495	0.018019836	0.012603306	0.030349385	0.008394309	0.028632413	0.021892916	0	0.031151445	0.01319635	0.025944676	0.010760178	0.015967693	0.018880731	0.016670606	0.012928499	0.008382095	0.03772373	0.003275964	0.007201569	0.010901873	0.006456852	0.003049917	0.013815657
CoA(20:2)	0.050625594	0.040601765	0.072457338	0.066609433	0.041245749	0.064218668	0.054798468	0.046729854	0.032118468	0.033668285	0.018949323	0.022556832	0.021482587	0.033442238	0.038111208	0.025849645	0.024161736	0.038169297	0.025705106	0.024660574	0.019903056	0.021000076	0.039471687	0.02764738	0.026619134	0.051063754	0.023715385	0.029652583	0.024034778	0.030642476	0.039567875	0.036734348	0.034267016	0.028117055	0.018840142	0.028685269	0.028246856	0.045212804	0.044369504	0.048550364	0.037211917	0.049253278	0.046715724	0.046012709	0.054794373	0.050505278	0.030366885	0.026393187	0.017844605	0.022495053	0.03114002	0.023759286	0.031240557	0.047756609	0.023365926
CoA(20:1)	0.048215085	0.083974265	0.102611071	0.089638153	0.054068826	0.050967482	0.02700817	0.039566087	0.064475932	0.068854169	0.022672881	0.040535714	0.036093275	0.066590954	0.047610797	0.026328799	0.028850398	0.049896685	0.040110697	0.051720363	0.047775166	0.036158414	0.038252208	0.035261028	0.046868496	0.048155934	0.033498117	0.048752711	0.03804246	0.039444152	0.054295339	0.050090403	0.04124857	0.058134931	0.04791866	0.051177029	0.03747383	0.035183427	0.030709811	0.04390778	0.040851008	0.046106617	0.051036649	0.058012748	0.068295878	0.036762674	0.085355974	0.001024381	0.006765902	0.010725553	0.007264752	0	0.016426102	0.00043405	0.006020523
CoA(20:0)	0.048540504	0.050594207	0.073309278	0.077354353	0.056925172	0.059637585	0.055990899	0.065764235	0.057813944	0.061810344	0.042813778	0.044989757	0.029533371	0.057528416	0.050915814	0.033145306	0.062623391	0.034551103	0.045047135	0.045773561	0.03942497	0.052461885	0.0430043	0.043408109	0.057897217	0.043961028	0.03905864	0.043880463	0.047620077	0.038255926	0.059188324	0.039112413	0.06783083	0.047201325	0.039405598	0.032084526	0.036228188	0.036537393	0.041728793	0.044534529	0.040359731	0.064881263	0.043572131	0.044924089	0.048123328	0.036324194	0.048113946	0.025092748	0.035786297	0.028370551	0.019662836	0.027957783	0.032188439	0.034347366	0.024418269
CoA(21:3)	0.002293731	0	0	0	0.004587462	0	0	0	0	0	0.002293731	0.002293731	0	0.002293731	0	0.004587462	0	0.004587462	0	0.002293731	0	0	0	0.004587462	0	0	0	0	0	0	0	0	0	0.002293731	0.002293731	0.009174923	0	0	0	0	0	0	0.004587462	0	0	0	0	0.002293731	0	0	0.004587462	0	0	0	0
CoA(21:2)	0.008835451	0	0.004587462	0	0	0.002293731	0	0.002293731	0	0	0.00424799	0	0	0	0.002293731	0	0	0	0.002293731	0	0.002293731	0	0.004587462	0.001614787	0	0.002293731	0.006881193	0	0	0.011468654	0	0.009174923	0	0	0	0	0	0.002293731	0.002293731	0.004587462	0.002293731	0.002293731	0	0	0	0	0.002293731	0.00424799	0	0	0.001614787	0	0	0	0
CoA(21:1)	0	0	0.006202248	0.004587462	0.004687945	0.001954259	0	0.001954259	0.004587462	0	0	0.011518896	0.004587462	0.006931434	0	0.000100484	0.002293731	0.006981676	0	5.02e-05	0.001954259	0.002293731	0.006202248	0	0.004587462	0.001954259	0.001275314	0	0.004587462	0.002890101	0	0	0	0.006931434	5.02e-05	0.002494698	0.006881193	0	0.008835451	0	0.00654172	0.00654172	0.000100484	0	0	0.006881193	0	0	0	0.002293731	0.002054742	0.004587462	0.002293731	0.004587462	0
CoA(21:0)	0.004780993	0.006881193	0.012844452	0.006202248	0.006187377	0.006591962	0.004587462	0.008885693	0.006202248	0	9.3e-05	0.002882665	0	0.003561609	0.006931434	0.002278859	0	0.001260443	0.002343973	0.006873757	0.006591962	0.001954259	0.00596326	0.002329101	0.001614787	0.002004501	0	0.002293731	0.01078971	0.004159727	0.004587462	0.00708216	0.002293731	0.003561609	0.006873757	0.006511977	0.003569045	0.002343973	0.005573546	0.000100484	0	0.005913018	0	0.006881193	0.009174923	0.005862776	5.02e-05	0.00468051	0.004587462	0	0	0.008495979	0	0.001614787	0.002293731
CoA(22:6)	0.003879875	0	0.007273944	0.003669529	0.00367173	0.012786775	0.008495979	0.007859841	0.003669529	0.002293731	0.00227996	0.004160827	0.004687945	0.001766613	0.00585534	0.00195646	0.002343973	0.004400916	0.001946823	0.003570146	0.00131812	0.002004501	0.003704899	0.011123947	0.006642204	0.001997065	0.006909127	0	0.009871777	0.003971822	0.003908517	0	0.008835451	0.001766613	0	0.003623689	0	0.004240554	0.001468846	0.00457259	0.00014329	0.006006066	0.004589663	0.003569045	0.005523304	0.006013502	0.006873757	0.001601015	0.001614787	0.006931434	0.002338738	0.005623788	0.002343973	0.004348473	0
CoA(22:5)	0.015481895	0.023088034	0.019567034	0.031569142	0.026981354	0.014163673	0.030854827	0.026361514	0.017806757	0.020304106	0.015718682	0.015440314	0.013068569	0.015794657	0.024364449	0.011179098	0.029471593	0.017698511	0.018061717	0.020115196	0.018154765	0.022640642	0.022388983	0.025878426	0.019660531	0.01346682	0.008152373	0.034456205	0.023770016	0.020055748	0.02694631	0.018504974	0.014748469	0.02267585	0.016206679	0.022401003	0.023015485	0.017722245	0.018132458	0.017673103	0.009153717	0.015167218	0.024551769	0.017821628	0.017532398	0.017459849	0.024213723	0.015819166	0.013523397	0.015030264	0.018003714	0.022104988	0.027177862	0.020000004	0.011518896
CoA(22:4)	0.027527181	0.024107741	0.029216311	0.071020885	0.030412722	0.027722277	0.039014372	0.025916997	0.02488937	0.029107224	0.002261097	0.01377095	0.007240775	0.013718507	0.012450178	0.009814148	0.007106858	0.001968082	0.011089251	0.015372798	0.01107548	0.01041157	0.019623739	0.000757455	0.013146357	0.011769296	0.005674641	0.015544059	0.017125615	0.010794134	0.028124178	0.022492303	0.023048266	0.019581283	0.02053872	0.026503153	0.010356093	0.008845762	0.004197589	0.008853035	0.012407635	0.006930175	0.014716185	0.013418515	0.018048783	0.011178328	0.021647408	0	0.00487973	0.004656714	0.006510374	0.003609654	0.009740062	0.006214923	0.009763858
CoA(22:3)	0.007394632	0.001019516	0.004850909	0.005545025	0.006967571	0.005072026	0.010281989	0.005339208	0.003197566	0.004867054	0	0.004843092	0.005809558	0	0	0.003134968	0.003535647	0.002002455	0.000652522	0	0.00065456	0.003046549	0	0	0.002641801	0.002845606	0	0.002286941	0	0.00298993	0	0.003552332	0.003470049	0.001689432	0.001547731	0.009839919	0.009935952	0.003278289	0.006259949	0.003277213	0.000457401	0.008149257	0.006996928	0.002601521	0.008797434	0.009814262	0.001383645	0.002300762	0.008452723	0.001604537	0.003623926	0.006346964	0.010027125	0.012842577	0.012317334
CoA(22:2)	0.004478021	0.002278642	0.006809399	0.01826778	0.006778073	0	0.00902275	0.009095903	0.009127599	0.009102891	0.002298684	0.004515784	0.009088942	3e-05	0.002321002	0.004541064	0.004535134	0.011439018	0.002284074	0.002327403	0.002284043	0.002248642	0.011477691	0.004589121	0.011429556	0.006839078	0.006893622	0	3.75e-05	0	0.009202579	0.01141608	0.006829836	0	0.004564555	0.004441831	0.00444041	0.002245212	0.006788545	0.004538959	0.002286961	0.004466853	0.009071369	0.009136421	0.00445726	0.00214848	0.009154445	0	0	0	0.002240097	0	0.009026522	0	0
CoA(22:1)	0.024714067	0.031795091	0.056431109	0.040986567	0.035833895	0.039104522	0.017217175	0.042339948	0.02394319	0.02856722	0.011121852	0.026951909	0.010238018	0.022892836	0.015676283	0.008564647	0.010867155	0.018990079	0.015730937	0.017960539	0.01114352	0.024958299	0.021226573	0.010787254	0.025885275	0.010512568	0.008138111	0.025281133	0.011413137	0.027590262	0.026125951	0	0.0219949	0.020680583	0.022292266	0.011005244	0.011007347	0.018082182	0.015174817	0.017742687	0.024901586	0.017849404	0.014851488	0.033105058	0.024744794	0.020519077	0.019315996	0.002344127	0.00477261	0.004622607	0.002033637	0.000139024	0	0.000281304	0.000269799
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