#METABOLOMICS WORKBENCH sdasari_20140930_9217761_mwtab.txt DATATRACK_ID:163 STUDY_ID:ST000115 ANALYSIS_ID:AN000196 PROJECT_ID:PR000104
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	Impact of insulin deprivation and treatment on sphingolipid distribution in
PR:PROJECT_TITLE                 	muscle subcellular compartments of streptozotocin-diabetic C57Bl/6 mice.
PR:PROJECT_TYPE                  	Targeted metabolomics
PR:PROJECT_SUMMARY               	Insulin deprivation in type 1 diabetes (T1D) individuals increases lipolysis
PR:PROJECT_SUMMARY               	plasma free fatty acids (FFA) concentration, which can stimulate synthesis of
PR:PROJECT_SUMMARY               	bioactive lipids such as ceramides (Cer) and long-chain fatty acid-CoAs
PR:PROJECT_SUMMARY               	Ceramide was shown to decrease muscle insulin sensitivity, and at mitochondrial
PR:PROJECT_SUMMARY               	it stimulates reactive oxygen species production. Here, we show that insulin
PR:PROJECT_SUMMARY               	in streptozotocin diabetic C57BL/6 mice increases quadriceps muscle Cer
PR:PROJECT_SUMMARY               	which was correlated with a concomitant decrease in the body fat and increased
PR:PROJECT_SUMMARY               	FFA, glycosylated hemoglobin level (%Hb A1c), and muscular LCFa-CoA content.
PR:PROJECT_SUMMARY               	alternations were accompanied by an increase in protein expression in LCFa-CoA
PR:PROJECT_SUMMARY               	Cer synthesis (FATP1/ACSVL5, CerS1, CerS5), a decrease in the expression of
PR:PROJECT_SUMMARY               	implicated in muscle insulin sensitivity (GLUT4, GYS1), and inhibition of
PR:PROJECT_SUMMARY               	signaling cascade by Akt? and GYS3? phosphorylation under acute insulin
PR:PROJECT_SUMMARY               	Both the content and composition of sarcoplasmic fraction sphingolipids were
PR:PROJECT_SUMMARY               	affected by insulin deprivation, whereas mitochondrial fraction sphingolipids
PR:PROJECT_SUMMARY               	stable. The observed effects of insulin deprivation were reversed, except for
PR:PROJECT_SUMMARY               	and composition of LCFa-CoA, CerS protein expression, GYS1 gene expression, and
PR:PROJECT_SUMMARY               	status of Akt and GYS3? when exogenous insulin was provided by subcutaneous
PR:PROJECT_SUMMARY               	implants. Principal component analysis and Pearson's correlation analysis
PR:PROJECT_SUMMARY               	close relationships between the features of the diabetic phenotype, the content
PR:PROJECT_SUMMARY               	LCFa-CoAs and Cers containing C18-fatty acids in sarcoplasm, but not in
PR:PROJECT_SUMMARY               	Insulin replacement did not completely rescue the phenotype, especially
PR:PROJECT_SUMMARY               	the content of LCFa-CoA, or proteins implicated in Cer synthesis and muscle
PR:PROJECT_SUMMARY               	sensitivity. These persistent changes might contribute to muscle insulin
PR:PROJECT_SUMMARY               	observed in T1D individuals.
PR:INSTITUTE                     	Mayo Clinic
PR:DEPARTMENT                    	Endocrinology
PR:LABORATORY                    	Dr. Sreekumaran Nair's lab
PR:LAST_NAME                     	Nair
PR:FIRST_NAME                    	Sreekumaran
PR:ADDRESS                       	-
PR:EMAIL                         	Dasari.Surendra@mayo.edu
PR:PHONE                         	-
PR:FUNDING_SOURCE                	R01-DK-41973, UL1 TR000135, the David Murdock Dole Professorship (K. S. Nair),
PR:FUNDING_SOURCE                	the Stephenson Fellowship (P. Zabielski).
PR:PROJECT_COMMENTS              	24368672
#STUDY
ST:STUDY_TITLE                   	Impact of insulin deprivation and treatment on sphingolipid distribution in
ST:STUDY_TITLE                   	muscle subcellular compartments of streptozotocin-diabetic C57Bl/6 mice
ST:STUDY_TYPE                    	Insulin depravation
ST:STUDY_SUMMARY                 	Experiments were conducted using 13-wk-old male C57BL/6J mice (Jackson
ST:STUDY_SUMMARY                 	Bar Harbor, ME). Mice were housed individually with free access to water and
ST:STUDY_SUMMARY                 	(TD.10112; Harlan Laboratories, Indianapolis, IN), with a 12:12-h light-dark
ST:STUDY_SUMMARY                 	and temperature and humidity control. Mice were acclimated for 1 wk prior to
ST:STUDY_SUMMARY                 	beginning of the experiment. The protocol was approved by the Mayo Clinic
ST:STUDY_SUMMARY                 	Animal Care and Use Committee. Following a 6-h fast, mice were given
ST:STUDY_SUMMARY                 	injections of STZ (125 mg/kg; in sodium acetate buffer, pH = 4.5) (67).
ST:STUDY_SUMMARY                 	were repeated on the following day. Control animals received intraperitoneal
ST:STUDY_SUMMARY                 	of vehicle. Only mice that displayed blood glucose ?300 mg/dl and an increase
ST:STUDY_SUMMARY                 	blood ketones (both values by Precision Xtra glucometer; Abbott Laboratories,
ST:STUDY_SUMMARY                 	Park, IL), hyperphagia, and polyuria and were positive for urine glucose
ST:STUDY_SUMMARY                 	via dipstick (Uristix, Bayer, Pittsburgh, PA) on day 7 after the first STZ dose
ST:STUDY_SUMMARY                 	included in the experiment. Animals that were positive for STZ diabetes
ST:STUDY_SUMMARY                 	LinBit subcutaneous insulin implant (LinShin Canada, Toronto, ON, Canada) (79)
ST:STUDY_SUMMARY                 	pentobarbital sodium anesthesia (Nebutal, 40 mg/kg of body wt) according to the
ST:STUDY_SUMMARY                 	protocol. Each animal received two subcutaneous implants (total dose: 0.2 U/24
ST:STUDY_SUMMARY                 	for >30 days, 10 U/kg for 20-g mice). Insulin treatment was continued for 3 wk.
ST:STUDY_SUMMARY                 	animals (C; n = 13) received blank implants. Diabetic control was confirmed by
ST:STUDY_SUMMARY                 	measurements of blood and urinary glucose. In some cases, when urine glucose
ST:STUDY_SUMMARY                 	present and blood glucose was >288 mg/dl, the animal received a third implant.
ST:STUDY_SUMMARY                 	insulin treatment was continued until initially lower plasma glucose content in
ST:STUDY_SUMMARY                 	animals reached control values. Three weeks following implantation, diabetic
ST:STUDY_SUMMARY                 	were divided randomly into diabetic-treated (D + I; n = 13) and
ST:STUDY_SUMMARY                 	(D ? I; n = 13) groups. Insulin implants were removed from the D ? I group
ST:STUDY_SUMMARY                 	pentobarbital anesthesia, which led to the return of the diabetic phenotype
ST:STUDY_SUMMARY                 	24 h. Animals from the D + I group continued on insulin treatment (Fig. 1). At
ST:STUDY_SUMMARY                 	age of 18 wk, animals from all groups were analyzed for body composition by an
ST:STUDY_SUMMARY                 	Body Composition Analyzer (EchoMRI, Houston, TX) and euthanized by decapitation
ST:STUDY_SUMMARY                 	wk after the initial STZ or vehicle dose. Figure 1 depicts the timeline of the
ST:STUDY_SUMMARY                 	and blood glucose profiles for each experimental group. Additional animals were
ST:STUDY_SUMMARY                 	for estimation of skeletal muscle insulin sensitivity by acute insulin
ST:STUDY_SUMMARY                 	The mice were divided into the C (n = 6), D ? I (n = 7), and D + I (n = 7)
ST:STUDY_SUMMARY                 	and followed appropriate experimental treatment, except for acute insulin
ST:STUDY_SUMMARY                 	10 min prior to euthanization by pentobarbital overdose. Figure 1 of the
ST:STUDY_SUMMARY                 	PDF of the article summarizes the study design
ST:INSTITUTE                     	Mayo Clinic
ST:DEPARTMENT                    	Endocrinology
ST:LAST_NAME                     	Nair
ST:FIRST_NAME                    	Sreekumaran
ST:ADDRESS                       	-
ST:EMAIL                         	Dasari.Surendra@mayo.edu
ST:PHONE                         	-
ST:NUM_GROUPS                    	3
ST:TOTAL_SUBJECTS                	39
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57BL/6J
SU:AGE_OR_AGE_RANGE              	13-wk-old
SU:GENDER                        	Male
SU:SPECIES_GROUP                 	Mammal
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	C2	Treatment:control	
SUBJECT_SAMPLE_FACTORS           	-	C3	Treatment:control	
SUBJECT_SAMPLE_FACTORS           	-	C35	Treatment:control	
SUBJECT_SAMPLE_FACTORS           	-	C38	Treatment:control	
SUBJECT_SAMPLE_FACTORS           	-	C4	Treatment:control	
SUBJECT_SAMPLE_FACTORS           	-	C44	Treatment:control	
SUBJECT_SAMPLE_FACTORS           	-	C45	Treatment:control	
SUBJECT_SAMPLE_FACTORS           	-	C47	Treatment:control	
SUBJECT_SAMPLE_FACTORS           	-	C48	Treatment:control	
SUBJECT_SAMPLE_FACTORS           	-	C49	Treatment:control	
SUBJECT_SAMPLE_FACTORS           	-	C5	Treatment:control	
SUBJECT_SAMPLE_FACTORS           	-	C50	Treatment:control	
SUBJECT_SAMPLE_FACTORS           	-	C51	Treatment:control	
SUBJECT_SAMPLE_FACTORS           	-	C6	Treatment:control	
SUBJECT_SAMPLE_FACTORS           	-	D+14	Treatment:diabetic treated	
SUBJECT_SAMPLE_FACTORS           	-	D+21	Treatment:diabetic treated	
SUBJECT_SAMPLE_FACTORS           	-	D+23	Treatment:diabetic treated	
SUBJECT_SAMPLE_FACTORS           	-	D+24	Treatment:diabetic treated	
SUBJECT_SAMPLE_FACTORS           	-	D+32	Treatment:diabetic treated	
SUBJECT_SAMPLE_FACTORS           	-	D+52	Treatment:diabetic treated	
SUBJECT_SAMPLE_FACTORS           	-	D+53	Treatment:diabetic treated	
SUBJECT_SAMPLE_FACTORS           	-	D+54	Treatment:diabetic treated	
SUBJECT_SAMPLE_FACTORS           	-	D+55	Treatment:diabetic treated	
SUBJECT_SAMPLE_FACTORS           	-	D+56	Treatment:diabetic treated	
SUBJECT_SAMPLE_FACTORS           	-	D+57	Treatment:diabetic treated	
SUBJECT_SAMPLE_FACTORS           	-	D+58	Treatment:diabetic treated	
SUBJECT_SAMPLE_FACTORS           	-	D+70	Treatment:diabetic treated	
SUBJECT_SAMPLE_FACTORS           	-	D-25	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-28	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-31	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-33	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-36	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-39	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-40	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-41	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-42	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-43	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-60	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-61	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-63	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-64	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-67	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-68	Treatment:diabetic untreated	
SUBJECT_SAMPLE_FACTORS           	-	D-69	Treatment:diabetic untreated	
#COLLECTION
CO:COLLECTION_SUMMARY            	Mitochondria were isolated from quadriceps muscle by differential
CO:COLLECTION_SUMMARY            	as described previously (38). Briefly, quadriceps muscle samples were
CO:COLLECTION_SUMMARY            	on ice using a motor-driven Potter-Elvehjem tissue grinder. After initial
CO:COLLECTION_SUMMARY            	the supernatant containing the mitochondrial and sarcoplasmic fraction was
CO:COLLECTION_SUMMARY            	to a chilled microcentrifuge tube and centrifuged at 10,000 g for 2 min to
CO:COLLECTION_SUMMARY            	mitochondria. The supernatant containing sarcoplasmic fraction was frozen for
CO:COLLECTION_SUMMARY            	analysis. Mitochondrial pellet was washed twice by resuspending/centrifugation
CO:COLLECTION_SUMMARY            	finally suspended in a mitochondrial storage buffer. The levels of both the
CO:COLLECTION_SUMMARY            	and sphingolipids in homogenates and various muscle fractions were normalized
CO:COLLECTION_SUMMARY            	total protein content, as measured by 660 nm Protein Assay (Thermo Scientific;
CO:COLLECTION_SUMMARY            	Protein Biology Products, Rockford, IL).
#TREATMENT
TR:TREATMENT_SUMMARY             	Control/Diabetic; insulin treated/Diabetic; insulin deprived
TR:TREATMENT_COMPOUND            	blank/Insulin/Insulin
TR:TREATMENT_ROUTE               	Skin implants
TR:ANIMAL_ANESTHESIA             	phenobarbital
TR:ANIMAL_ENDP_EUTHANASIA        	5 weeks after treatment
TR:ANIMAL_ENDP_TISSUE_COLL_LIST  	plasma, muscle, liver and skin
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Mitochondria were isolated from quadriceps muscle by differential
SP:SAMPLEPREP_SUMMARY            	as described previously (38). Briefly, quadriceps muscle samples were
SP:SAMPLEPREP_SUMMARY            	on ice using a motor-driven Potter-Elvehjem tissue grinder. After initial
SP:SAMPLEPREP_SUMMARY            	the supernatant containing the mitochondrial and sarcoplasmic fraction was
SP:SAMPLEPREP_SUMMARY            	to a chilled microcentrifuge tube and centrifuged at 10,000 g for 2 min to
SP:SAMPLEPREP_SUMMARY            	mitochondria. The supernatant containing sarcoplasmic fraction was frozen for
SP:SAMPLEPREP_SUMMARY            	analysis. Mitochondrial pellet was washed twice by resuspending/centrifugation
SP:SAMPLEPREP_SUMMARY            	finally suspended in a mitochondrial storage buffer. The levels of both the
SP:SAMPLEPREP_SUMMARY            	and sphingolipids in homogenates and various muscle fractions were normalized
SP:SAMPLEPREP_SUMMARY            	total protein content, as measured by 660 nm Protein Assay (Thermo Scientific;
SP:SAMPLEPREP_SUMMARY            	Protein Biology Products, Rockford, IL). / Plasma free fatty acid
SP:SAMPLEPREP_SUMMARY            	were measured by liquid chromatography/mass spectrometry (LC/MS), as described
SP:SAMPLEPREP_SUMMARY            	(51). Briefly, 50 ?l of plasma was spiked with heptadecanoate internal standard
SP:SAMPLEPREP_SUMMARY            	and analyzed with Applied Biosystems (Foster City, CA) API5000 mass
SP:SAMPLEPREP_SUMMARY            	coupled with a Cohesive (Franklin, MA) TX2 liquid chromatography system.
SP:SAMPLEPREP_SUMMARY            	of individual FFA was measured against a six-point standard curve prepared for
SP:SAMPLEPREP_SUMMARY            	analyte. Both the ISTD and individual FFA standard curves were prepared in 2%
SP:SAMPLEPREP_SUMMARY            	acid-free human albumin solution. All analytes were monitored as their [M ? H]?
SP:SAMPLEPREP_SUMMARY            	plasma LCFa-CoA esters were estimated using the LC-MS/MS method (9). After
SP:SAMPLEPREP_SUMMARY            	in the presence of internal standard (20 ng of heptadecanoyl-CoA), samples were
SP:SAMPLEPREP_SUMMARY            	by UHPLC-ESI-MS/MS operating in multiple reaction monitoring mode [Waters
SP:SAMPLEPREP_SUMMARY            	UHPLC, C8 UPLC BEH column 2.1 × 150 mm, 1.7 ?m (Waters, Milford, MA) and TSQ
SP:SAMPLEPREP_SUMMARY            	Ultra triple-quad mass spectrometer (Thermo Fisher Scientific, Waltham, MA)].
SP:SAMPLEPREP_SUMMARY            	standard curves were prepared using chemicals from Avanti Polar Lipids.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	PMID-24368672-Zabielski-Nair-AJPEM-2014.pdf
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	Pubmed ID: 24368672
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Plasma free fatty acid concentrations were measured by liquid
CH:CHROMATOGRAPHY_SUMMARY        	spectrometry (LC/MS), as described previously (51). Briefly, 50 ?l of plasma
CH:CHROMATOGRAPHY_SUMMARY        	spiked with heptadecanoate internal standard (ISTD) and analyzed with Applied
CH:CHROMATOGRAPHY_SUMMARY        	(Foster City, CA) API5000 mass spectrometer coupled with a Cohesive (Franklin,
CH:CHROMATOGRAPHY_SUMMARY        	TX2 liquid chromatography system. Concentration of individual FFA was measured
CH:CHROMATOGRAPHY_SUMMARY        	a six-point standard curve prepared for each analyte. Both the ISTD and
CH:CHROMATOGRAPHY_SUMMARY        	FFA standard curves were prepared in 2% fatty acid-free human albumin solution.
CH:CHROMATOGRAPHY_SUMMARY        	analytes were monitored as their [M ? H]? ions. LCFa-CoA esters were estimated
CH:CHROMATOGRAPHY_SUMMARY        	the LC-MS/MS method (9). After extraction in the presence of internal standard
CH:CHROMATOGRAPHY_SUMMARY        	ng of heptadecanoyl-CoA), samples were analyzed by UHPLC-ESI-MS/MS operating in
CH:CHROMATOGRAPHY_SUMMARY        	reaction monitoring mode [Waters Acquity UHPLC, C8 UPLC BEH column 2.1 150 mm,
CH:CHROMATOGRAPHY_SUMMARY        	?m (Waters, Milford, MA) and TSQ Quantum Ultra triple-quad mass spectrometer
CH:CHROMATOGRAPHY_SUMMARY        	Fisher Scientific, Waltham, MA)]. All standard curves were prepared using
CH:CHROMATOGRAPHY_SUMMARY        	from Avanti Polar Lipids.
CH:CHROMATOGRAPHY_TYPE           	-
CH:INSTRUMENT_NAME               	-
CH:COLUMN_NAME                   	-
CH:METHODS_FILENAME              	PMID-24368672-Zabielski-Nair-AJPEM-2014.pdf
CH:CHROMATOGRAPHY_COMMENTS       	Pubmed ID: 24368672
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo TSQ Quantum Ultra
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	LCFa-CoA esters were estimated using the LC-MS/MS method (9). After extraction
MS:MS_COMMENTS                   	the presence of internal standard (20 ng of heptadecanoyl-CoA), samples were
MS:MS_COMMENTS                   	by UHPLC-ESI-MS/MS operating in multiple reaction monitoring mode [Waters
MS:MS_COMMENTS                   	UHPLC, C8 UPLC BEH column 2.1 × 150 mm, 1.7 um (Waters, Milford, MA) and TSQ
MS:MS_COMMENTS                   	Ultra triple-quad mass spectrometer (Thermo Fisher Scientific, Waltham, MA)].
MS:MS_COMMENTS                   	standard curves were prepared using chemicals from Avanti Polar Lipids.
MS:MS_COMMENTS                   	UHPLC-ESI-MS/MS operating in multiple reaction monitoring mode [Waters Acquity
MS:MS_COMMENTS                   	C8 UPLC BEH column 2.1 × 150 mm, 1.7 ?m (Waters, Milford, MA) and TSQ Quantum
MS:MS_COMMENTS                   	triple-quad mass spectrometer (Thermo Fisher Scientific, Waltham, MA)].
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	uM
MS_METABOLITE_DATA_START
Samples	C2	C35	C38	C4	C44	C45	C47	C48	C5	C51	C6	D+14	D+21	D+23	D+24	D+32	D+52	D+53	D+54	D+55	D+56	D+57	D+58	D+70	D-33	D-36	D-39	D-40	D-41	D-42	D-43	D-60	D-63	D-64	D-67	D-68	D-69
Factors	Treatment:control	Treatment:control	Treatment:control	Treatment:control	Treatment:control	Treatment:control	Treatment:control	Treatment:control	Treatment:control	Treatment:control	Treatment:control	Treatment:diabetic treated	Treatment:diabetic treated	Treatment:diabetic treated	Treatment:diabetic treated	Treatment:diabetic treated	Treatment:diabetic treated	Treatment:diabetic treated	Treatment:diabetic treated	Treatment:diabetic treated	Treatment:diabetic treated	Treatment:diabetic treated	Treatment:diabetic treated	Treatment:diabetic treated	Treatment:diabetic untreated	Treatment:diabetic untreated	Treatment:diabetic untreated	Treatment:diabetic untreated	Treatment:diabetic untreated	Treatment:diabetic untreated	Treatment:diabetic untreated	Treatment:diabetic untreated	Treatment:diabetic untreated	Treatment:diabetic untreated	Treatment:diabetic untreated	Treatment:diabetic untreated	Treatment:diabetic untreated
CoA(C14:0)	5.2848	6.2778	4.9347	6.3311	5.2943	4.8208	4.7555	4.9267	5.0689	5.9069	4.8734	5.0065	7.7689	5.6185	4.7954	4.7573	4.8604	5.1954	6.5832	5.1038	6.1258	5.0516	5.0680	4.7984	11.6771	7.9040	10.5392	9.1245	11.8395	7.2200	6.1279	7.9160	7.1086	16.7366	7.0848	9.9473	8.3607
CoA(C16:0)	23.9899	23.1492	22.7642	29.8621	25.9300	21.6483	26.0008	21.6630	27.7154	22.3276	19.6078	22.6803	23.5973	24.3506	20.3009	19.8533	22.7783	22.7070	24.5314	28.3529	29.9417	29.9987	21.8870	29.0076	36.6983	33.8463	42.9457	47.7846	42.5615	35.7478	26.5678	35.8500	42.5596	47.1494	25.4268	27.5228	34.3775
CoA(C16:1)	6.8233	6.2519	5.0813	6.9984	4.5096	5.2159	5.3040	5.0678	6.6766	4.8775	5.3869	6.0882	8.9806	7.6869	6.9152	5.0316	5.3544	5.5338	5.2039	6.3070	5.2433	5.2229	5.1413	4.9179	16.1202	10.6829	14.2667	10.0275	12.1121	15.4596	15.4456	15.2491	12.9316	11.3667	15.3407	13.7176	10.7117
CoA(C18:0)	16.4007	15.1143	19.6168	18.9009	16.8359	19.3660	16.0700	17.7580	18.7419	16.5090	15.5846	26.1486	18.7576	23.6485	22.5114	26.4127	19.1982	24.8529	27.5744	21.9703	20.7842	24.1803	23.1946	17.0495	35.0515	34.1142	39.1733	36.2577	27.7970	33.9040	33.4642	29.4441	39.8497	27.5128	31.5765	34.3647	35.0375
CoA(C18:1)	127.0393	150.4921	153.8324	122.1919	153.5189	140.3683	196.1930	140.6318	199.5369	190.3457	135.5862	153.1214	238.6221	195.4221	243.4459	248.0229	250.1856	279.1965	267.2188	225.8604	315.1545	199.7275	211.2388	244.8166	339.4013	365.4142	397.6767	348.1690	316.9819	317.8112	397.5645	303.3289	382.1000	330.7714	300.7500	331.9967	369.8437
CoA(C18:2)	23.8905	18.5148	20.9020	24.6729	20.1013	18.3353	20.9066	19.6199	23.1227	23.6154	21.2328	26.4506	25.0762	24.6886	26.1773	27.5672	26.7162	24.8892	21.3818	22.8363	23.8613	28.8370	23.2404	26.9156	38.5613	36.8439	36.4021	30.8827	38.4368	32.4936	27.6908	29.5947	34.6330	29.0255	29.5366	31.5836	35.8978
CoA(C20:0)	8.3788	9.2092	8.9167	9.8753	7.6880	9.2592	8.4641	9.3432	7.0205	8.4396	8.0056	8.3038	9.4741	7.6048	7.5877	10.2779	8.8250	11.0171	8.9912	9.8948	10.9749	10.2920	9.1123	11.8782	12.1054	13.4570	15.2562	9.5571	10.4248	15.2788	9.5028	9.1944	19.7083	12.5794	15.4695	12.3302	13.1275
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
CoA(C14:0)								MAYO_ID
CoA(C16:0)								MAYO_ID
CoA(C16:1)								MAYO_ID
CoA(C18:0)								MAYO_ID
CoA(C18:1)								MAYO_ID
CoA(C18:2)								MAYO_ID
CoA(C20:0)								MAYO_ID
METABOLITES_END
#END