#METABOLOMICS WORKBENCH amroilaiwy_20160324_103014 DATATRACK_ID:669 STUDY_ID:ST000428 ANALYSIS_ID:AN000678 PROJECT_ID:PR000332
VERSION             	1
CREATED_ON             	July 25, 2016, 2:09 pm
#PROJECT
PR:PROJECT_TITLE                 	Lung injury-induced skeletal muscle wasting in aged mice is linked to
PR:PROJECT_TITLE                 	alterations in long chain fatty acid metabolism
PR:PROJECT_TYPE                  	Metabolomics
PR:PROJECT_SUMMARY               	Non targeted and targeted metabolomic analysis on gastrocnemius tissue samples
PR:PROJECT_SUMMARY               	obtained from skeletal muscle of adult and old mice after inducing lung injury
PR:INSTITUTE                     	University of North Carolina
PR:DEPARTMENT                    	McAllister Heart Institute, Department of Internal Medicine
PR:LABORATORY                    	Multiple Centers
PR:LAST_NAME                     	Willis, Ilaiwy
PR:FIRST_NAME                    	Monte, Amro
PR:ADDRESS                       	111 Mason Farm road, Chapel Hill, North Carolina, 27599-7126, USA
PR:EMAIL                         	monte_willis@med.unc.edu, amroilaiwy@gmail.com
PR:PHONE                         	210-596-0171
PR:FUNDING_SOURCE                	NIH, Fondation Leducq, Claude D. Pepper Older Americans Independence Center, the
PR:FUNDING_SOURCE                	American Thoracic Society Foundation
#STUDY
ST:STUDY_TITLE                   	Targeted metabolomics of gastrocnemius tissue samples obtained from 20 month old
ST:STUDY_TITLE                   	(old) mice- Both Sham and after inducing lung injury (part II)
ST:STUDY_TYPE                    	Targeted metabolomic analysis
ST:STUDY_SUMMARY                 	Introduction: Older patients are more likely to acquire and die from acute
ST:STUDY_SUMMARY                 	respiratory distress syndrome (ARDS) and muscle weakness may be more significant
ST:STUDY_SUMMARY                 	in older survivors. Recent data implicate muscle ring finger protein 1 (MuRF1)
ST:STUDY_SUMMARY                 	in lung injury-induced skeletal muscle atrophy in young mice and identify an
ST:STUDY_SUMMARY                 	alternative role for MuRF1 in cardiac metabolism regulation through inhibition
ST:STUDY_SUMMARY                 	of fatty acid oxidation. Objectives: To develop a model of lung injury-induced
ST:STUDY_SUMMARY                 	muscle wasting in old mice and to evaluate the skeletal muscle metabolomic
ST:STUDY_SUMMARY                 	profile of adult and old acute lung injury (ALI) mice. Methods: Young (2 month),
ST:STUDY_SUMMARY                 	adult (6 month) and old (20 month) male C57Bl6J mice underwent Sham
ST:STUDY_SUMMARY                 	(intratracheal H2O) or ALI [intratracheal E. coli lipopolysaccharide (i.t. LPS)]
ST:STUDY_SUMMARY                 	conditions and muscle functional testing. Metabolomic analysis on gastrocnemius
ST:STUDY_SUMMARY                 	muscle was performed using gas chromatography-mass spectrometry (GC-MS).
ST:STUDY_SUMMARY                 	Results: Old ALI mice had increased mortality and failed to recover skeletal
ST:STUDY_SUMMARY                 	muscle function compared to adult ALI mice. Muscle MuRF1 expression was
ST:STUDY_SUMMARY                 	increased in old ALI mice at day 3. Non-targeted muscle metabolomics revealed
ST:STUDY_SUMMARY                 	alterations in amino acid biosynthesis and fatty acid metabolism in old ALI
ST:STUDY_SUMMARY                 	mice. Targeted metabolomics of fatty acid intermediates (acyl-carnitines) and
ST:STUDY_SUMMARY                 	amino acids revealed a reduction in long chain acyl-carnitines in old ALI mice.
ST:STUDY_SUMMARY                 	Conclusion: This study demonstrates age-associated susceptibility to ALI-induced
ST:STUDY_SUMMARY                 	muscle wasting which parallels a metabolomic profile suggestive of altered
ST:STUDY_SUMMARY                 	muscle fatty acid metabolism. MuRF1 activation may contribute to both atrophy
ST:STUDY_SUMMARY                 	and impaired fatty acid oxidation, which may synergistically impair muscle
ST:STUDY_SUMMARY                 	function in old ALI mice.
ST:INSTITUTE                     	University of North Carolina, Duke University
ST:DEPARTMENT                    	UNC McAllister Heart Institute, Duke Molecular Physiology Institute
ST:LABORATORY                    	Multiple Centers
ST:LAST_NAME                     	Willis, Ilaiwy
ST:FIRST_NAME                    	Monte, Amro
ST:ADDRESS                       	111 Mason Farm road, Chapel Hill, North Carolina, 27599-7126, USA
ST:EMAIL                         	monte_willis@med.unc.edu, amroilaiwy@gmail.com
ST:PHONE                         	210-596-0171
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	A08	Sample:Sham 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A09	Sample:Sham 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A10	Sample:Sham 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A11	Sample:Sham 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A12	Sample:Sham 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A32	Sample:Sham 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A33	Sample:Sham 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A34	Sample:Sham 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A50	Sample:Sham 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A52	Sample:Sham 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A05	Sample:ALI 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A106	Sample:ALI 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A108	Sample:ALI 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A109	Sample:ALI 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A110	Sample:ALI 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A111	Sample:ALI 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A45	Sample:ALI 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A46	Sample:ALI 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A47	Sample:ALI 20mth	
SUBJECT_SAMPLE_FACTORS           	-	A48	Sample:ALI 20mth	
#COLLECTION
CO:COLLECTION_SUMMARY            	Gastrocnemius tissue was harvested and then flash frozen in a liquid nitrogen
CO:COLLECTION_SUMMARY            	cooled biopress
#TREATMENT
TR:TREATMENT_SUMMARY             	Treatment Summary Fraction of gastrocnemius tissue weighed (25–50 mg wet
TR:TREATMENT_SUMMARY             	weight), then the finely cut up tissue quickly added to fresh pre-made buffer
TR:TREATMENT_SUMMARY             	(50 % acetyl-nitrile, 50 % water, 0.3% formic acid) at a standard concentration
TR:TREATMENT_SUMMARY             	of 25 mg/475 mcl buffer then fully homogenized on ice for 10–25 s and placed
TR:TREATMENT_SUMMARY             	on dry ice/stored at - 80C
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Amino acids and acyl-carnitines were analyzed using stable isotope dilution
SP:SAMPLEPREP_SUMMARY            	techniques. Amino acids and acyl-carnitine measurements were made by flow
SP:SAMPLEPREP_SUMMARY            	injection tandem mass spectrometry
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	ACQUITY UPLC 1.7 µm column
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 5975
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	uM
MS_METABOLITE_DATA_START
Samples	A08	A09	A10	A11	A12	A32	A33	A34	A50	A52	A05	A106	A108	A109	A110	A111	A45	A46	A47
Factors	Sample:Sham 20mth	Sample:Sham 20mth	Sample:Sham 20mth	Sample:Sham 20mth	Sample:Sham 20mth	Sample:Sham 20mth	Sample:Sham 20mth	Sample:Sham 20mth	Sample:Sham 20mth	Sample:Sham 20mth	Sample:ALI 20mth	Sample:ALI 20mth	Sample:ALI 20mth	Sample:ALI 20mth	Sample:ALI 20mth	Sample:ALI 20mth	Sample:ALI 20mth	Sample:ALI 20mth	Sample:ALI 20mth
C2	8.408096	7.057030	3.601510	6.330926	7.147509	4.489284	3.229245	5.655864	4.360230	6.078307	3.795169	4.502220	7.960485	6.633803	5.954663	5.226364	5.435469	3.084119	5.969011
C3	0.066930	0.041813	0.021807	0.020456	0.054927	0.019828	0.019681	0.056456	0.047291	0.045615	0.018445	0.021242	0.038660	0.046830	0.068836	0.024028	0.053177	0.046044	0.021807
C4/Ci4	0.170727	0.194612	0.180748	0.215239	0.266705	0.095538	0.095743	0.111735	0.073106	0.130250	0.042957	0.074573	0.149205	0.235148	0.172766	0.114933	0.099455	0.159900	0.132553
C5:1	0.034791	0.038766	0.038766	0.041450	0.035351	0.043489	0.042486	0.029627	0.026229	0.031325	0.054174	0.028828	0.048347	0.034179	0.047481	0.043081	0.048738	0.031614	0.033194
C5	0.013539	0.009887	0.011586	0.017854	0.010193	0.024038	0.027809	0.017395	0.011942	0.024173	0.006455	0.022577	0.019876	0.016495	0.043387	0.015255	0.016563	0.012605	0.011569
C4-OH	0.112679	0.251078	0.157680	0.104253	0.202442	0.175228	0.035080	0.068274	0.032328	0.089050	0.036048	0.035946	0.029593	0.054463	0.040040	0.029830	0.108789	0.092923	0.134101
C5-DC	0.000000	0.003134	0.002987	0.000000	0.003024	0.003257	0.001819	0.002667	0.004757	0.004093	0.002790	0.004536	0.001475	0.005482	0.003638	0.003565	0.005986	0.000000	0.001819
C5-OH/C3-DC	0.047179	0.037845	0.038516	0.053106	0.057116	0.039441	0.045570	0.054582	0.031985	0.071077	0.033513	0.044765	0.052744	0.040205	0.054756	0.037389	0.053321	0.051846	0.041788
C4-DC/Ci4-DC	0.058177	0.042149	0.025161	0.072731	0.049487	0.018573	0.020036	0.070973	0.042616	0.055522	0.024240	0.018954	0.044017	0.040416	0.052277	0.032610	0.035204	0.063549	0.050323
C8:1	0.002299	0.002213	0.001979	0.002741	0.000000	0.003024	0.002643	0.003073	0.004241	0.003134	0.000000	0.002544	0.003196	0.000996	0.001709	0.001954	0.002680	0.005605	0.001831
C8	0.008801	0.008297	0.024903	0.013226	0.011923	0.018413	0.016705	0.018020	0.010067	0.014615	0.003294	0.008174	0.022175	0.007387	0.009293	0.005581	0.010854	0.016643	0.012120
C6	0.030120	0.028095	0.054515	0.030107	0.037483	0.039870	0.022557	0.023281	0.010742	0.036719	0.004788	0.004975	0.040058	0.021189	0.015986	0.008113	0.018949	0.080303	0.032709
C8:1-OH/C6:1-DC	0.004177	0.002472	0.004188	0.001545	0.002392	0.006363	0.001350	0.002735	0.004040	0.004131	0.001945	0.007267	0.002151	0.001179	0.001350	0.002243	0.002140	0.002598	0.002632
C6-DC/C8-OH	0.003902	0.005104	0.011775	0.004726	0.006386	0.009967	0.003513	0.004715	0.005550	0.002392	0.003456	0.004154	0.003193	0.004486	0.001259	0.002689	0.002643	0.004406	0.011501
C10:3	0.001682	0.000000	0.000000	0.000000	0.000538	0.000366	0.000710	0.000526	0.000607	0.000458	0.004909	0.002815	0.000366	0.000401	0.000710	0.000000	0.001018	0.001099	0.000103
C10:2	0.002323	0.000858	0.002174	0.000538	0.000000	0.000607	0.003055	0.001099	0.001064	0.004577	0.000618	0.002918	0.002392	0.000835	0.001362	0.000629	0.001305	0.000000	0.001614
C10:1	0.000000	0.003204	0.004669	0.004543	0.001923	0.002186	0.009315	0.006008	0.009006	0.005481	0.002071	0.002952	0.006363	0.001717	0.004452	0.003364	0.006431	0.003662	0.003959
C10	0.006729	0.013217	0.018653	0.020587	0.010299	0.009189	0.010620	0.011558	0.013446	0.014510	0.004497	0.003548	0.022063	0.008548	0.005676	0.006946	0.011810	0.012622	0.016742
C7-DC	0.000515	0.002014	0.003078	0.002861	0.002952	0.002266	0.002598	0.001327	0.001522	0.000607	0.000561	0.002861	0.001327	0.001430	0.001076	0.000183	0.001522	0.003307	0.003570
C8:1-DC	0.002399	0.002250	0.002230	0.000169	0.001180	0.002924	0.004114	0.000773	0.002012	0.001318	0.000763	0.001259	0.001209	0.002439	0.001160	0.001517	0.001586	0.002042	0.000625
C10-OH/C8-DC	0.004292	0.002211	0.012709	0.004530	0.007841	0.004907	0.002280	0.004045	0.004481	0.003648	0.002092	0.002379	0.005026	0.002458	0.001983	0.001388	0.002825	0.002756	0.005730
C12:2	0.000684	0.001199	0.001437	0.000000	0.001100	0.000000	0.003073	0.001229	0.001854	0.000367	0.000000	0.000942	0.001874	0.001338	0.000833	0.001338	0.001556	0.000000	0.002548
C12:1	0.006007	0.004045	0.009497	0.011361	0.004451	0.003698	0.005472	0.006672	0.004074	0.013878	0.001606	0.002746	0.008456	0.002875	0.003995	0.002072	0.004620	0.006751	0.006810
C12	0.015475	0.023970	0.030592	0.035727	0.016149	0.022434	0.024277	0.027876	0.016079	0.029611	0.008882	0.005105	0.052520	0.012273	0.011172	0.023911	0.020401	0.040020	0.029165
C12:2-OH/C10:2-DC	0.000469	0.005998	0.000469	0.002542	0.000765	0.001407	0.001456	0.001185	0.001506	0.001432	0.000395	0.000987	0.001357	0.000444	0.001950	0.000617	0.000839	0.002271	0.002295
C12:1-OH/C10:1-DC	0.002246	0.001357	0.005306	0.003826	0.002690	0.002962	0.002369	0.004146	0.003850	0.001086	0.000395	0.001209	0.016512	0.002369	0.001629	0.001382	0.001209	0.001456	0.002221
C12-OH/C10-DC	0.001777	0.001037	0.005998	0.001555	0.002049	0.003233	0.001308	0.003357	0.002789	0.002098	0.001802	0.001604	0.001061	0.000395	0.001506	0.000765	0.001506	0.002986	0.003184
C14:3	0.001012	0.001333	0.001382	0.001530	0.000666	0.000000	0.002147	0.002912	0.001135	0.001530	0.000740	0.001456	0.000420	0.000543	0.000568	0.000889	0.001111	0.001678	0.002986
C14:2	0.009107	0.008342	0.005973	0.011625	0.006121	0.004838	0.008984	0.017499	0.013723	0.014907	0.001678	0.002295	0.020016	0.001900	0.003455	0.002419	0.007972	0.008935	0.009922
C14:1	0.025027	0.032308	0.042180	0.049190	0.020461	0.027297	0.037392	0.057581	0.035343	0.056150	0.013673	0.008614	0.078832	0.010021	0.029691	0.010144	0.027421	0.043044	0.052966
C14	0.085742	0.065430	0.136043	0.119037	0.072957	0.099761	0.096874	0.105043	0.050177	0.099588	0.029371	0.020288	0.145742	0.054002	0.045586	0.049535	0.058889	0.126762	0.144829
C14:3-OH/C12:3-DC	0.000642	0.001185	0.001530	0.002937	0.000814	0.000740	0.000691	0.000444	0.001234	0.000642	0.000000	0.001703	0.001037	0.000321	0.000494	0.000222	0.000049	0.000271	0.000814
C14:2-OH/C12:2-DC	0.006417	0.003480	0.008392	0.002641	0.007947	0.001999	0.001506	0.004097	0.004492	0.003307	0.000691	0.001777	0.003653	0.000839	0.001086	0.001703	0.002295	0.002740	0.002986
C14:1-OH/C12:1-DC	0.014759	0.008614	0.030062	0.014463	0.009404	0.015549	0.015623	0.007108	0.003307	0.007108	0.004245	0.002221	0.010810	0.009700	0.004887	0.010070	0.007429	0.010391	0.019202
C14-OH/C12-DC	0.006146	0.004443	0.016438	0.006466	0.009280	0.007503	0.003900	0.003924	0.003603	0.006022	0.002394	0.001308	0.003974	0.002690	0.001950	0.002147	0.002838	0.008021	0.008268
C16:3	0.003462	0.001812	0.003523	0.003724	0.001389	0.002375	0.002657	0.003885	0.001671	0.003140	0.000765	0.002275	0.003301	0.000886	0.000966	0.001027	0.002093	0.003482	0.003925
C16:2	0.021900	0.010789	0.031502	0.023591	0.014050	0.011353	0.016143	0.021035	0.015680	0.024276	0.005193	0.002738	0.026087	0.004771	0.007206	0.003986	0.008434	0.011675	0.027858
C16:1	0.111977	0.069284	0.210589	0.175283	0.127457	0.060165	0.141487	0.079751	0.068982	0.128604	0.028140	0.017995	0.092090	0.054751	0.033374	0.047786	0.043318	0.088427	0.170432
C16	0.790324	0.405055	1.303129	0.868142	0.556445	0.747288	0.798879	0.362563	0.178000	0.362362	0.144063	0.104912	0.484867	0.535994	0.144123	0.487624	0.172807	0.585451	1.209530
C16:3-OH/C14:3-DC	0.001228	0.000543	0.001349	0.001288	0.000785	0.000382	0.000825	0.001349	0.000000	0.000926	0.000564	0.000000	0.000382	0.000443	0.000866	0.000262	0.001006	0.001469	0.001610
C16:2-OH/C14:2-DC	0.009300	0.004509	0.016707	0.010467	0.006361	0.005535	0.009622	0.006220	0.006904	0.006602	0.001973	0.001268	0.004368	0.004509	0.002818	0.003019	0.002295	0.005173	0.008555
C16:1-OH/C14:1-DC	0.020793	0.009742	0.055918	0.027899	0.021417	0.022222	0.017210	0.013386	0.005717	0.012581	0.004006	0.004650	0.010769	0.012722	0.003825	0.006341	0.005978	0.012238	0.032971
C16-OH/C14-DC	0.049598	0.017492	0.069062	0.041768	0.037259	0.049477	0.021216	0.016848	0.007830	0.020511	0.006844	0.002073	0.018639	0.020612	0.010548	0.011131	0.011695	0.033515	0.073893
C18:3	0.023601	0.007056	0.025860	0.016388	0.014357	0.008264	0.016213	0.010873	0.006723	0.012939	0.005883	0.003257	0.011240	0.004360	0.004185	0.004412	0.004762	0.010803	0.018436
C18:2	0.307762	0.080223	0.241213	0.188373	0.139577	0.095368	0.128039	0.128056	0.110023	0.176870	0.031042	0.025422	0.112631	0.047045	0.039166	0.019119	0.042475	0.065044	0.152130
C18:1	0.651154	0.257216	0.822263	0.622370	0.472744	0.258826	0.391400	0.284966	0.225088	0.376027	0.084338	0.065394	0.294753	0.259842	0.125132	0.155194	0.131891	0.208245	0.628726
C18	0.250422	0.131575	0.441018	0.301162	0.198545	0.203150	0.232844	0.088522	0.041687	0.094633	0.037328	0.029624	0.112316	0.191734	0.031638	0.072047	0.037258	0.095403	0.259264
C18:3-OH/C16:3-DC	0.003309	0.001313	0.005743	0.001576	0.003817	0.001156	0.001278	0.002136	0.001243	0.002766	0.000560	0.001348	0.001383	0.000683	0.000700	0.000508	0.000718	0.000875	0.002101
C18:2-OH/C16:2-DC	0.027278	0.008754	0.044296	0.020817	0.017666	0.012291	0.009192	0.006811	0.004377	0.009507	0.002574	0.001698	0.008929	0.004640	0.006898	0.003292	0.003887	0.004675	0.022516
C18:1-OH/C16:1-DC	0.044104	0.020135	0.097469	0.054381	0.048638	0.026210	0.032478	0.010312	0.008737	0.021133	0.007634	0.001628	0.016493	0.013131	0.006268	0.006075	0.011993	0.016931	0.065867
C18-OH/C16-DC	0.012974	0.011906	0.037398	0.026000	0.017841	0.020135	0.016878	0.006478	0.004290	0.005743	0.003327	0.002364	0.010032	0.008912	0.005060	0.005235	0.004885	0.009209	0.025422
C20:4	0.011626	0.006583	0.015670	0.013674	0.008229	0.012203	0.006828	0.015828	0.014077	0.014672	0.002381	0.003992	0.008334	0.005358	0.013832	0.003309	0.010120	0.009822	0.011048
C20:3	0.018892	0.006811	0.022831	0.012816	0.011380	0.009945	0.011433	0.007791	0.004342	0.007861	0.001838	0.001418	0.006286	0.004220	0.002819	0.001121	0.002591	0.003204	0.013411
C20:2	0.077895	0.027751	0.103142	0.067950	0.055326	0.029467	0.025965	0.010312	0.005725	0.009087	0.004044	0.001593	0.013341	0.017228	0.003834	0.002171	0.004342	0.007476	0.035857
C20:1	0.102179	0.045959	0.162863	0.130945	0.113577	0.044979	0.054504	0.014655	0.006811	0.020765	0.005288	0.001856	0.031410	0.069438	0.006303	0.011853	0.007213	0.013394	0.073990
C20	0.017981	0.009945	0.037415	0.030149	0.020747	0.013586	0.013954	0.004185	0.002241	0.005708	0.002416	0.001383	0.005935	0.014917	0.003467	0.002836	0.004062	0.004972	0.009892
C20:3-OH/C18:3-DC	0.003939	0.001015	0.002469	0.002486	0.002101	0.001401	0.001506	0.001243	0.000123	0.000333	0.000578	0.001436	0.000700	0.000998	0.000683	0.001051	0.000753	0.000263	0.002311
C20:2-OH/C18:2-DC	0.006828	0.005007	0.012466	0.008334	0.006898	0.005848	0.006986	0.001838	0.001366	0.002731	0.000823	0.002399	0.002556	0.002661	0.001873	0.000560	0.001908	0.001751	0.005200
C20:1-OH/C18:1-DC	0.006321	0.004027	0.016195	0.008894	0.010470	0.004202	0.004692	0.004762	0.000823	0.003029	0.000000	0.001401	0.002749	0.005725	0.001593	0.001891	0.001261	0.003939	0.008176
C20-OH/C18-DC/C22:6	0.007319	0.003484	0.010470	0.008754	0.004937	0.008964	0.007791	0.009472	0.010400	0.010593	0.002311	0.002924	0.005533	0.002661	0.005463	0.001243	0.002504	0.002854	0.010768
C22:5	0.011258	0.004727	0.015320	0.009962	0.009402	0.008281	0.004745	0.006793	0.005708	0.004885	0.000770	0.001173	0.005025	0.001383	0.001611	0.000683	0.001558	0.003589	0.010593
C22:4	0.006391	0.002574	0.005918	0.003554	0.003624	0.002906	0.003397	0.002241	0.000858	0.001716	0.000105	0.001278	0.001086	0.001296	0.001541	0.000945	0.001523	0.001138	0.004972
C22:3	0.005865	0.002048	0.006040	0.004149	0.004692	0.001296	0.002696	0.000000	0.000875	0.000438	0.000000	0.000000	0.000753	0.001471	0.000000	0.000508	0.000700	0.001506	0.001751
C22:2	0.007301	0.003922	0.016283	0.008141	0.009595	0.004692	0.003992	0.001768	0.000718	0.001523	0.000560	0.001138	0.001803	0.006671	0.000718	0.000998	0.001506	0.001121	0.004657
C22:1	0.006706	0.003817	0.018139	0.011608	0.010050	0.004290	0.005077	0.002294	0.001996	0.001646	0.001943	0.001558	0.002976	0.009384	0.002574	0.002189	0.003764	0.001681	0.006688
C22	0.001296	0.001086	0.003974	0.002224	0.001418	0.001156	0.001296	0.000508	0.000315	0.000613	0.000000	0.000473	0.000403	0.002346	0.000718	0.000788	0.000595	0.000000	0.000683
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
C2
C3
C4/Ci4
C5:1
C5
C4-OH
C5-OH/C3-DC
C5-DC
C4-DC/Ci4-DC
C6
C8:1
C8
C8:1-OH/C6:1-DC
C6-DC/C8-OH
C10:3
C10:2
C10:1
C10
C7-DC
C8:1-DC
C10-OH/C8-DC
C12:2
C12:1
C12
C12:2-OH/C10:2-DC
C12:1-OH/C10:1-DC
C12-OH/C10-DC
C14:3
C14:2
C14:1
C14
C14:3-OH/C12:3-DC
C14:2-OH/C12:2-DC
C14:1-OH/C12:1-DC
C14-OH/C12-DC
C16:3
C16:2
C16:1
C16
C16:3-OH/C14:3-DC
C16:2-OH/C14:2-DC
C16:1-OH/C14:1-DC
C16-OH/C14-DC
C18:3
C18:2
C18:1
C18
C18:3-OH/C16:3-DC
C18:2-OH/C16:2-DC
C18:1-OH/C16:1-DC
C18-OH/C16-DC
C20:4
C20:3
C20:2
C20:1
C20
C20:3-OH/C18:3-DC
C20:2-OH/C18:2-DC
C20:1-OH/C18:1-DC
C20-OH/C18-DC/C22:6
C22:5
C22:4
C22:3
C22:2
C22:1
C22
METABOLITES_END
#END