#METABOLOMICS WORKBENCH amroilaiwy_20160324_093915 DATATRACK_ID:668 STUDY_ID:ST000427 ANALYSIS_ID:AN000677 PROJECT_ID:PR000332
VERSION             	1
CREATED_ON             	July 25, 2016, 2:02 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 6 month old
ST:STUDY_TITLE                   	(adult) mice- Both Sham and after inducing lung injury
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           	-	M10	Group:Sham 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M11	Group:Sham 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M12	Group:Sham 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M28	Group:Sham 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M29	Group:Sham 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M30	Group:Sham 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M53	Group:Sham 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M54	Group:Sham 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M55	Group:Sham 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M9	Group:Sham 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M35	Group:ALI 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M36	Group:ALI 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M37	Group:ALI 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M38	Group:ALI 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M39	Group:ALI 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M62	Group:ALI 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M63	Group:ALI 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M64	Group:ALI 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M65	Group:ALI 6mth	
SUBJECT_SAMPLE_FACTORS           	-	M66	Group:ALI 6mth	
#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	M10	M11	M12	M28	M29	M30	M53	M54	M55	M9	M35	M36	M37	M38	M39	M62	M63	M64	M65	M66
Factors	Group:Sham 6mth	Group:Sham 6mth	Group:Sham 6mth	Group:Sham 6mth	Group:Sham 6mth	Group:Sham 6mth	Group:Sham 6mth	Group:Sham 6mth	Group:Sham 6mth	Group:Sham 6mth	Group:ALI 6mth	Group:ALI 6mth	Group:ALI 6mth	Group:ALI 6mth	Group:ALI 6mth	Group:ALI 6mth	Group:ALI 6mth	Group:ALI 6mth	Group:ALI 6mth	Group:ALI 6mth
C2	4.649072	3.502877	4.515236	2.791278	4.583683	2.788377	1.976420	6.620396	3.776273	3.620405	4.854178	3.510717	3.748361	6.321518	4.944735	5.795424	4.388220	3.420082	5.087510	4.440438
C3	0.048495	0.022530	0.025924	0.025169	0.033716	0.026667	0.021671	0.031360	0.015900	0.015659	0.029160	0.025285	0.022855	0.059399	0.017429	0.040566	0.015973	0.021828	0.016046	0.025704
C4/Ci4	0.130543	0.182655	0.225392	0.105265	0.129443	0.090374	0.013175	0.170610	0.071830	0.089684	0.172825	0.111075	0.069335	0.160648	0.101010	0.112850	0.129663	0.043397	0.107436	0.050043
C5:1	0.038443	0.035046	0.045051	0.037475	0.029576	0.027435	0.032243	0.037509	0.050589	0.021252	0.048976	0.018975	0.090799	0.054768	0.028913	0.044321	0.041875	0.031801	0.025787	0.015204
C5	0.037781	0.024190	0.026518	0.032260	0.038868	0.045000	0.012775	0.019213	0.008392	0.012537	0.022203	0.011229	0.010872	0.014575	0.014779	0.024021	0.018075	0.017650	0.013539	0.012877
C4-OH	0.104984	0.062905	0.125641	0.078874	0.053885	0.023851	0.009819	0.035182	0.026416	0.033975	0.167159	0.058879	0.038511	0.185964	0.043522	0.046563	0.053053	0.043285	0.026569	0.036150
C5-OH/C3-DC	0.042727	0.039977	0.048560	0.047970	0.045073	0.036772	0.036236	0.047943	0.060791	0.033419	0.050424	0.039468	0.043799	0.044202	0.042217	0.051725	0.037107	0.036330	0.056405	0.048989
C5-DC	0.005912	0.001807	0.004364		0.004892	0.005236	0.003257	0.003466	0.001635	0.003847	0.000381	0.001155	0.001549	0.003184	0.011407	0.000565	0.002606	0.004425		0.001180
C4-DC/Ci4-DC	0.023121	0.068109	0.075361	0.019581	0.042911	0.018954	0.018807	0.073137	0.057170	0.015389	0.034159	0.026034	0.026931	0.020048	0.025825	0.050532	0.034614	0.042874	0.071354	0.038301
C6	0.015583	0.047192	0.036437	0.041546	0.017783	0.036383	0.008127	0.030000	0.016026	0.016160	0.034613	0.023348	0.018681	0.049365	0.015597	0.018601	0.017756	0.026164	0.027707	0.011600
C8:1		0.001930	0.003983	0.006158		0.003651		0.001942	0.001623	0.003122	0.004019	0.003282	0.003048	0.004130	0.002471	0.003073	0.005359		0.002262	0.000688
C8	0.010719	0.017995	0.006490	0.017258	0.017442	0.016975	0.008395	0.019016	0.004437	0.009182	0.015230	0.012120	0.003700	0.016975	0.019409	0.009231	0.009489	0.009452	0.014996	0.004757
C8:1-OH/C6:1-DC	0.001602	0.003273	0.003891	0.006969	0.002129	0.004555	0.001522	0.004211	0.003570	0.001430	0.001797	0.001385	0.002827	0.003479	0.004154	0.002048	0.001350	0.002060	0.002746	0.001842
C6-DC/C8-OH	0.007450	0.004761	0.003731	0.007507	0.004280	0.002689	0.001923	0.005115	0.003055	0.001648	0.004761	0.002357	0.001980	0.009018	0.005928	0.001808	0.006557	0.003742	0.001282	0.004040
C10:3		0.001007		0.000618	0.000275	0.000767	0.000996	0.000767	0.001007	0.000481	0.000080		0.001373	0.001236	0.000057	0.001831	0.004200	0.000824		0.000423
C10:2	0.001545	0.000446	0.001442		0.005527	0.000950	0.001362	0.003879	0.001877	0.001499	0.001694	0.000950			0.000515	0.004177	0.000938	0.001762	0.002083	
C10:1		0.006717	0.007827	0.004371	0.003799	0.004040	0.001224	0.007736	0.002403	0.002563	0.004852	0.008834		0.004692	0.004818	0.004200	0.003548	0.002895	0.006489	
C10	0.011054	0.017028	0.013023	0.019420	0.015289	0.021422	0.007312	0.016055	0.015151	0.008743	0.008915	0.019351	0.004303	0.015060	0.013893	0.015014	0.018378	0.011535	0.019237	0.005207
C7-DC	0.002643	0.002483	0.001854	0.003628	0.002323	0.000847	0.001282	0.003147	0.001156	0.001659	0.002563	0.001739	0.000996	0.001579	0.001728	0.002151	0.003261		0.001545	0.001648
C8:1-DC		0.002171	0.001606	0.001318	0.000486	0.001170	0.001199	0.001774	0.002042	0.001081	0.001804	0.001110	0.000287	0.004887	0.001249	0.002349	0.001348	0.001606	0.002805	0.001794
C10-OH/C8-DC	0.005819	0.005512	0.002855	0.004451	0.004144	0.004788	0.002449	0.002835	0.002409	0.001933	0.003608	0.001715	0.000743	0.007435	0.001893	0.001001	0.004074	0.002776	0.003559	0.002389
C12:2	0.002290	0.001685	0.000942	0.002230	0.001576	0.002716	0.001665	0.002409	0.000486	0.000912	0.001259	0.000634	0.000981	0.002141	0.000724	0.000922	0.003242	0.000734	0.001120	0.001081
C12:1	0.002389	0.014364	0.007940	0.006791	0.010954	0.006503	0.003142	0.007613	0.006681	0.004620	0.004689	0.010181	0.005036	0.011628	0.005948		0.011707	0.004947	0.010389	0.002577
C12	0.013333	0.039603	0.019816	0.033348	0.027509	0.037968	0.011479	0.041774	0.033378	0.014235	0.028550	0.029710	0.019192	0.036163	0.039663	0.021631	0.051856	0.018409	0.044570	0.007940
C12:2-OH/C10:2-DC	0.001752	0.000568	0.001061	0.001209	0.002147	0.001950	0.001135	0.002295	0.000321	0.001752	0.000444	0.001283	0.000691	0.001234	0.001135	0.000814	0.001061	0.003554	0.000222	0.001061
C12:1-OH/C10:1-DC	0.001925	0.005998	0.001506	0.005356	0.001925	0.004048	0.001604	0.004912	0.001900	0.005282	0.003455	0.002838	0.001333	0.007799	0.003011	0.002838	0.003603	0.005874	0.004541	0.000518
C12-OH/C10-DC	0.002443	0.002888	0.001456	0.003406	0.001382	0.002295	0.000913	0.002024	0.001432	0.001506	0.002098	0.002715	0.002049	0.006318	0.001407	0.001629	0.001851	0.001752	0.001209	0.000494
C14:3	0.000518	0.002690	0.000864	0.002394	0.002888	0.000790	0.000963	0.002641	0.002443	0.001333	0.001308	0.000839	0.001308	0.002764	0.001061	0.001037	0.001308	0.001185	0.003431	0.001160
C14:2	0.003850	0.023274	0.008540	0.010514	0.012489	0.009848	0.003332	0.020930	0.012859	0.007108	0.009305	0.012612	0.002962	0.004023	0.003258	0.008861	0.008145	0.006022	0.011403	0.002345
C14:1	0.014661	0.058766	0.035714	0.024336	0.033813	0.036577	0.011427	0.067133	0.046327	0.026384	0.034998	0.063233	0.027125	0.035393	0.036627	0.029050	0.039885	0.032826	0.057630	0.016709
C14	0.042353	0.227165	0.099811	0.104870	0.104451	0.137400	0.039835	0.202139	0.154677	0.092382	0.116322	0.120024	0.043735	0.127281	0.090160	0.077820	0.120518	0.081152	0.240320	0.037145
C14:3-OH/C12:3-DC	0.000296	0.001752	0.000321	0.001308	0.000123	0.001234		0.000543	0.000642			0.000642	0.000568	0.001209	0.000148	0.001481	0.000963	0.000271	0.001752	0.000296
C14:2-OH/C12:2-DC	0.002197	0.003283	0.004393	0.003554	0.004023	0.003110	0.001357	0.002221	0.002098	0.002468	0.002098	0.003752	0.003060	0.004566	0.002049	0.001555	0.003110	0.001160	0.002419	0.000839
C14:1-OH/C12:1-DC	0.003480	0.036701	0.011032	0.021176	0.011724	0.017820	0.007849	0.012390	0.015031	0.014710	0.016314	0.013846	0.002641	0.024360	0.011329	0.007478	0.010786	0.014957	0.026483	0.004714
C14-OH/C12-DC	0.004245	0.012686	0.007009	0.006170	0.002764	0.004344	0.002147	0.006170	0.001950	0.005356	0.007009	0.004763	0.003603	0.012118	0.004418	0.002024	0.002073	0.003949	0.005455	0.001160
C16:3	0.000765	0.006019	0.003704	0.003201	0.004811	0.002758	0.000684	0.007226	0.005254	0.001953	0.004106	0.003402	0.000825	0.001691	0.002355	0.000986	0.000986	0.002375	0.007649	0.002456
C16:2	0.006019	0.055737	0.024054	0.016969	0.015781	0.019545	0.006099	0.037420	0.028281	0.007287	0.030334	0.015781	0.007327	0.012782	0.010004	0.009360	0.015238	0.007951	0.031059	0.003724
C16:1	0.029247	0.250082	0.116708	0.089956	0.087984	0.082911	0.036011	0.151008	0.121861	0.092694	0.121680	0.150847	0.049497	0.109099	0.100846	0.046377	0.092412	0.079449	0.168459	0.028482
C16	0.166104	2.188885	0.834930	1.223479	0.524521	0.964439	0.249962	0.717658	0.861339	0.796906	0.872249	0.741028	0.236193	0.951899	0.858078	0.380115	0.759949	0.697147	1.649247	0.136193
C16:3-OH/C14:3-DC	0.001469	0.003925	0.000966	0.000684	0.000705	0.001208	0.000443	0.000302	0.000624	0.002657	0.001268	0.000624	0.000242	0.001570	0.000785	0.000423	0.004509	0.001691	0.001208	0.000342
C16:2-OH/C14:2-DC	0.003140	0.024900	0.012762	0.007810	0.006139	0.006099	0.004126	0.008454	0.005052	0.006361	0.009662	0.007589	0.002114	0.005495	0.006844	0.002214	0.004066	0.005173	0.009159	0.002536
C16:1-OH/C14:1-DC	0.009702	0.060266	0.026369	0.028704	0.013386	0.019565	0.005093	0.015962	0.018881	0.018378	0.027919	0.020552	0.008655	0.035065	0.015862	0.006844	0.015278	0.021679	0.037098	0.004207
C16-OH/C14-DC	0.010749	0.067976	0.038466	0.036433	0.019565	0.024014	0.005576	0.025664	0.016667	0.026550	0.060608	0.026087	0.010729	0.067392	0.034461	0.012399	0.023752	0.016989	0.028442	0.003825
C18:3	0.008089	0.056867	0.024914	0.016388	0.013026	0.013184	0.007266	0.021973	0.026560	0.008176	0.012151	0.014549	0.004832	0.011363	0.008789	0.007774	0.017491	0.008947	0.021413	0.005217
C18:2	0.049899	0.654638	0.322154	0.154529	0.127391	0.113752	0.066304	0.220606	0.230498	0.076617	0.147403	0.109025	0.041722	0.089293	0.061349	0.048638	0.109602	0.101111	0.218645	0.037836
C18:1	0.108534	1.309714	0.659978	0.343357	0.236451	0.254974	0.149381	0.451261	0.400732	0.291847	0.464235	0.390839	0.136303	0.338542	0.336739	0.155212	0.283636	0.335268	0.563892	0.106679
C18	0.075811	0.668085	0.257321	0.251070	0.132433	0.153618	0.051177	0.157873	0.148541	0.244890	0.241178	0.167030	0.045399	0.249109	0.160517	0.072520	0.149346	0.227959	0.279714	0.033231
C18:3-OH/C16:3-DC	0.000718	0.005830	0.002154	0.002294	0.000000	0.001191	0.001348	0.002066	0.001891	0.001226	0.002311	0.002013	0.001261	0.003064	0.000298	0.001681	0.001751	0.001768	0.001926	0.000805
C18:2-OH/C16:2-DC	0.004062	0.044419	0.025807	0.012256	0.010698	0.009840	0.001891	0.011661	0.006723	0.006496	0.022708	0.006968	0.004850	0.019049		0.004237	0.007021	0.006268	0.009297	0.002031
C18:1-OH/C16:1-DC	0.007949	0.064081	0.044751	0.023409	0.011170	0.017281	0.003432	0.016283	0.009314	0.021693	0.053768	0.025125	0.007774	0.046502	0.018524	0.005743	0.011118	0.010873	0.018034	0.003081
C18-OH/C16-DC	0.008176	0.036628	0.024844	0.014865	0.012063	0.010785	0.003414	0.011591	0.006496	0.008614	0.027401	0.010610	0.001558	0.025615	0.012151	0.003659	0.008369	0.007651	0.011363	0.001418
C20:4	0.007704	0.043893	0.014217	0.020415	0.017789	0.009349	0.007564	0.024319	0.014339	0.005743	0.010558	0.007056	0.004430	0.006933	0.004745	0.007301	0.006601	0.005533	0.017438	0.005200
C20:3	0.002206	0.040759	0.015898	0.014497	0.007038	0.005638	0.003694	0.009087	0.008071	0.005690	0.011083	0.006338	0.003607	0.007669	0.005025	0.002644	0.006583	0.005515	0.010400	0.002906
C20:2	0.011958	0.181894	0.098064	0.037345	0.014707	0.021220	0.003729	0.018401	0.013254	0.025230	0.049549	0.015442	0.005147	0.023339	0.011608	0.002346	0.011976	0.009314	0.023811	0.002486
C20:1	0.024582	0.255902	0.136723	0.049251	0.023899	0.023164	0.011415	0.023899	0.020047	0.054504	0.075233	0.040514	0.012956	0.051947	0.038168	0.009192	0.017753	0.050337	0.055432	0.003834
C20	0.003222	0.057252	0.016703	0.015617	0.007949	0.005708	0.003869	0.005235	0.004832	0.012291	0.018646	0.009577	0.002504	0.011433	0.008474	0.002451	0.002714	0.007704	0.011853	0.001908
C20:3-OH/C18:3-DC	0.001191	0.003642	0.001908	0.002013	0.001051		0.000333	0.000980	0.000665	0.000770	0.001313	0.001331	0.000613	0.001383	0.001086	0.000893	0.000420		0.000420	0.000875
C20:2-OH/C18:2-DC	0.003187	0.013744	0.007616	0.004570	0.003642	0.002294	0.000998	0.001996	0.001558	0.003589	0.007739	0.001891	0.003852	0.004710	0.001558	0.001278	0.001803	0.001173	0.002294	0.000735
C20:1-OH/C18:1-DC	0.002083	0.022621	0.010715	0.003327	0.002714	0.002819	0.002416	0.003677	0.001681	0.002714	0.009577	0.003519	0.002521	0.006075	0.003116	0.000998	0.003362	0.001471	0.004500	0.000560
C20-OH/C18-DC/C22:6	0.005288	0.018471	0.005883	0.010295	0.006951	0.006968	0.003677	0.015495	0.024039	0.005288	0.011766	0.008947	0.001436	0.005813	0.004552	0.006023	0.015372	0.008527	0.046992	0.003187
C22:5	0.004167	0.041863	0.017351	0.032320	0.008632	0.012781	0.003519	0.011153	0.014112	0.003887	0.012904	0.006898	0.001191	0.006706	0.003099	0.003834	0.008579	0.004009	0.029712	0.001908
C22:4	0.001436	0.015723	0.007266	0.008071	0.003204	0.004290	0.002294	0.004290	0.003764	0.003659	0.003589	0.006531	0.001296	0.004097	0.001558	0.001173	0.001786	0.001768	0.003992	0.001278
C22:3	0.001891	0.009577	0.004360	0.002836	0.000735	0.000595	0.000665	0.000788	0.001261	0.000735	0.003099	0.001121	0.000980	0.000403	0.001471	0.000525	0.001103	0.001261	0.001576	
C22:2	0.000770	0.024599	0.008159	0.004412	0.000963	0.001138	0.000560	0.002206	0.001243	0.003362	0.005235	0.002189	0.000595	0.002521	0.001611	0.000700	0.001348	0.001821	0.000000	0.000718
C22:1	0.002294	0.014882	0.006636	0.003099		0.002976	0.002364	0.001821	0.002871	0.003292	0.005988	0.003029	0.000700	0.004202	0.003344	0.004009	0.003834	0.002434	0.003782	0.001313
C22	0.001015	0.004167	0.001156	0.000718	0.000735	0.000875	0.001138	0.000683	0.000473	0.000998	0.001873	0.000525	0.000350	0.000315	0.001996	0.000648	0.000245	0.000158	0.001471	
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