#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-06-17
#PROJECT
PR:PROJECT_TITLE    	Nudt7 mice
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	Determining the role of Nudt7 in liver metabolism
PR:INSTITUTE        	West Virginia University
PR:DEPARTMENT       	Biochemistry and Molecular Biology
PR:LABORATORY       	Leonardi Lab
PR:LAST_NAME        	Leonardi
PR:FIRST_NAME       	Roberta
PR:ADDRESS          	Morgantown, WV
PR:EMAIL            	roleonardi@hsc.wvu.edu
PR:PHONE            	304-293-7591
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	Acylcarnitine profile in fast-refed livers
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	The aim of this study is to determine whether changes in CoA degradation affect the composition of the acylcarntine pool in the liver. 7 wild-type and 7 Nudt7 knockout male mice (10-16 weeks of age) on a mixed background were fasted for 24h and allowed to refeed for 12-14hours before removing the liver. The liver samples were flash-frozen and stored at -80C until used.
ST:INSTITUTE        	University of Michigan
ST:DEPARTMENT       	Biomedical Research Core Facilities
ST:LABORATORY       	Metabolomics core
ST:LAST_NAME        	Kachman
ST:FIRST_NAME       	Maureen
ST:ADDRESS          	6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714
ST:EMAIL            	mkachman@med.umich.edu
ST:PHONE            	(734) 232-8175
ST:SUBMIT_DATE      	03/03/2017 08:47:09 AM
ST:NUM_GROUPS       	4
ST:TOTAL_SUBJECTS   	4
ST:STUDY_COMMENTS   	
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS            	SU0018569	S00028681	Hours after start of re-feeding:12h | Nudt7 Genotype:WT	
SUBJECT_SAMPLE_FACTORS            	SU0018569	S00028682	Hours after start of re-feeding:12h | Nudt7 Genotype:WT	
SUBJECT_SAMPLE_FACTORS            	SU0018570	S00028683	Hours after start of re-feeding:12h | Nudt7 Genotype:KO	
SUBJECT_SAMPLE_FACTORS            	SU0018570	S00028684	Hours after start of re-feeding:12h | Nudt7 Genotype:KO	
SUBJECT_SAMPLE_FACTORS            	SU0018571	S00028685	Hours after start of re-feeding:14h | Nudt7 Genotype:WT	
SUBJECT_SAMPLE_FACTORS            	SU0018571	S00028686	Hours after start of re-feeding:14h | Nudt7 Genotype:WT	
SUBJECT_SAMPLE_FACTORS            	SU0018571	S00028687	Hours after start of re-feeding:14h | Nudt7 Genotype:WT	
SUBJECT_SAMPLE_FACTORS            	SU0018571	S00028688	Hours after start of re-feeding:14h | Nudt7 Genotype:WT	
SUBJECT_SAMPLE_FACTORS            	SU0018571	S00028689	Hours after start of re-feeding:14h | Nudt7 Genotype:WT	
SUBJECT_SAMPLE_FACTORS            	SU0018572	S00028690	Hours after start of re-feeding:14h | Nudt7 Genotype:KO	
SUBJECT_SAMPLE_FACTORS            	SU0018572	S00028691	Hours after start of re-feeding:14h | Nudt7 Genotype:KO	
SUBJECT_SAMPLE_FACTORS            	SU0018572	S00028692	Hours after start of re-feeding:14h | Nudt7 Genotype:KO	
SUBJECT_SAMPLE_FACTORS            	SU0018572	S00028693	Hours after start of re-feeding:14h | Nudt7 Genotype:KO	
SUBJECT_SAMPLE_FACTORS            	SU0018572	S00028694	Hours after start of re-feeding:14h | Nudt7 Genotype:KO	
#SUBJECT
SU:SUBJECT_TYPE                   	MOUSE
SU:SUBJECT_SPECIES                	Mus musculus
SU:TAXONOMY_ID                    	10090
#COLLECTION
CO:COLLECTION_SUMMARY             	-
#TREATMENT
TR:TREATMENT_SUMMARY              	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY             	-
SP:SAMPLEPREP_PROTOCOL_FILENAME   	A008 - Acyl Carnitines.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE            	
CH:INSTRUMENT_NAME                	6490A QQQ LC/MS (Agilent)
CH:COLUMN_NAME                    	 ()
CH:METHODS_FILENAME               	QM-004-HSS_50mm_ACar+_MRM-Insert-gradtest3
#ANALYSIS
AN:ANALYSIS_TYPE                  	MRM
AN:INSTRUMENT_NAME                	6490A QQQ LC/MS (Agilent)
AN:ANALYSIS_PROTOCOL_FILE         	A008 - Acyl Carnitines.pdf
AN:ACQUISITION_PARAMETERS_FILE    	QM-004-HSS_50mm_ACar+_MRM-Insert-gradtest3
AN:PROCESSING_PARAMETERS_FILE     	-
#MS
MS:INSTRUMENT_TYPE                	QQQ
MS:MS_TYPE                        	
MS:ION_MODE                       	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	nmol/mg
MS_METABOLITE_DATA_START
Sample	S00028681	S00028682	S00028683	S00028684	S00028685	S00028686	S00028687	S00028688	S00028689	S00028690	S00028691	S00028692	S00028693	S00028694
Factors	Hours after start of re-feeding:12h | Nudt7 Genotype:WT	Hours after start of re-feeding:12h | Nudt7 Genotype:WT	Hours after start of re-feeding:12h | Nudt7 Genotype:KO	Hours after start of re-feeding:12h | Nudt7 Genotype:KO	Hours after start of re-feeding:14h | Nudt7 Genotype:WT	Hours after start of re-feeding:14h | Nudt7 Genotype:WT	Hours after start of re-feeding:14h | Nudt7 Genotype:WT	Hours after start of re-feeding:14h | Nudt7 Genotype:WT	Hours after start of re-feeding:14h | Nudt7 Genotype:WT	Hours after start of re-feeding:14h | Nudt7 Genotype:KO	Hours after start of re-feeding:14h | Nudt7 Genotype:KO	Hours after start of re-feeding:14h | Nudt7 Genotype:KO	Hours after start of re-feeding:14h | Nudt7 Genotype:KO	Hours after start of re-feeding:14h | Nudt7 Genotype:KO
ACETYL-DL-CARNITINE	.002237487	.001736013	.00256923	.001543589	.006054311	.004663026	.003489493	.002189554	.003159252	.001957245	.007052435	.001122258	.008998991	.005922299
DECANOYLCARNITINE	.0000101584	.0000152168	.00000930903	.0000179417	.0000329152	.0000215931	.00000916665	.0000147602	.00000750283	.00000672813	.000022874	.0000046147	.0000199042	.00000955747
LAUROYLCARNITINE	.00000820357	.00000837424	.00000785503	.0000211224	.0000264528	.0000171781	.00000682682	.0000156254	.00000799627	.0000095389	.0000135688	.0000034364	.0000158758	.00000983973
PROPIONYLCARNITINE	.002019031	.001295041	.002519342	.003512538	.003998262	.00428888	.002606064	.004451255	.002002217	.003227772	.003510161	.002755696	.003477251	.003194251
L-PALMITOYLCARNITINE	.000220007	.000216925	.000274705	.000623216	.000337122	.000370152	.00014502	.000640163	.000227717	.000180165	.00023019	.00010942	.000305257	.000274626
O-OCTANOYLCARNITINE	.0000101489	.0000126115	.00000732732	.000014268	.0000311081	.0000133384	.00000989519	.0000122053	.00000483641	.00000488427	.000020989	.00000345967	.0000143997	.00000623553
BUTYRYLCARNITINE	.00018536	.000384368	.000238362	.0003494	.000904588	.000234407	.000439155	.000356715	.000319814	.000322428	.000895438	.000180809	.000587677	.000602234
DL-CARNITINE	.360253504	.329508488	.362617007	.339893899	.331357431	.308945065	.380018397	.404036512	.299714478	.385283931	.408845018	.303405994	.40722338	.493574937
AC1MIY4G	.0000301265	.0000496141	.0000174434	.0000351269	.00012098	.0000338798	.0000523168	.0000404136	.0000147786	.0000130088	.0000826129	.00000958144	.0000344477	.0000169156
ARACHIDONYL CARNITINE	.000213776	.000207597	.000190057	.000244328	.000177692	.000193495	.000193903	.000289475	.000161799	.000237555	.000215878	.0000828552	.00025702	.000262462
LINOELAIDYL CARNITINE	.000160683	.00017374	.000193438	.000455194	.000391057	.000268528	.000126167	.000689603	.000206864	.00017802	.000236881	.0000845181	.000316633	.000297865
18:3 CARNITINE	.0000119036	.0000139205	.0000133555	.0000158656	.0000137591	.0000152164	.0000111321	.0000232776	.0000114265	.0000110639	.0000130535	.00000580934	.0000150926	.0000196432
CIS-4-DECENOYL CARNITINE	.00000435825	.00000769343	.0000221069	.0000167274	.0000164735	.0000115163	.00000615067	.0000152523	.00000836204	.00000565891	.000010921	.00000407819	.000012428	.0000103347
ISOVALERYLCARNITINE	.000211726	.000475479	.000313896	.000228115	.00072242	.000270209	.000450523	.000393584	.000308812	.000294009	.000645967	.000304847	.0004097	.000460618
MYRISTOYLCARNITINE	.0000358465	.0000341926	.0000367826	.000113487	.000100621	.000055911	.0000301858	.0000893871	.0000409378	.0000402422	.000050884	.0000193887	.0000638499	.0000442314
OLEOYLCARNITINE	.000197735	.000285799	.000234235	.000402243	.000338478	.000355569	.000182976	.000528166	.000166569	.00014692	.000390991	.00012214	.000364779	.000288478
GLUTARYLCARNITINE	.0000238701	.0000674134	.0000340388	.0000311715	.000039522	.0000281891	.0000537461	.0000397258	.0000370419	.0000379598	.0000560524	.0000234979	.0000444084	.0000504688
(11Z,14Z)-ICOSADIENOYLCARNITINE	.000000493228	.000000482049	.000000573612	.000000505859	.000000379452	.000000251973	.000000307309	.000000291499	.000000375793	.00000057392	.000000270751	.000000434404	.000000445535	.000000170414
3-HYDROXYLAUROYLCARNITINE	.0000108104	.0000196768	.0000190604	.0000324192	.0000933145	.0000675079	.0000148376	.0000287581	.0000243597	.0000103331	.0000467722	.0000102371	.0000663371	.000031673
3-HYDROXYMYRISTOYLCARNITINE	.000013379	.0000243858	.0000310375	.0000540207	.000181942	.0000805898	.0000226426	.0000443562	.000036451	.0000138207	.0000644741	.0000150881	.000103116	.0000376592
3-HYDROXYPALMITOYLCARNITINE	.0000796823	.000168755	.000210688	.000291762	.000666798	.000306806	.0000873898	.000428227	.000238017	.0000788874	.000231819	.000070728	.000437474	.000235043
3-HYDROXYLINOLEYLCARNITINE	.0000639944	.000202781	.000176178	.000261487	.000748142	.000314716	.000104314	.000322034	.00016469	.0000603774	.000335434	.0000842391	.000438382	.000229297
16:1 CARNITINE	.0000938649	.0000998522	.0000727527	.000132582	.000187942	.00016522	.0000695394	.00017386	.0000716986	.0000570721	.00009714	.0000428202	.000125514	.0000934193
8:1 CARNITINE	.00000187118	.00000372209	.00000289743	.00000552869	.00000517865	.00000289619	.00000227622	.0000075059	.00000394353	.00000245094	.00000314617	.00000206978	.0000037987	.00000417299
14:2 CARNITINE	.00000322391	.00000245955	.00000594824	.0000250797	.000021003	.00000927163	.00000294834	.0000206777	.00000626429	.00000535992	.00000677457	.00000203143	.00000817579	.00000574149
12:1 CARNITINE	.00000407901	.00000292612	.00000285103	.00000998228	.0000152813	.00000752055	.00000317218	.00000870853	.0000040329	.00000320779	.0000065594	.00000176023	.00000886065	.00000504263
14:1 CARNITINE	.0000146558	.0000105535	.00000927238	.0000365682	.0000564611	.0000336071	.0000104545	.0000320769	.0000121622	.0000123314	.0000219502	.00000567499	.0000241342	.0000144242
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
ACETYL-DL-CARNITINE				1				
DECANOYLCARNITINE				10245190				
LAUROYLCARNITINE				10427569				
PROPIONYLCARNITINE				107738				
L-PALMITOYLCARNITINE				11953816				
O-OCTANOYLCARNITINE				123701				
BUTYRYLCARNITINE				213144				
DL-CARNITINE				288				
AC1MIY4G				3082079				
ARACHIDONYL CARNITINE				53477832				
LINOELAIDYL CARNITINE				53477834				
18:3 CARNITINE				54500892				
CIS-4-DECENOYL CARNITINE				57357170				
ISOVALERYLCARNITINE				6426851				
MYRISTOYLCARNITINE				6426854				
OLEOYLCARNITINE				6441392				
GLUTARYLCARNITINE				71317118				
(11Z,14Z)-ICOSADIENOYLCARNITINE				71464509				
3-HYDROXYLAUROYLCARNITINE				71464535				
3-HYDROXYMYRISTOYLCARNITINE				71464541				
3-HYDROXYPALMITOYLCARNITINE				71464553				
3-HYDROXYLINOLEYLCARNITINE				71464556				
16:1 CARNITINE				76040365				
8:1 CARNITINE				77908888				
14:2 CARNITINE				87087940				
12:1 CARNITINE				87087953				
14:1 CARNITINE				87088002				
METABOLITES_END
