#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-08-02
#PROJECT
PR:PROJECT_TITLE    	Obesity and marrow and MAT metabolomics Studies
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	MAT and bone marrow collected to evaluate lipid content/lipid type.  In addition, marrow evaluations for glycolysis/TCA cycle and acylcarnitines will be performed.
PR:INSTITUTE        	University of Michigan
PR:DEPARTMENT       	Pedatric Endocrinology
PR:LABORATORY       	Singer Lab
PR:LAST_NAME        	Singer
PR:FIRST_NAME       	Kanakadurga
PR:ADDRESS          	Ann Arbor, MI
PR:EMAIL            	ksinger@umich.edu
PR:PHONE            	734-764-5175
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	Obesity and marrow and marrow adipose tissue (MAT) metabolomics
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	Male C57Bl6j mice were fed HFD for 16-20 weeks and marrow adipose tissue (MAT) and bone marrow collected to evaluate lipid content/lipid type. In addition, marrow evaluations for glycolysis/TCA cycle and acylcarnitines will be performed.
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      	02/16/2017 03:23:43 PM
ST:NUM_GROUPS       	4
ST:TOTAL_SUBJECTS   	6
ST:STUDY_COMMENTS   	
#SUBJECT
SU:SUBJECT_TYPE                   	MOUSE
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            	SU0018085	S00028167	Diet:ND | Sample type:Adipose Tissue	
SUBJECT_SAMPLE_FACTORS            	SU0018086	S00028168	Diet:ND | Sample type:Adipose Tissue	
SUBJECT_SAMPLE_FACTORS            	SU0018087	S00028169	Diet:ND | Sample type:Adipose Tissue	
SUBJECT_SAMPLE_FACTORS            	SU0018088	S00028170	Diet:HFD | Sample type:Adipose Tissue	
SUBJECT_SAMPLE_FACTORS            	SU0018089	S00028171	Diet:HFD | Sample type:Adipose Tissue	
SUBJECT_SAMPLE_FACTORS            	SU0018090	S00028172	Diet:HFD | Sample type:Adipose Tissue	
SUBJECT_SAMPLE_FACTORS            	SU0018085	S00028173	Diet:ND | Sample type:Bone Marrow	
SUBJECT_SAMPLE_FACTORS            	SU0018086	S00028174	Diet:ND | Sample type:Bone Marrow	
SUBJECT_SAMPLE_FACTORS            	SU0018087	S00028175	Diet:ND | Sample type:Bone Marrow	
SUBJECT_SAMPLE_FACTORS            	SU0018088	S00028176	Diet:HFD | Sample type:Bone Marrow	
SUBJECT_SAMPLE_FACTORS            	SU0018089	S00028177	Diet:HFD | Sample type:Bone Marrow	
SUBJECT_SAMPLE_FACTORS            	SU0018090	S00028178	Diet:HFD | Sample type:Bone Marrow	
#COLLECTION
CO:COLLECTION_SUMMARY             	-
#TREATMENT
TR:TREATMENT_SUMMARY              	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY             	-
SP:SAMPLEPREP_PROTOCOL_FILENAME   	A008 - Acyl Carnitines.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE            	C18
CH:INSTRUMENT_NAME                	6490A QQQ LC/MS (Agilent)
CH:COLUMN_NAME                    	ACQUITY UPLC HSS T3, 100A, 1.8mkm, 2.1mm X 50mm (Waters Corporation)
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                        	ESI
MS:ION_MODE                       	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	uM
MS_METABOLITE_DATA_START
Sample	S00028173	S00028174	S00028175	S00028176	S00028177	S00028178
Factors	Diet:ND | Sample type:Bone Marrow	Diet:ND | Sample type:Bone Marrow	Diet:ND | Sample type:Bone Marrow	Diet:HFD | Sample type:Bone Marrow	Diet:HFD | Sample type:Bone Marrow	Diet:HFD | Sample type:Bone Marrow
ACETYL-DL-CARNITINE	2.617587629	2.366129447	3.932355554	3.385854692	3.368573132	2.826828447
DECANOYLCARNITINE	.003120276	.003134043	.004988492	.007888528	.008641933	.006227385
LAUROYLCARNITINE	.010178748	.008716606	.011862037	.017448186	.017930409	.013095703
PROPIONYLCARNITINE	.574179022	.393756096	.773290471	.603598169	.468154316	.327936557
L-PALMITOYLCARNITINE	1.040042758	.953084605	1.466614966	1.304384654	1.246244341	1.124786679
O-OCTANOYLCARNITINE	.003345912	.002683524	.003953402	.006790042	.007924983	.005490354
BUTYRYLCARNITINE	.170839748	.131013211	.219106914	.251036456	.27601018	.207004786
DL-CARNITINE	18.97298784	16.10546605	23.70815582	30.53023725	26.16806711	21.93564217
AC1MIY4G	.048296266	.031647112	.036256988	.078118539	.065277801	.051786207
ARACHIDONYL CARNITINE	.015967081	.013932509	.018808398	.040054642	.040279638	.031538205
LINOELAIDYL CARNITINE	.069635233	.061573999	.087175219	.094809573	.090983847	.0803107
18:3 CARNITINE	.005502427	.004602081	.006641747	.006608155	.007825748	.005580467
CIS-4-DECENOYL CARNITINE	.001134437	.000786245	.001002725	.002391534	.002049489	.001607993
ISOVALERYLCARNITINE	.054846724	.043896945	.071195469	.135932149	.176741207	.094831225
MYRISTOYLCARNITINE	.146793066	.136523451	.182005125	.176117853	.165735046	.135898904
OLEOYLCARNITINE	.401028911	.381109278	.512141994	.571891531	.536854588	.428065248
GLUTARYLCARNITINE	.048288153	.041427163	.052358271	.071808094	.07851578	.060419238
3-HYDROXYLAUROYLCARNITINE	.028330219	.023915653	.033418936	.042067107	.036095193	.028339082
3-HYDROXYMYRISTOYLCARNITINE	.048480453	.043385551	.066417795	.072370925	.068469389	.057786238
3-HYDROXYPALMITOYLCARNITINE	.134710147	.106075839	.183682182	.228292461	.214198846	.185891878
3-HYDROXYLINOLEYLCARNITINE	.068212881	.055489851	.087530019	.124826798	.11274007	.100834056
16:1 CARNITINE	.082143363	.084540849	.113158662	.110403289	.105039671	.088205324
8:1 CARNITINE	.001012211	.000740456	.001074	.003859111	.004007355	.003010326
14:2 CARNITINE	.001188135	.000912889	.00135654	.002923463	.002520837	.00210256
12:1 CARNITINE	.000867518	.000852069	.001235516	.00227291	.002036183	.001662023
14:1 CARNITINE	.010597757	.009976649	.012602283	.019903137	.01972405	.015658714
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				
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
