#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-06-17
#PROJECT
PR:PROJECT_TITLE    	Bariatric Surgery and Breast Cancer
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	Measure Short chain Fatty Acids in colon
PR:INSTITUTE        	University of Michigan
PR:DEPARTMENT       	Surgery
PR:LABORATORY       	Seeley Lab
PR:LAST_NAME        	Seeley
PR:FIRST_NAME       	Randy
PR:ADDRESS          	Ann Arbor, MI
PR:EMAIL            	seeleyrj@umich.edu
PR:PHONE            	734-615-2880
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	Bariatric surgery and breast cancer
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	This is a double blind study, to measure short chain fatty acids in colons of mouse that have gone through bariatric surgery and the mouse that have gone through sham surgery (as control group). We would like to get a ratio of different types of fatty acids in the colons of these animals. This project looks at the effects of bariatric surgery on short chain fatty acids produced by microbiota ultimately the effects on the growth and suppression of breast cancer.
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      	11/04/2015 01:50:21 PM
ST:NUM_GROUPS       	2
ST:TOTAL_SUBJECTS   	27
ST:STUDY_COMMENTS   	
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS            	SU0013476	S00020243	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013477	S00020244	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013478	S00020245	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013479	S00020246	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013480	S00020247	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013481	S00020248	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013482	S00020249	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013483	S00020250	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013484	S00020251	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013485	S00020252	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013486	S00020253	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013487	S00020254	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013488	S00020255	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013489	S00020256	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013490	S00020257	Treatment:Sham	
SUBJECT_SAMPLE_FACTORS            	SU0013491	S00020258	Treatment:VSG	
SUBJECT_SAMPLE_FACTORS            	SU0013492	S00020259	Treatment:VSG	
SUBJECT_SAMPLE_FACTORS            	SU0013493	S00020260	Treatment:VSG	
SUBJECT_SAMPLE_FACTORS            	SU0013494	S00020261	Treatment:VSG	
SUBJECT_SAMPLE_FACTORS            	SU0013495	S00020262	Treatment:VSG	
SUBJECT_SAMPLE_FACTORS            	SU0013496	S00020263	Treatment:VSG	
SUBJECT_SAMPLE_FACTORS            	SU0013497	S00020264	Treatment:VSG	
SUBJECT_SAMPLE_FACTORS            	SU0013498	S00020265	Treatment:VSG	
SUBJECT_SAMPLE_FACTORS            	SU0013499	S00020266	Treatment:VSG	
SUBJECT_SAMPLE_FACTORS            	SU0013500	S00020267	Treatment:VSG	
SUBJECT_SAMPLE_FACTORS            	SU0013501	S00020268	Treatment:VSG	
SUBJECT_SAMPLE_FACTORS            	SU0013502	S00020269	Treatment:VSG	
#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   	A007 - Short Chain Fatty Acids.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE            	
CH:INSTRUMENT_NAME                	GC_7890N MS_5975 (Agilent)
CH:COLUMN_NAME                    	 ()
CH:METHODS_FILENAME               	WAXPLUS_100-250C_3_SPLIT10-1_SIM.M
#ANALYSIS
AN:ANALYSIS_TYPE                  	MS
AN:INSTRUMENT_NAME                	GC_7890N MS_5975 (Agilent)
AN:ANALYSIS_PROTOCOL_FILE         	A007 - Short Chain Fatty Acids.pdf
AN:ACQUISITION_PARAMETERS_FILE    	WAXPLUS_100-250C_3_SPLIT10-1_SIM.M
AN:PROCESSING_PARAMETERS_FILE     	-
#MS
MS:INSTRUMENT_TYPE                	Q
MS:MS_TYPE                        	EI
MS:ION_MODE                       	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmol/mg
MS_METABOLITE_DATA_START
Sample	S00020243	S00020244	S00020245	S00020246	S00020247	S00020248	S00020249	S00020250	S00020251	S00020252	S00020253	S00020254	S00020255	S00020256	S00020257	S00020258	S00020259	S00020260	S00020261	S00020262	S00020263	S00020264	S00020265	S00020266	S00020267	S00020268	S00020269
Factors	Treatment:Sham	Treatment:Sham	Treatment:Sham	Treatment:Sham	Treatment:Sham	Treatment:Sham	Treatment:Sham	Treatment:Sham	Treatment:Sham	Treatment:Sham	Treatment:Sham	Treatment:Sham	Treatment:Sham	Treatment:Sham	Treatment:Sham	Treatment:VSG	Treatment:VSG	Treatment:VSG	Treatment:VSG	Treatment:VSG	Treatment:VSG	Treatment:VSG	Treatment:VSG	Treatment:VSG	Treatment:VSG	Treatment:VSG	Treatment:VSG
PROPIONIC ACID	503.3478276	523.8848713	707.9677146	363.0752187	178.5520613	483.8878378	452.9515836	267.5304407	269.7836212	651.045547	305.9988966	308.6117323	545.4309088	476.8557325	162.9505447	741.1540362	249.7651507	1147.515742	513.6404655	566.1160604	672.3480898	432.856912	418.0348445	265.5052942	947.068355	312.0848175	1274.110248
ISOVALERIC ACID	46.81503202	30.77317655	30.54546003	16.18716407	12.15919918	43.06839876	33.59880108	17.00783442	17.90537551	47.62643997	23.14205556	14.45655072	43.17985218	40.04165474	11.41821079	38.46445531	23.43245066	56.70890005	32.41353056	27.5558732	49.2557918	41.27887872	20.90261302	23.76344822	64.00054567	33.7691255	59.81843856
ACETIC ACID	4213.710804	5003.468344	6035.887104	2694.283822	1172.681607	3663.860009	2968.787782	1933.217247	2692.972177	4876.610373	1607.648566	1736.859148	7822.820628	4600.185427	2127.141704	4430.971642	1596.9157	3178.432703	2856.572447	3242.189138	4179.838412	2186.781859	2759.458294	2013.829649	6845.078594	3177.046879	4911.362656
BUTYRIC ACID	730.1929011	644.5319385	1257.98545	367.7634653	142.105403	743.2932485	379.3382974	242.8659168	393.078962	939.402578	206.1531233	155.7370107	1680.549574	874.4044111	262.3356427	499.8765221	228.2306963	479.0903963	435.9336884	351.5364466	951.0576194	439.6376455	546.664613	360.0469119	1592.632689	462.4210849	1325.933319
OCTANOIC ACID	1.758823766	.63928333	1.354613115	.354870639	.585897003	.847607891	.904127837	1.763512716	.857056182	.751140775	.327017114	.849846436	.681739754	1.115710837	.81544166	.86047552	.702023221	.525199116	.550991088	.758767324	1.287185335	.61723384	.770408755	1.052415876	.575046692	.567776369	.82839699
VALERIC ACID	81.34042051	79.36987306	101.2571199	24.62546315	14.79346484	54.81490143	44.407589	25.52441261	37.05711003	106.1646897	26.96538802	30.54091659	130.6975366	79.0554352	26.04023367	54.93863562	38.9647534	75.53039801	46.51255281	39.46273141	74.11545253	51.23476094	29.00073309	24.17581898	138.7837902	43.46951123	104.9057065
HEPTANOIC ACID	2.636469192	1.320231698	2.247030866	1.245057248	1.149596671	1.128672924	.789825574	1.284240158	1.167791324	1.072710322	.743233006	1.117656524	1.089760216	.796447652	.934342984	1.482016585	.595915301	.840532808	.679608409	1.64371542	2.069080877	1.429694024	.766420779	.973878715	1.143880033	.98126408	.824841565
HEXANOIC ACID	24.82610778	16.47013886	25.60117163	13.23405051	15.97992364	28.74611778	17.38176286	18.2343796	30.32713313	17.11523985	9.746530945	15.56141154	31.29252873	43.3288922	10.27826067	20.66935498	9.11040133	13.06264408	19.96977625	20.84449812	39.67363463	24.32931373	26.83108631	51.53610874	26.47386231	28.63696855	23.18615467
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
PROPIONIC ACID				1032				
ISOVALERIC ACID				10430				
ACETIC ACID				176				
BUTYRIC ACID				264				
OCTANOIC ACID				379				
VALERIC ACID				7991				
HEPTANOIC ACID				8094				
HEXANOIC ACID				8892				
METABOLITES_END
