#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-06-17
#PROJECT
PR:PROJECT_TITLE    	SCFA Fecal Analysis
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	SCFA Fecal Analysis for Excercise and Antiobitic Experiments
PR:INSTITUTE        	University of Colorado Boulder
PR:DEPARTMENT       	Integrative Physiology
PR:LABORATORY       	Fleshner Lab
PR:LAST_NAME        	Fleshner
PR:FIRST_NAME       	Monika
PR:ADDRESS          	Boulder, CO
PR:EMAIL            	monika.fleshner@colorado.edu
PR:PHONE            	303-492-1483
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	Influence of excercise and antiobitic on fecal SCFA
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	Rats were given antibiotics or water and/or allowed to run or had their wheels locked.
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      	01/08/2016 01:40:16 PM
ST:NUM_GROUPS       	6
ST:TOTAL_SUBJECTS   	45
ST:STUDY_COMMENTS   	
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS            	SU0013707	S00020736	Activity:Run | Age:Adult | Treatment:n/a	
SUBJECT_SAMPLE_FACTORS            	SU0013708	S00020737	Activity:Run | Age:Adult | Treatment:n/a	
SUBJECT_SAMPLE_FACTORS            	SU0013709	S00020738	Activity:Run | Age:Adult | Treatment:n/a	
SUBJECT_SAMPLE_FACTORS            	SU0013710	S00020739	Activity:Run | Age:Adult | Treatment:n/a	
SUBJECT_SAMPLE_FACTORS            	SU0013711	S00020740	Activity:Run | Age:Adult | Treatment:n/a	
SUBJECT_SAMPLE_FACTORS            	SU0013712	S00020741	Activity:Run | Age:Adult | Treatment:n/a	
SUBJECT_SAMPLE_FACTORS            	SU0013713	S00020742	Activity:Sedentary | Age:Adult | Treatment:n/a	
SUBJECT_SAMPLE_FACTORS            	SU0013714	S00020743	Activity:Sedentary | Age:Adult | Treatment:n/a	
SUBJECT_SAMPLE_FACTORS            	SU0013715	S00020744	Activity:Sedentary | Age:Adult | Treatment:n/a	
SUBJECT_SAMPLE_FACTORS            	SU0013716	S00020745	Activity:Sedentary | Age:Adult | Treatment:n/a	
SUBJECT_SAMPLE_FACTORS            	SU0013717	S00020746	Activity:Sedentary | Age:Adult | Treatment:n/a	
SUBJECT_SAMPLE_FACTORS            	SU0013718	S00020747	Activity:Sedentary | Age:Adult | Treatment:n/a	
SUBJECT_SAMPLE_FACTORS            	SU0013719	S00020748	Activity:Sedentary | Age:Adult | Treatment:n/a	
SUBJECT_SAMPLE_FACTORS            	SU0013720	S00020749	Activity:Run | Age:n/a | Treatment:Antiobiotic	
SUBJECT_SAMPLE_FACTORS            	SU0013721	S00020750	Activity:Run | Age:n/a | Treatment:Antiobiotic	
SUBJECT_SAMPLE_FACTORS            	SU0013722	S00020751	Activity:Run | Age:n/a | Treatment:Antiobiotic	
SUBJECT_SAMPLE_FACTORS            	SU0013723	S00020752	Activity:Run | Age:n/a | Treatment:Antiobiotic	
SUBJECT_SAMPLE_FACTORS            	SU0013724	S00020753	Activity:Run | Age:n/a | Treatment:Antiobiotic	
SUBJECT_SAMPLE_FACTORS            	SU0013725	S00020754	Activity:Run | Age:n/a | Treatment:Antiobiotic	
SUBJECT_SAMPLE_FACTORS            	SU0013726	S00020755	Activity:Sedentary | Age:n/a | Treatment:Antiobiotic	
SUBJECT_SAMPLE_FACTORS            	SU0013727	S00020756	Activity:Sedentary | Age:n/a | Treatment:Antiobiotic	
SUBJECT_SAMPLE_FACTORS            	SU0013728	S00020757	Activity:Sedentary | Age:n/a | Treatment:Antiobiotic	
SUBJECT_SAMPLE_FACTORS            	SU0013729	S00020758	Activity:Sedentary | Age:n/a | Treatment:Antiobiotic	
SUBJECT_SAMPLE_FACTORS            	SU0013730	S00020759	Activity:Sedentary | Age:n/a | Treatment:Antiobiotic	
SUBJECT_SAMPLE_FACTORS            	SU0013731	S00020760	Activity:Sedentary | Age:n/a | Treatment:Antiobiotic	
SUBJECT_SAMPLE_FACTORS            	SU0013732	S00020761	Activity:Run | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013733	S00020762	Activity:Run | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013734	S00020763	Activity:Run | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013735	S00020764	Activity:Run | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013736	S00020765	Activity:Run | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013737	S00020766	Activity:Sedentary | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013738	S00020767	Activity:Sedentary | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013739	S00020768	Activity:Sedentary | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013740	S00020769	Activity:Sedentary | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013741	S00020770	Activity:Sedentary | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013742	S00020771	Activity:Run | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013743	S00020772	Activity:Run | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013744	S00020773	Activity:Run | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013745	S00020774	Activity:Run | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013746	S00020775	Activity:Run | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013747	S00020776	Activity:Sedentary | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013748	S00020777	Activity:Sedentary | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013749	S00020778	Activity:Sedentary | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013750	S00020779	Activity:Sedentary | Age:n/a | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0013751	S00020780	Activity:Sedentary | Age:n/a | Treatment:Water	
#SUBJECT
SU:SUBJECT_TYPE                   	RAT
SU:SUBJECT_SPECIES                	Rattus norvegicus
SU:TAXONOMY_ID                    	10116
#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_100-200C_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_100-200C_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	uM
MS_METABOLITE_DATA_START
Sample	S00020736	S00020737	S00020738	S00020739	S00020740	S00020741	S00020742	S00020743	S00020744	S00020745	S00020746	S00020747	S00020748	S00020749	S00020750	S00020751	S00020752	S00020753	S00020754	S00020755	S00020756	S00020757	S00020758	S00020759	S00020760	S00020761	S00020762	S00020763	S00020764	S00020765	S00020766	S00020767	S00020768	S00020769	S00020770	S00020771	S00020772	S00020773	S00020774	S00020775	S00020776	S00020777	S00020778	S00020779	S00020780
Factors	Activity:Run | Age:Adult | Treatment:n/a	Activity:Run | Age:Adult | Treatment:n/a	Activity:Run | Age:Adult | Treatment:n/a	Activity:Run | Age:Adult | Treatment:n/a	Activity:Run | Age:Adult | Treatment:n/a	Activity:Run | Age:Adult | Treatment:n/a	Activity:Sedentary | Age:Adult | Treatment:n/a	Activity:Sedentary | Age:Adult | Treatment:n/a	Activity:Sedentary | Age:Adult | Treatment:n/a	Activity:Sedentary | Age:Adult | Treatment:n/a	Activity:Sedentary | Age:Adult | Treatment:n/a	Activity:Sedentary | Age:Adult | Treatment:n/a	Activity:Sedentary | Age:Adult | Treatment:n/a	Activity:Run | Age:n/a | Treatment:Antiobiotic	Activity:Run | Age:n/a | Treatment:Antiobiotic	Activity:Run | Age:n/a | Treatment:Antiobiotic	Activity:Run | Age:n/a | Treatment:Antiobiotic	Activity:Run | Age:n/a | Treatment:Antiobiotic	Activity:Run | Age:n/a | Treatment:Antiobiotic	Activity:Sedentary | Age:n/a | Treatment:Antiobiotic	Activity:Sedentary | Age:n/a | Treatment:Antiobiotic	Activity:Sedentary | Age:n/a | Treatment:Antiobiotic	Activity:Sedentary | Age:n/a | Treatment:Antiobiotic	Activity:Sedentary | Age:n/a | Treatment:Antiobiotic	Activity:Sedentary | Age:n/a | Treatment:Antiobiotic	Activity:Run | Age:n/a | Treatment:Water	Activity:Run | Age:n/a | Treatment:Water	Activity:Run | Age:n/a | Treatment:Water	Activity:Run | Age:n/a | Treatment:Water	Activity:Run | Age:n/a | Treatment:Water	Activity:Sedentary | Age:n/a | Treatment:Water	Activity:Sedentary | Age:n/a | Treatment:Water	Activity:Sedentary | Age:n/a | Treatment:Water	Activity:Sedentary | Age:n/a | Treatment:Water	Activity:Sedentary | Age:n/a | Treatment:Water	Activity:Run | Age:n/a | Treatment:Water	Activity:Run | Age:n/a | Treatment:Water	Activity:Run | Age:n/a | Treatment:Water	Activity:Run | Age:n/a | Treatment:Water	Activity:Run | Age:n/a | Treatment:Water	Activity:Sedentary | Age:n/a | Treatment:Water	Activity:Sedentary | Age:n/a | Treatment:Water	Activity:Sedentary | Age:n/a | Treatment:Water	Activity:Sedentary | Age:n/a | Treatment:Water	Activity:Sedentary | Age:n/a | Treatment:Water
PROPIONIC ACID	6.464577459	8.186548675	865.973082	762.5866014	9.21924858	8.091435898	9.096209947	7.177494332	8.62976562	7.930020307	8.037684327	9.279291638	9.107754444	508.9363451	4.247815082	3.352819231	506.0175218	4.613651116	3.78219196	509.4104275	3.955202118	3.981798863	506.1719376	519.7380292	3.924434396	6.535604366	1298.322134	10.70648717	1238.159767	1084.213405	10.6228802	8.433573929	804.6864451	8.034097829	7.227799035	983.9984707	7.946260917	8.610824814	945.8600452	773.9115386	1089.995257	8.68067105	8.764786	1024.360217	1076.107142
ISOVALERIC ACID	2.23928905	2.332110954	306.218358	2.182019378	297.8944187	291.6962687	234.6792088	313.4292049	1.962604061	252.8983435	297.6791436	2.128993915	2.363676309	1.656997931	1.678867288	199.7125957	199.6187689	199.9014236	1.494045453	199.6383933	1.55977631	1.558075932	199.6109956	199.6579429	199.8115322	294.8583606	284.946974	2.06502995	1.754399911	260.736771	229.271193	1.889247906	2.016601741	250.232505	1.853321815	2.247249476	2.080061307	2.293417279	2.252933625	2.052358259	2.006187387	2.36438755	2.37506413	327.3737854	305.2379728
ACETIC ACID	4845.317744	52.22180825	5886.581008	5028.194797	66.33116945	44.90706153	56.69810631	8611.405609	58.77797893	64.18007698	7074.121767	72.00147579	69.81158325	475.6293609	3.133809965	410.4705787	413.2767481	941.0393832	386.0283637	476.8187173	2.97534056	4.507316925	3.210197895	4.197670264	530.283225	3967.382518	12419.99722	115.4851447	72.00366195	77.04548733	98.46244644	82.67264577	6212.013806	10987.71126	55.08733211	10681.49115	5119.304575	8753.971829	74.45122998	48.77398077	77.10325829	73.38083865	55.00459301	68.73016067	8347.038567
BUTYRIC ACID	11.01193256	8.864800594	1918.17204	852.4147317	17.88029183	1722.631064	10.18225056	16.64449794	6.975056043	2024.21362	21.99706446	3711.506377	1133.746909	430.1333896	426.0515917	425.3810028	425.2097963	426.3680728	3.187164796	3.033888984	3.388199372	3.317797186	3.341143661	3.060924194	3.245360443	9.3262202	20.40405342	2843.72867	12.10233134	23.02790493	1415.914561	10.50323609	1011.643331	647.600912	24.57815874	1488.747391	1083.863773	1246.8688	12.55824326	8.032638844	13.2071123	9.602341278	15.12110735	20.74723578	2126.750749
OCTANOIC ACID	.290231314	.135490652	42.52917905	20.94283536	.312668504	29.31095912	.109222167	.201195667	.142874569	39.82728091	.159321382	16.24662255	14.38038137	13.47125749	12.58619447	14.93065455	14.37960195	14.29695822	.101853376	.107416567	.111868717	.122443572	.123017248	.103136802	.119942372	.229558194	.173076799	18.64664636	.124918362	.165761067	17.78119651	.131036719	16.78166686	21.48048609	.197013837	35.16203175	16.70510455	23.45827026	.173648555	.14849288	.207993399	.212604576	.222285076	.331477612	39.72407387
VALERIC ACID	3.215197814	3.065624113	457.0316787	353.7566918	4.251847419	453.8537014	2.599955429	3.62857392	2.921296921	420.191513	3.846674215	443.2922596	356.0127928	267.0545732	266.414878	267.4318239	267.2547297	269.2180053	1.994046342	1.906620226	2.082519928	2.086500119	2.058210335	1.929345954	2.047428047	4.433217438	4.592751122	484.4016007	2.941399253	4.013286406	342.38492	2.998373381	315.3921992	406.8163687	3.080568513	521.0012786	334.9942392	447.7901766	3.720931804	2.956853422	3.368789626	3.786153523	3.485160733	4.353279299	465.1903149
HEPTANOIC ACID	.229603859	.196196713	32.68481338	.22662531	32.22563317	29.03706674	19.51825962	29.81545649	.198018662	29.08552218	24.87245294	.174810666	.191722449	.158980052	.159535895	19.30775036	19.14102299	19.20103941	.142097334	19.10347726	.14878179	.149071987	19.0975835	19.18479008	19.30462841	29.03667758	27.93609135	.187640496	.162640244	24.78421173	21.4418681	.165714648	.191477571	27.96037905	.194865835	.267219049	.195266743	.247651315	.222612092	.201727938	.21431252	.254016528	.242470807	35.52504372	31.98088115
HEXANOIC ACID	219.88882	1.040232901	2.039360109	189.2803445	296.7956967	226.3976796	83.71936538	2.32496836	141.6305847	2.798992838	1.807225194	1.810972026	113.5482811	63.04646137	.523872684	.454255442	66.78140622	.650946982	.460551445	66.87906107	.489252745	.520315881	65.73867873	70.15851008	.55032727	1.495291606	301.2253677	1.758391685	183.297957	264.2095109	1.470798247	1.07211226	123.3991507	1.618047999	2.455320403	2.239703173	1.210277434	1.727768807	1.673944479	1.208194933	2.076110232	1.639134009	2.08777719	411.1880039	361.2330472
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
