#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-06-17
#PROJECT
PR:PROJECT_TITLE    	U of M FMT study
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	Microbial changes following fecal microbiota transplantation in patients with recurrent Clostridium difficile infection
PR:INSTITUTE        	University of Michigan
PR:DEPARTMENT       	Internal Medicine
PR:LABORATORY       	Young Lab
PR:LAST_NAME        	Young
PR:FIRST_NAME       	Vincent
PR:ADDRESS          	Ann Arbor, MI
PR:EMAIL            	youngvi@med.umich.edu
PR:PHONE            	734-764-2237
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	Microbial changes following fecal microbiota transplantation in patients with recurrent C. difficile infection
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	Fecal samples were collected from patients with recurrent Clostridium difficile infection before and after treatment with fecal microbiota transplantation. Fecal samples were frozen immediately after collections, and later put into ~50mg aliquots for later analysis (at -80 C).
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      	06/14/2016 02:56:37 PM
ST:NUM_GROUPS       	21
ST:TOTAL_SUBJECTS   	11
ST:STUDY_COMMENTS   	
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS            	SU0014864	S00022742	patient type:recipient | patientID:R1 | sample type:pre | sample_n:1	
SUBJECT_SAMPLE_FACTORS            	SU0014864	S00022743	patient type:recipient | patientID:R1 | sample type:pre | sample_n:2	
SUBJECT_SAMPLE_FACTORS            	SU0014864	S00022744	patient type:recipient | patientID:R1 | sample type:post | sample_n:3	
SUBJECT_SAMPLE_FACTORS            	SU0014864	S00022745	patient type:recipient | patientID:R1 | sample type:post | sample_n:4	
SUBJECT_SAMPLE_FACTORS            	SU0014864	S00022746	patient type:recipient | patientID:R1 | sample type:post | sample_n:5	
SUBJECT_SAMPLE_FACTORS            	SU0014864	S00022747	patient type:recipient | patientID:R1 | sample type:post | sample_n:6.0	
SUBJECT_SAMPLE_FACTORS            	SU0014865	S00022748	patient type:donor | patientID:d1 | sample type:donor | sample_n:1	
SUBJECT_SAMPLE_FACTORS            	SU0014865	S00022749	patient type:donor | patientID:d1 | sample type:donor | sample_n:2	
SUBJECT_SAMPLE_FACTORS            	SU0014866	S00022750	patient type:recipient | patientID:R2 | sample type:pre | sample_n:1	
SUBJECT_SAMPLE_FACTORS            	SU0014866	S00022751	patient type:recipient | patientID:R2 | sample type:pre | sample_n:2	
SUBJECT_SAMPLE_FACTORS            	SU0014866	S00022752	patient type:recipient | patientID:R2 | sample type:post | sample_n:3	
SUBJECT_SAMPLE_FACTORS            	SU0014866	S00022753	patient type:recipient | patientID:R2 | sample type:post | sample_n:4	
SUBJECT_SAMPLE_FACTORS            	SU0014866	S00022754	patient type:recipient | patientID:R2 | sample type:post | sample_n:5	
SUBJECT_SAMPLE_FACTORS            	SU0014866	S00022755	patient type:recipient | patientID:R2 | sample type:post | sample_n:6.0	
SUBJECT_SAMPLE_FACTORS            	SU0014867	S00022756	patient type:donor | patientID:d2 | sample type:donor | sample_n:1	
SUBJECT_SAMPLE_FACTORS            	SU0014867	S00022757	patient type:donor | patientID:d2 | sample type:donor | sample_n:2	
SUBJECT_SAMPLE_FACTORS            	SU0014868	S00022758	patient type:recipient | patientID:R3 | sample type:pre | sample_n:1	
SUBJECT_SAMPLE_FACTORS            	SU0014868	S00022759	patient type:recipient | patientID:R3 | sample type:pre | sample_n:2	
SUBJECT_SAMPLE_FACTORS            	SU0014868	S00022760	patient type:recipient | patientID:R3 | sample type:post | sample_n:4	
SUBJECT_SAMPLE_FACTORS            	SU0014868	S00022761	patient type:recipient | patientID:R3 | sample type:post | sample_n:5	
SUBJECT_SAMPLE_FACTORS            	SU0014868	S00022762	patient type:recipient | patientID:R3 | sample type:post | sample_n:6.0	
SUBJECT_SAMPLE_FACTORS            	SU0014869	S00022763	patient type:donor | patientID:d3 | sample type:donor | sample_n:1	
SUBJECT_SAMPLE_FACTORS            	SU0014869	S00022764	patient type:donor | patientID:d3 | sample type:donor | sample_n:2	
SUBJECT_SAMPLE_FACTORS            	SU0014870	S00022765	patient type:recipient | patientID:R4 | sample type:pre | sample_n:1	
SUBJECT_SAMPLE_FACTORS            	SU0014870	S00022766	patient type:recipient | patientID:R4 | sample type:pre | sample_n:2	
SUBJECT_SAMPLE_FACTORS            	SU0014870	S00022767	patient type:recipient | patientID:R4 | sample type:post | sample_n:3	
SUBJECT_SAMPLE_FACTORS            	SU0014870	S00022768	patient type:recipient | patientID:R4 | sample type:post | sample_n:4	
SUBJECT_SAMPLE_FACTORS            	SU0014870	S00022769	patient type:recipient | patientID:R4 | sample type:post | sample_n:5	
SUBJECT_SAMPLE_FACTORS            	SU0014870	S00022770	patient type:recipient | patientID:R4 | sample type:post | sample_n:6.0	
SUBJECT_SAMPLE_FACTORS            	SU0014871	S00022771	patient type:donor | patientID:d4 | sample type:donor | sample_n:1	
SUBJECT_SAMPLE_FACTORS            	SU0014871	S00022772	patient type:donor | patientID:d4 | sample type:donor | sample_n:2	
SUBJECT_SAMPLE_FACTORS            	SU0014872	S00022773	patient type:recipient | patientID:R5 | sample type:pre | sample_n:2	
SUBJECT_SAMPLE_FACTORS            	SU0014872	S00022774	patient type:recipient | patientID:R5 | sample type:post | sample_n:3	
SUBJECT_SAMPLE_FACTORS            	SU0014872	S00022775	patient type:recipient | patientID:R5 | sample type:post | sample_n:4	
SUBJECT_SAMPLE_FACTORS            	SU0014872	S00022776	patient type:recipient | patientID:R5 | sample type:post | sample_n:5	
SUBJECT_SAMPLE_FACTORS            	SU0014872	S00022777	patient type:recipient | patientID:R5 | sample type:post | sample_n:6.0	
SUBJECT_SAMPLE_FACTORS            	SU0014873	S00022778	patient type:donor | patientID:d5 | sample type:donor | sample_n:1	
SUBJECT_SAMPLE_FACTORS            	SU0014873	S00022779	patient type:donor | patientID:d5 | sample type:donor | sample_n:2	
SUBJECT_SAMPLE_FACTORS            	SU0014874	S00022780	patient type:recipient | patientID:R6 | sample type:pre | sample_n:1	
SUBJECT_SAMPLE_FACTORS            	SU0014874	S00022781	patient type:recipient | patientID:R6 | sample type:pre | sample_n:2	
SUBJECT_SAMPLE_FACTORS            	SU0014874	S00022782	patient type:recipient | patientID:R6 | sample type:post | sample_n:3	
SUBJECT_SAMPLE_FACTORS            	SU0014874	S00022783	patient type:recipient | patientID:R6 | sample type:post | sample_n:4	
SUBJECT_SAMPLE_FACTORS            	SU0014874	S00022784	patient type:recipient | patientID:R6 | sample type:post | sample_n:5	
SUBJECT_SAMPLE_FACTORS            	SU0014874	S00022785	patient type:recipient | patientID:R6 | sample type:post | sample_n:6.0	
#SUBJECT
SU:SUBJECT_TYPE                   	HUMAN
SU:SUBJECT_SPECIES                	Homo sapiens
SU:TAXONOMY_ID                    	9606
#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	nmol/mg
MS_METABOLITE_DATA_START
Sample	S00022742	S00022743	S00022744	S00022745	S00022746	S00022747	S00022748	S00022749	S00022750	S00022751	S00022752	S00022753	S00022754	S00022755	S00022756	S00022757	S00022758	S00022759	S00022760	S00022761	S00022762	S00022763	S00022764	S00022765	S00022766	S00022767	S00022768	S00022769	S00022770	S00022771	S00022772	S00022773	S00022774	S00022775	S00022776	S00022777	S00022778	S00022779	S00022780	S00022781	S00022782	S00022783	S00022784	S00022785
Factors	patient type:recipient | patientID:R1 | sample type:pre | sample_n:1	patient type:recipient | patientID:R1 | sample type:pre | sample_n:2	patient type:recipient | patientID:R1 | sample type:post | sample_n:3	patient type:recipient | patientID:R1 | sample type:post | sample_n:4	patient type:recipient | patientID:R1 | sample type:post | sample_n:5	patient type:recipient | patientID:R1 | sample type:post | sample_n:6.0	patient type:donor | patientID:d1 | sample type:donor | sample_n:1	patient type:donor | patientID:d1 | sample type:donor | sample_n:2	patient type:recipient | patientID:R2 | sample type:pre | sample_n:1	patient type:recipient | patientID:R2 | sample type:pre | sample_n:2	patient type:recipient | patientID:R2 | sample type:post | sample_n:3	patient type:recipient | patientID:R2 | sample type:post | sample_n:4	patient type:recipient | patientID:R2 | sample type:post | sample_n:5	patient type:recipient | patientID:R2 | sample type:post | sample_n:6.0	patient type:donor | patientID:d2 | sample type:donor | sample_n:1	patient type:donor | patientID:d2 | sample type:donor | sample_n:2	patient type:recipient | patientID:R3 | sample type:pre | sample_n:1	patient type:recipient | patientID:R3 | sample type:pre | sample_n:2	patient type:recipient | patientID:R3 | sample type:post | sample_n:4	patient type:recipient | patientID:R3 | sample type:post | sample_n:5	patient type:recipient | patientID:R3 | sample type:post | sample_n:6.0	patient type:donor | patientID:d3 | sample type:donor | sample_n:1	patient type:donor | patientID:d3 | sample type:donor | sample_n:2	patient type:recipient | patientID:R4 | sample type:pre | sample_n:1	patient type:recipient | patientID:R4 | sample type:pre | sample_n:2	patient type:recipient | patientID:R4 | sample type:post | sample_n:3	patient type:recipient | patientID:R4 | sample type:post | sample_n:4	patient type:recipient | patientID:R4 | sample type:post | sample_n:5	patient type:recipient | patientID:R4 | sample type:post | sample_n:6.0	patient type:donor | patientID:d4 | sample type:donor | sample_n:1	patient type:donor | patientID:d4 | sample type:donor | sample_n:2	patient type:recipient | patientID:R5 | sample type:pre | sample_n:2	patient type:recipient | patientID:R5 | sample type:post | sample_n:3	patient type:recipient | patientID:R5 | sample type:post | sample_n:4	patient type:recipient | patientID:R5 | sample type:post | sample_n:5	patient type:recipient | patientID:R5 | sample type:post | sample_n:6.0	patient type:donor | patientID:d5 | sample type:donor | sample_n:1	patient type:donor | patientID:d5 | sample type:donor | sample_n:2	patient type:recipient | patientID:R6 | sample type:pre | sample_n:1	patient type:recipient | patientID:R6 | sample type:pre | sample_n:2	patient type:recipient | patientID:R6 | sample type:post | sample_n:3	patient type:recipient | patientID:R6 | sample type:post | sample_n:4	patient type:recipient | patientID:R6 | sample type:post | sample_n:5	patient type:recipient | patientID:R6 | sample type:post | sample_n:6.0
PROPIONIC ACID	2.981366171	2.966012082	7.690544618	3.75343085	4.214358159	4.360112327	2.358355325	2.491753409	2.306896912	1.675169764	7.531725194	1.77304623	8.143426935	3.630226391	8.824969578	4.531738109	3.161104917	3.233960216	4.176741098	5.786913206	2.939294825	4.46602094	2.376136544	9.279630614	7.74544536	25.03505652	9.680631877	9.087508492	18.82420011	8.158408631	10.38991639	5.236491199	7.834346583	11.53241344	4.660808365	6.45814511	7.481013519	12.9786714	2.970392979	4.00085988	7.327814394	4.066696388	6.551429725	3.932768166
ISOVALERIC ACID	.875328412	.782000104	2.717383556	1.362019505	1.576320119	1.739691311	.863971156	.92736157	.881611385	.638060948	1.023800038	.58702379	.957717434	.692138591	2.231155094	.70448296	1.089354221	1.067570567	1.145447502	1.698930292	.922689873	3.220998369	.90911463	3.393241086	2.54594243	4.372061157	2.400179838	1.913904248	1.038948382	1.493446117	.635870745	1.906316962	3.691486857	3.149222205	.831633324	2.675823023	.453297999	1.146629399	.912654792	1.162168716	2.676416386	1.302081897	2.67914202	1.593800776
ACETIC ACID	5.030424847	7.09812871	6.345224594	10.13708527	10.65162989	9.40268232	2.817962402	4.314730339	2.801743238	2.555149223	18.42141435	5.763887209	23.62272623	15.33584258	40.53143662	15.00864239	5.847870362	4.657275069	16.3783891	15.4803779	9.911077003	21.64748141	8.115472636	34.96226394	17.67976886	47.49766072	30.71433993	30.08665526	43.29321418	31.64775541	18.3571274	9.349023114	28.06667066	30.88644945	23.46324493	14.77769788	20.86118681	38.11974356	7.512558574	7.861931229	17.99830919	20.470933	34.03457624	22.56534768
BUTYRIC ACID	1.897851836	2.295586843	3.367792165	2.304452933	4.315608184	5.501840394	1.07674621	1.171272784	1.067058827	.772876823	5.499648926	.770690652	6.018078691	2.258961972	14.7537329	3.423972209	1.156297532	1.202762115	4.638834658	6.490036533	2.085043841	5.358667761	1.783170073	6.62656508	5.375612294	11.34852463	6.982331524	6.748253366	9.813411133	11.05126138	4.899608643	5.173164875	7.655683505	7.962746407	13.83619783	3.917136979	2.812187232	5.050558145	1.501324466	1.6643959	4.648218604	5.070676897	8.546049891	4.652537262
OCTANOIC ACID	.030405003	.034460377	.14936881	.04638661	.057001134	.094316102	.043021042	.041289643	.047544506	0	.041719094	.031819554	.025941794	.037226638	.037537229	.018028296	.04303008	.039620428	.41518383	.234186898	.032339084	.063321154	.032241029	.037452223	.115880003	.681063749	.082477631	.091445422	.034634852	.073584693	.035953931	.092859127	.089390323	.090351259	.155396477	.0414801	0	0	0	0	.038406004	.036152088	0	.032531899
VALERIC ACID	.489508707	.468859211	2.218018078	1.215903918	1.409694873	1.53976871	.712811978	.782342187	.71665944	.518993787	.801135274	.477323398	.462395531	.538601641	2.950444235	.828459947	.50495745	.642549251	1.24862755	1.708861194	.887593492	3.593082462	.900298679	.666511012	.848762753	4.627379238	3.363407376	2.524822338	1.422398115	1.880630369	.801478378	.557338087	3.802300881	3.420153741	.755545556	.969809988	.73465236	1.542635387	.58423913	.797720318	3.370389862	1.607931513	3.145443667	1.979928829
HEPTANOIC ACID	.048067187	.045576568	.220033898	.064572181	.085523283	.123208558	.062004848	.059553246	.071095967	.051746158	.060253418	.047396227	.038275742	.052422904	.046209513	.0237765	.049321679	.063427718	.063303453	.073639095	.047022327	.117301053	.053999047	.050326382	.078468776	.38067039	.199098866	.152074977	.044412053	.115547322	.056942739	.047066245	.056852697	.104314556	.058281239	.070356158	.023473837	.059627647	.049634412	0	.061695121	0	.059831103	.03806978
HEXANOIC ACID	.187514146	.179173445	.863843443	.261835157	.39270688	.726486657	.248858898	.239275925	.281830843	.208050369	.242569166	.188170728	.15384413	.208445268	.197226058	.101374441	.195577346	.251732265	.274389307	.322044423	.192832099	.482741939	.233874284	.201313103	.31130244	1.651915706	.858397803	.714669802	.196493709	.824870998	.42426398	.189462974	.310928696	.44784608	.41768387	.284800388	.095503041	.243700119	.200367924	.304689078	.258760095	.221627159	.269143707	.166174562
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
