#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-06-17
#PROJECT
PR:PROJECT_TITLE    	SCFA During Infection
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	Measuring SCFA following 24hr colonization by either C. difficile strain 630 or strain VPI. Compared to uninfected mice.
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      	Measuring SCFA in mice gut following colonization by C. difficile 
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	3 cages of 5-8 week old C57B/6 mice were placed  on the antibiotic cefoperazone for 10 days followed by 2 days of reovery on plain water. One cage remained on plain water the entire time. Of the three antibiotic treated cages. One was mock infected (uninfected control),  one was infected with C. difficile strain VPI 10463, while the other was infected with C. difficile strain 630. Twenty-four hours after the infection the mice were eutanized and the ceal content was collected and snap frozen in liquid nitrogen.  Samples were stored in the -80 until analysis.
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      	05/13/2016 02:44:00 PM
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            	SU0014790	S00022595	CEFOPERAZONE:NO | Infection:NO	
SUBJECT_SAMPLE_FACTORS            	SU0014790	S00022596	CEFOPERAZONE:NO | Infection:NO	
SUBJECT_SAMPLE_FACTORS            	SU0014790	S00022597	CEFOPERAZONE:NO | Infection:NO	
SUBJECT_SAMPLE_FACTORS            	SU0014791	S00022598	CEFOPERAZONE:YES | Infection:NO	
SUBJECT_SAMPLE_FACTORS            	SU0014791	S00022599	CEFOPERAZONE:YES | Infection:NO	
SUBJECT_SAMPLE_FACTORS            	SU0014791	S00022600	CEFOPERAZONE:YES | Infection:NO	
SUBJECT_SAMPLE_FACTORS            	SU0014791	S00022601	CEFOPERAZONE:YES | Infection:NO	
SUBJECT_SAMPLE_FACTORS            	SU0014791	S00022602	CEFOPERAZONE:YES | Infection:NO	
SUBJECT_SAMPLE_FACTORS            	SU0014792	S00022603	CEFOPERAZONE:YES | Infection:C.difficile VPI 10463	
SUBJECT_SAMPLE_FACTORS            	SU0014792	S00022604	CEFOPERAZONE:YES | Infection:C.difficile VPI 10463	
SUBJECT_SAMPLE_FACTORS            	SU0014792	S00022605	CEFOPERAZONE:YES | Infection:C.difficile VPI 10463	
SUBJECT_SAMPLE_FACTORS            	SU0014792	S00022606	CEFOPERAZONE:YES | Infection:C.difficile VPI 10463	
SUBJECT_SAMPLE_FACTORS            	SU0014792	S00022607	CEFOPERAZONE:YES | Infection:C.difficile VPI 10463	
SUBJECT_SAMPLE_FACTORS            	SU0014793	S00022608	CEFOPERAZONE:YES | Infection:C.difficile 630	
SUBJECT_SAMPLE_FACTORS            	SU0014793	S00022609	CEFOPERAZONE:YES | Infection:C.difficile 630	
SUBJECT_SAMPLE_FACTORS            	SU0014793	S00022610	CEFOPERAZONE:YES | Infection:C.difficile 630	
SUBJECT_SAMPLE_FACTORS            	SU0014793	S00022611	CEFOPERAZONE:YES | Infection:C.difficile 630	
SUBJECT_SAMPLE_FACTORS            	SU0014793	S00022612	CEFOPERAZONE:YES | Infection:C.difficile 630	
#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_100-200C_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	S00022595	S00022596	S00022597	S00022598	S00022599	S00022600	S00022601	S00022602	S00022603	S00022604	S00022605	S00022606	S00022607	S00022608	S00022609	S00022610	S00022611	S00022612
Factors	CEFOPERAZONE:NO | Infection:NO	CEFOPERAZONE:NO | Infection:NO	CEFOPERAZONE:NO | Infection:NO	CEFOPERAZONE:YES | Infection:NO	CEFOPERAZONE:YES | Infection:NO	CEFOPERAZONE:YES | Infection:NO	CEFOPERAZONE:YES | Infection:NO	CEFOPERAZONE:YES | Infection:NO	CEFOPERAZONE:YES | Infection:C.difficile VPI 10463	CEFOPERAZONE:YES | Infection:C.difficile VPI 10463	CEFOPERAZONE:YES | Infection:C.difficile VPI 10463	CEFOPERAZONE:YES | Infection:C.difficile VPI 10463	CEFOPERAZONE:YES | Infection:C.difficile VPI 10463	CEFOPERAZONE:YES | Infection:C.difficile 630	CEFOPERAZONE:YES | Infection:C.difficile 630	CEFOPERAZONE:YES | Infection:C.difficile 630	CEFOPERAZONE:YES | Infection:C.difficile 630	CEFOPERAZONE:YES | Infection:C.difficile 630
PROPIONIC ACID	5.840084378	5.025164743	5.728007939	4.664915791	5.003174825	2.074300723	6.533748413	5.290048349	.070904863	.045333804	.077458368	.071814321	.059701876	.053712994	.053209404	.038634593	.031298615	.04201874
ISOVALERIC ACID	.089706861	.069187095	.084817708	.072504929	.068732594	.015811164	.06252755	.083709214	.010654133	.009235816	.014520628	.013444063	.012007614	.003276861	.009653162	.004418113	.004534621	.004965868
ACETIC ACID	25.59294197	25.41492366	28.4688173	2.866606396	9.63153058	4.594908649	7.921260485	3.878906437	1.479032999	.972716676	1.973832838	1.746918212	1.191550721	1.188376034	1.341207373	.806126607	.764126837	1.174697872
BUTYRIC ACID	8.61465711	11.65673252	12.05432854	1.923871524	3.514100872	.493128939	1.179575308	1.868520115	.180448284	.057834738	.153882618	.128358278	.11396217	.149965956	.076179454	.055860094	.039527266	.093361116
OCTANOIC ACID	.025932249	.010373652	.012243175	.009419153	.0126574	.011599976	.008438677	.01961425	.005805574	.005689784	.007483888	.007176709	.00638579	.010068842	.008814481	.008850281	.012685614	.012274529
VALERIC ACID	.432063293	.44141974	.504528232	.061734397	.288796793	.015504573	.021711761	.047579943	.012914933	.005975966	.012380643	.009758525	.010318437	.027223253	.008541028	.007159443	.00445641	.015370977
HEPTANOIC ACID	.005741537	.002880174	.002584118	.001060799	.00103679	.00144478	.001079936	.000378714	.000863618	.000221175	.000322775	.000258454	.000538541	.00149324	.000292595	.000379465	.000354646	.000674351
HEXANOIC ACID	.018829258	.011292956	.011096831	.004118441	.006877033	.004368695	.003672636	.003144908	.00137236	.001552075	.001409975	.001526006	.002077386	.003169532	.002258753	.002408635	.001950788	.004657346
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
