#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-06-17
#PROJECT
PR:PROJECT_TITLE    	Analysis of SCFA in the fecal matter of wt and Orai1kO mice
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	Orai1 mediated pancreatic secretion is critical for gut innate immunity
PR:INSTITUTE        	National Institutes of Health
PR:DEPARTMENT       	NIDCR/MPTB
PR:LABORATORY       	Muallem Lab
PR:LAST_NAME        	Muallem
PR:FIRST_NAME       	Shmuel
PR:ADDRESS          	Bethesda, Maryland
PR:EMAIL            	301-402-0262
PR:PHONE            	301-471-3027
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	Analysis of SCFA in the fecal matter of wt and Orai1kO mice
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	The gut microbiome participates in numerous physiological functions and is believed to be shaped by the host intestine. We report here an unsuspected prominent role of Orai1-mediated pancreatic acinar cell exocytosis in shaping the microbiome. Deletion of Orai1 in pancreatic acini of mature mice maintained on solid diet resulted in 60-70% mortality. The mice have severe bacterial burden with dysbiosis resulting in systemic inflammation and death. This occurs despite prominent Paneth cell hyperplasia and activation of the intestinal innate immune response. Secretion of and bacterial killing by pancreatic defensins are markedly reduced, resulting in microbiota with decreased diversity and increased pathogenic bacteria. Survival and weight gain are not rescued by digestive enzyme supplements, but are by broad-spectrum antibiotics and purified liquid diet. These findings reveal an unexpected profound role of pancreatic secretion in shaping the microbiome
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      	10/18/2016 10:37:42 AM
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            	SU0016351	S00026161	Diet:solid diet | Genotype:wt	
SUBJECT_SAMPLE_FACTORS            	SU0016351	S00026162	Diet:solid diet | Genotype:wt	
SUBJECT_SAMPLE_FACTORS            	SU0016351	S00026163	Diet:solid diet | Genotype:wt	
SUBJECT_SAMPLE_FACTORS            	SU0016351	S00026164	Diet:solid diet | Genotype:wt	
SUBJECT_SAMPLE_FACTORS            	SU0016351	S00026165	Diet:solid diet | Genotype:wt	
SUBJECT_SAMPLE_FACTORS            	SU0016351	S00026166	Diet:solid diet | Genotype:wt	
SUBJECT_SAMPLE_FACTORS            	SU0016352	S00026167	Diet:solid diet | Genotype:Orai1Ko	
SUBJECT_SAMPLE_FACTORS            	SU0016352	S00026168	Diet:solid diet | Genotype:Orai1Ko	
SUBJECT_SAMPLE_FACTORS            	SU0016352	S00026169	Diet:solid diet | Genotype:Orai1Ko	
SUBJECT_SAMPLE_FACTORS            	SU0016352	S00026170	Diet:solid diet | Genotype:Orai1Ko	
SUBJECT_SAMPLE_FACTORS            	SU0016352	S00026171	Diet:solid diet | Genotype:Orai1Ko	
SUBJECT_SAMPLE_FACTORS            	SU0016352	S00026172	Diet:solid diet | Genotype:Orai1Ko	
SUBJECT_SAMPLE_FACTORS            	SU0016353	S00026173	Diet:liquid diet | Genotype:wt	
SUBJECT_SAMPLE_FACTORS            	SU0016353	S00026174	Diet:liquid diet | Genotype:wt	
SUBJECT_SAMPLE_FACTORS            	SU0016353	S00026175	Diet:liquid diet | Genotype:wt	
SUBJECT_SAMPLE_FACTORS            	SU0016353	S00026176	Diet:liquid diet | Genotype:wt	
SUBJECT_SAMPLE_FACTORS            	SU0016353	S00026177	Diet:liquid diet | Genotype:wt	
SUBJECT_SAMPLE_FACTORS            	SU0016354	S00026178	Diet:liquid diet | Genotype:Orai1Ko	
SUBJECT_SAMPLE_FACTORS            	SU0016354	S00026179	Diet:liquid diet | Genotype:Orai1Ko	
SUBJECT_SAMPLE_FACTORS            	SU0016354	S00026180	Diet:liquid diet | Genotype:Orai1Ko	
SUBJECT_SAMPLE_FACTORS            	SU0016354	S00026181	Diet:liquid diet | Genotype:Orai1Ko	
SUBJECT_SAMPLE_FACTORS            	SU0016354	S00026182	Diet:liquid diet | Genotype:Orai1Ko	
#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	S00026161	S00026162	S00026163	S00026164	S00026165	S00026166	S00026167	S00026168	S00026169	S00026170	S00026171	S00026172	S00026173	S00026174	S00026175	S00026176	S00026177	S00026178	S00026179	S00026180	S00026181	S00026182
Factors	Diet:solid diet | Genotype:wt	Diet:solid diet | Genotype:wt	Diet:solid diet | Genotype:wt	Diet:solid diet | Genotype:wt	Diet:solid diet | Genotype:wt	Diet:solid diet | Genotype:wt	Diet:solid diet | Genotype:Orai1Ko	Diet:solid diet | Genotype:Orai1Ko	Diet:solid diet | Genotype:Orai1Ko	Diet:solid diet | Genotype:Orai1Ko	Diet:solid diet | Genotype:Orai1Ko	Diet:solid diet | Genotype:Orai1Ko	Diet:liquid diet | Genotype:wt	Diet:liquid diet | Genotype:wt	Diet:liquid diet | Genotype:wt	Diet:liquid diet | Genotype:wt	Diet:liquid diet | Genotype:wt	Diet:liquid diet | Genotype:Orai1Ko	Diet:liquid diet | Genotype:Orai1Ko	Diet:liquid diet | Genotype:Orai1Ko	Diet:liquid diet | Genotype:Orai1Ko	Diet:liquid diet | Genotype:Orai1Ko
PROPIONIC ACID	1.615156677	.120879216	.157719691	.161925117	2.965777193	5.775169	1.227202435	8.77371213	3.946478607	18.47227042	4.429661368	2.767458011	13.19120058	15.21151317	4.070402499	3.84845463	.462052156	.222445701	.248348813	5.830192609	3.721005364	1.376790515
ISOVALERIC ACID	.064493362	.010986445	.023504794	.012567707	.06529296	.385784746	.08086836	.10681403	.300419621	.275271163	.442667239	.104872294	.139236502	.152911405	.058519068	.151082874	.016554864	.034657274	.079720751	.108838746	.106320405	.063555533
ACETIC ACID	16.40414094	4.262160055	7.709832617	8.070304867	19.62127593	51.79918477	25.60147271	44.35590991	48.29855283	83.54730226	29.85394978	22.1757539	29.25736336	50.90112084	21.61696186	58.84903859	9.555935954	5.245336737	4.505737884	22.83657485	34.15362865	51.10347874
BUTYRIC ACID	.335006594	.089664983	.130675687	.145410333	.716052017	2.183704594	1.152703113	.448122655	5.753952554	2.394097511	1.206296366	.576068665	2.848176812	6.393065734	.998813605	1.22465293	.224361801	.151125877	.199295184	.606789361	1.465439117	.453379103
OCTANOIC ACID	.169584069	.09531197	.110085129	.174852109	.070423713	.125726365	.044831494	1.116176776	.080274359	.098552064	.048725328	.076644659	.04709738	.085221582	.080996302	.113957575	.348701913	.298632032	.127535794	.186201884	.103812494	.047868764
VALERIC ACID	.018415489	.008549986	.027514256	.012674961	.049802526	.423881187	.509117544	.679166579	1.176309169	.476108656	.114174356	.183335442	.491840883	.841016157	.16267396	.863917649	.027088095	.016512258	.05043965	.147780316	.349393685	.107268261
HEPTANOIC ACID	.002784989	.007682954	.011987142	.01223794	.006473325	.005097915	.003329668	.051823111	.005368976	.006198687	.007154884	.006878155	.004052787	.007074573	.005084526	.005293018	.018017711	.015826328	.018881454	.009731908	.005864849	.003897417
HEXANOIC ACID	.016885939	.03035324	.040015973	.045508484	.025449152	.024103121	.049963556	6.594860469	.054403655	.038860853	.035060978	.035852375	.028953983	.039174386	.029955017	.050881827	.071827559	.053313874	.042050666	.034723561	.064165888	.043907126
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
