#METABOLOMICS WORKBENCH araskind_20170619_134053 DATATRACK_ID:1025 STUDY_ID:ST000723 ANALYSIS_ID:AN001133 PROJECT_ID:PR000520
VERSION             	1
CREATED_ON             	July 2, 2017, 9:44 pm
#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
#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
ST:STUDY_SUMMARY                 	believed to be shaped by the host intestine. We report here an unsuspected
ST:STUDY_SUMMARY                 	prominent role of Orai1-mediated pancreatic acinar cell exocytosis in shaping
ST:STUDY_SUMMARY                 	the microbiome. Deletion of Orai1 in pancreatic acini of mature mice maintained
ST:STUDY_SUMMARY                 	on solid diet resulted in 60-70% mortality. The mice have severe bacterial
ST:STUDY_SUMMARY                 	burden with dysbiosis resulting in systemic inflammation and death. This occurs
ST:STUDY_SUMMARY                 	despite prominent Paneth cell hyperplasia and activation of the intestinal
ST:STUDY_SUMMARY                 	innate immune response. Secretion of and bacterial killing by pancreatic
ST:STUDY_SUMMARY                 	defensins are markedly reduced, resulting in microbiota with decreased diversity
ST:STUDY_SUMMARY                 	and increased pathogenic bacteria. Survival and weight gain are not rescued by
ST:STUDY_SUMMARY                 	digestive enzyme supplements, but are by broad-spectrum antibiotics and purified
ST:STUDY_SUMMARY                 	liquid diet. These findings reveal an unexpected profound role of pancreatic
ST:STUDY_SUMMARY                 	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:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	4
#SUBJECT
SU:SUBJECT_TYPE                  	MOUSE
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#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	
#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           	GC
CH:INSTRUMENT_NAME               	Agilent 7890N
CH:COLUMN_NAME                   	Phenomenex Zebron ZB-WAXplus (30m x 0.25mm, 0.25um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	A007 - Short Chain Fatty Acids.pdf
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 5975
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	nmol/mg
MS_METABOLITE_DATA_START
Samples	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
#END