#METABOLOMICS WORKBENCH araskind_20150608_9329301_mwtab.txt DATATRACK_ID:288 STUDY_ID:ST000190 ANALYSIS_ID:AN000291 PROJECT_ID:PR000161
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	Zinc Studies
PR:PROJECT_SUMMARY               	Zinc Deficiency and SCFA
PR:INSTITUTE                     	USDA-ARS, Cornell University
PR:DEPARTMENT                    	Trace minerals and Nutrition
PR:LABORATORY                    	Tako Lab
PR:LAST_NAME                     	Tako
PR:FIRST_NAME                    	Elad
PR:ADDRESS                       	Ithaca, New York
PR:EMAIL                         	et79@cornell.edu
PR:PHONE                         	607-255-5434
#STUDY
ST:STUDY_TITLE                   	Trace minerals and Nutrition Zinc study
ST:STUDY_TYPE                    	Assessment of dietary zinc on SCFA cecal production
ST:STUDY_SUMMARY                 	Assessment of dietary zinc on SCFA cecal production
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@umich.edu
ST:PHONE                         	-
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	12
#SUBJECT
SU:SUBJECT_TYPE                  	-
SU:SUBJECT_SPECIES               	Gallus gallus
SU:TAXONOMY_ID                   	9031
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0005095	S00016508	Zink:MINUS	
SUBJECT_SAMPLE_FACTORS           	SU0005095	S00016509	Zink:MINUS	
SUBJECT_SAMPLE_FACTORS           	SU0005095	S00016510	Zink:MINUS	
SUBJECT_SAMPLE_FACTORS           	SU0005095	S00016511	Zink:MINUS	
SUBJECT_SAMPLE_FACTORS           	SU0005095	S00016512	Zink:MINUS	
SUBJECT_SAMPLE_FACTORS           	SU0005095	S00016513	Zink:MINUS	
SUBJECT_SAMPLE_FACTORS           	SU0005096	S00016514	Zink:PLUS	
SUBJECT_SAMPLE_FACTORS           	SU0005096	S00016515	Zink:PLUS	
SUBJECT_SAMPLE_FACTORS           	SU0005096	S00016516	Zink:PLUS	
SUBJECT_SAMPLE_FACTORS           	SU0005096	S00016517	Zink:PLUS	
SUBJECT_SAMPLE_FACTORS           	SU0005096	S00016518	Zink:PLUS	
SUBJECT_SAMPLE_FACTORS           	SU0005096	S00016519	Zink:PLUS	
#COLLECTION
CO:COLLECTION_SUMMARY            	-
CO:SAMPLE_TYPE                   	Intestinal Secretions
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	-
SP:SAMPLEPREP_PROTOCOL_FILENAME  	SCFA_analysis_protocol-2015-03-10.docx
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	-
CH:COLUMN_NAME                   	Phenomenex Zebron ZB-WAXplus (30m x 0.25mm, 0.25um)
CH:METHODS_ID                    	AQM030
CH:METHODS_FILENAME              	WAXPLUS_100-200C_2_SIM.txt
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	MRC2 (University of Michigan)
AN:ACQUISITION_PARAMETERS_FILE   	WAXPLUS_100-200C_2_SIM.txt
AN:PROCESSING_PARAMETERS_FILE    	EX00360-SCFA-Quant-methods.m.zip
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 5975C
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	pmol/mg dry weight
MS_METABOLITE_DATA_START
Samples	S00016508	S00016509	S00016510	S00016511	S00016512	S00016513	S00016514	S00016515	S00016516	S00016517	S00016518	S00016519
Factors	Zink:MINUS	Zink:MINUS	Zink:MINUS	Zink:MINUS	Zink:MINUS	Zink:MINUS	Zink:PLUS	Zink:PLUS	Zink:PLUS	Zink:PLUS	Zink:PLUS	Zink:PLUS
aceticacid	28.7142	40.5676	74.1352	139.9315	15.0318	41.1993	279.2641	49.7022	85.5670	59.3735	58.7670	63.7693
butyricacid	0.0000	7.6274	79.6318	63.6687	0.0000	12.8285	77.0638	29.1437	29.2628	61.9841	52.4931	38.6904
heptanoicacid	0.9106	0.0000	0.0000	0.0000	0.7165	1.0420	1.2446	0.0000	0.0000	0.0000	0.0000	0.0000
hexanoicacid	0.0000	0.0000	0.0000	0.0000	0.2308	0.0000	0.0000	0.5359	0.0000	0.0000	0.2765	0.6925
iso-butyricacid	1.2490	1.0271	5.4886	4.6484	0.2300	1.3585	2.8931	1.2484	0.9720	1.4107	2.2637	1.8591
isovalericacid	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
propionicacid	0.0000	0.4267	5.4279	17.7967	0.0000	15.7052	7.7284	1.9782	0.4145	2.3924	5.9496	4.3529
valericacid	1.3545	0.6144	3.0860	3.1713	1.0288	1.2744	3.8695	0.8166	1.0214	1.1353	1.0462	0.9725
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
aceticacid				176			Acetate	UM_Target_ID
butyricacid				20975673			Butyrate	UM_Target_ID
heptanoicacid				8094			Heptanoate	UM_Target_ID
hexanoicacid				8892			Hexanoate	UM_Target_ID
iso-butyricacid				6590			iso-butyrate	UM_Target_ID
isovalericacid				10430			Isovalerate	UM_Target_ID
propionicacid				1032			Propionate	UM_Target_ID
valericacid				7991			Valerate	UM_Target_ID
METABOLITES_END
#END