#METABOLOMICS WORKBENCH STUDY_ID:ST000207 ANALYSIS_ID:AN000309 PROJECT_ID:PR000174
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	Mice inoculation with human microbiota (AMY1)
PR:PROJECT_SUMMARY               	Mice were inoculated with human microbiota
PR:INSTITUTE                     	Cornell University
PR:DEPARTMENT                    	Microbiology
PR:LABORATORY                    	Ley Lab
PR:LAST_NAME                     	Ley
PR:FIRST_NAME                    	Ruth
PR:ADDRESS                       	Ithaca, NY
PR:EMAIL                         	rel222@cornell.edu
PR:PHONE                         	607-255-4954
#STUDY
ST:STUDY_TITLE                   	Mice inoculation with human microbiota (MouseAMY1.1SCFA.Cecal)
ST:STUDY_SUMMARY                 	Cecal contents were collected and frozen at -80. Aliquots were made on dry ice
ST:STUDY_SUMMARY                 	then aliquots were stored at -80 until shipment on dry ice.
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                    	19
ST:TOTAL_SUBJECTS                	19
#SUBJECT
SU:SUBJECT_TYPE                  	-
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10088
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0005050	S00016358	AMY1group:high	donor=hs52
SUBJECT_SAMPLE_FACTORS           	SU0005052	S00016360	AMY1group:high	donor=hs55
SUBJECT_SAMPLE_FACTORS           	SU0005054	S00016362	AMY1group:high	donor=hs7
SUBJECT_SAMPLE_FACTORS           	SU0005056	S00016364	AMY1group:high	donor=hs8
SUBJECT_SAMPLE_FACTORS           	SU0005058	S00016366	AMY1group:high	donor=hs39
SUBJECT_SAMPLE_FACTORS           	SU0005060	S00016368	AMY1group:high	donor=hs2
SUBJECT_SAMPLE_FACTORS           	SU0005062	S00016370	AMY1group:high	donor=hs6
SUBJECT_SAMPLE_FACTORS           	SU0005064	S00016372	AMY1group:high	donor=hs64
SUBJECT_SAMPLE_FACTORS           	SU0005066	S00016374	AMY1group:high	donor=hs91,T6
SUBJECT_SAMPLE_FACTORS           	SU0005067	S00016375	AMY1group:high	donor=hs99
SUBJECT_SAMPLE_FACTORS           	SU0005051	S00016359	AMY1group:low	donor=hs36
SUBJECT_SAMPLE_FACTORS           	SU0005053	S00016361	AMY1group:low	donor=hs42
SUBJECT_SAMPLE_FACTORS           	SU0005055	S00016363	AMY1group:low	donor=hs69
SUBJECT_SAMPLE_FACTORS           	SU0005057	S00016365	AMY1group:low	donor=hs80
SUBJECT_SAMPLE_FACTORS           	SU0005059	S00016367	AMY1group:low	donor=hs90
SUBJECT_SAMPLE_FACTORS           	SU0005061	S00016369	AMY1group:low	donor=hs95
SUBJECT_SAMPLE_FACTORS           	SU0005063	S00016371	AMY1group:low	donor=hs97
SUBJECT_SAMPLE_FACTORS           	SU0005065	S00016373	AMY1group:low	donor=hs111
SUBJECT_SAMPLE_FACTORS           	SU0005068	S00016376	AMY1group:low	donor=hs88
#COLLECTION
CO:COLLECTION_SUMMARY            	-
CO:SAMPLE_TYPE                   	Cecum
#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.M.txt
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	MRC2 (University of Michigan)
AN:ACQUISITION_PARAMETERS_FILE   	WAXPLUS_100-200C_2_SIM.M.txt
AN:PROCESSING_PARAMETERS_FILE    	EX00357-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 sample
MS_METABOLITE_DATA_START
Samples	S00016358	S00016360	S00016362	S00016364	S00016366	S00016368	S00016370	S00016372	S00016374	S00016375	S00016359	S00016361	S00016363	S00016365	S00016367	S00016369	S00016371	S00016373	S00016376
Factors	AMY1group:high	AMY1group:high	AMY1group:high	AMY1group:high	AMY1group:high	AMY1group:high	AMY1group:high	AMY1group:high	AMY1group:high	AMY1group:high	AMY1group:low	AMY1group:low	AMY1group:low	AMY1group:low	AMY1group:low	AMY1group:low	AMY1group:low	AMY1group:low	AMY1group:low
aceticacid	38.6111	182.4467	161.5278	124.4721	84.9619	53.6529	58.5291	77.7047	145.0406	122.0978	55.4854	137.8649	136.3328	146.3568	101.4954	222.2087	48.1975	157.6527	132.1501
butyricacid	3.1621	0.0000	6.0033	6.1113	2.3617	37.8407	0.0000	51.0041	0.0000	80.1870	0.0000	14.6917	0.0000	2.7172	0.0000	2.4146	7.6726	24.5764	2.3227
heptanoicacid	0.1883	0.2481	0.1906	0.1250	0.1120	0.0935	0.0843	0.0000	0.1371	0.1345	0.1840	0.1178	0.1388	0.1467	0.1200	0.1627	0.2030	0.1073	0.1301
hexanoicacid	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	3.1525	4.8525	5.3562	5.3041	0.0000	0.0000	0.0000	0.0000	0.0000	6.1532	0.0000	4.1820	5.2678
iso-butyricacid	0.8252	0.5060	1.6907	2.2616	2.8569	1.5799	0.5784	1.7938	0.9318	2.3941	2.4363	2.6642	0.3394	1.0633	1.0598	1.7777	1.9996	1.3326	1.0839
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	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
propionic acid	19.3391	75.8303	32.6141	32.9506	35.7320	30.2458	32.9622	24.1464	61.1532	32.5015	17.1462	36.1480	20.9992	41.6478	70.0322	88.8808	23.5358	25.3238	41.0629
valericacid	2.4366	0.0000	1.9966	4.2522	0.0000	4.6847	4.7057	3.0494	0.0000	0.0000	0.5377	6.9706	0.0000	0.0000	0.0000	0.0000	4.6901	0.0000	0.0000
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
propionic acid				1032			Propionate	UM_Target_ID
valericacid				7991			Valerate	UM_Target_ID
METABOLITES_END
#END