#METABOLOMICS WORKBENCH STUDY_ID:ST000206 ANALYSIS_ID:AN000308 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 (AMY1.1SCFA)
ST:STUDY_SUMMARY                 	Hepatic portal plasma was collected from each mouse using lithium heparin as an
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           	SU0005031	S00016339	AMY1group:high	donor=hs52
SUBJECT_SAMPLE_FACTORS           	SU0005033	S00016341	AMY1group:high	donor=hs55
SUBJECT_SAMPLE_FACTORS           	SU0005035	S00016343	AMY1group:high	donor=hs7
SUBJECT_SAMPLE_FACTORS           	SU0005037	S00016345	AMY1group:high	donor=hs8
SUBJECT_SAMPLE_FACTORS           	SU0005039	S00016347	AMY1group:high	donor=hs39
SUBJECT_SAMPLE_FACTORS           	SU0005041	S00016349	AMY1group:high	donor=hs2
SUBJECT_SAMPLE_FACTORS           	SU0005043	S00016351	AMY1group:high	donor=hs6
SUBJECT_SAMPLE_FACTORS           	SU0005045	S00016353	AMY1group:high	donor=hs64
SUBJECT_SAMPLE_FACTORS           	SU0005047	S00016355	AMY1group:high	donor=hs91,T6
SUBJECT_SAMPLE_FACTORS           	SU0005048	S00016356	AMY1group:high	donor=hs99
SUBJECT_SAMPLE_FACTORS           	SU0005032	S00016340	AMY1group:low	donor=hs36
SUBJECT_SAMPLE_FACTORS           	SU0005034	S00016342	AMY1group:low	donor=hs42
SUBJECT_SAMPLE_FACTORS           	SU0005036	S00016344	AMY1group:low	donor=hs69
SUBJECT_SAMPLE_FACTORS           	SU0005038	S00016346	AMY1group:low	donor=hs80
SUBJECT_SAMPLE_FACTORS           	SU0005040	S00016348	AMY1group:low	donor=hs90
SUBJECT_SAMPLE_FACTORS           	SU0005042	S00016350	AMY1group:low	donor=hs95
SUBJECT_SAMPLE_FACTORS           	SU0005044	S00016352	AMY1group:low	donor=hs97
SUBJECT_SAMPLE_FACTORS           	SU0005046	S00016354	AMY1group:low	donor=hs111
SUBJECT_SAMPLE_FACTORS           	SU0005049	S00016357	AMY1group:low	donor=hs88
#COLLECTION
CO:COLLECTION_SUMMARY            	-
CO:SAMPLE_TYPE                   	Plasma
#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    	EX00356-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         	nmol
MS_METABOLITE_DATA_START
Samples	S00016339	S00016341	S00016343	S00016345	S00016347	S00016349	S00016351	S00016353	S00016355	S00016356	S00016340	S00016342	S00016344	S00016346	S00016348	S00016350	S00016352	S00016354	S00016357
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	1334.1627	1060.5377	953.6201	448.5594	763.4184	488.5548	501.5996	372.1248	497.5759	1179.1020	530.7594	1334.1032	598.0370	562.2334	733.9232	627.6235	489.3023	1467.1386	621.1533
butyricacid	104.8002	25.4594	8.9424	4.1169	4.3667	4.3861	3.2821	6.1018	3.5572	279.9051	4.6243	7.0853	4.6201	5.0490	4.1970	4.5386	4.3695	18.1427	5.0058
heptanoicacid	2.0480	0.4439	0.6823	0.5254	0.7703	0.3877	0.4869	0.3024	0.3072	0.3740	0.4899	0.9720	0.3940	0.3206	0.6749	0.5090	0.4872	0.8499	0.3953
hexanoicacid	13.3035	5.6078	5.6496	2.8847	8.2161	4.4287	3.0141	2.4313	4.0931	5.3698	5.2182	5.9480	5.2471	5.2932	3.2538	4.6627	2.9198	7.6925	4.8594
iso-butyricacid	12.7722	3.0290	3.7187	1.2792	2.5544	1.0419	0.5368	0.9755	1.1007	10.7884	1.4526	3.1959	1.6077	1.6395	2.2441	1.3094	1.1967	3.4865	0.7519
isovalericacid	4.0184	0.7191	0.7047	0.2218	0.5999	0.5198	0.2231	0.1444	0.1570	4.3320	0.6177	0.4182	0.2682	0.2587	0.2247	0.2213	0.2543	0.9123	0.1983
propionic acid	328.9816	192.9039	23.5408	6.2853	15.9515	8.4806	10.8947	7.1110	11.7935	170.8520	12.3388	18.0864	13.3414	13.7941	14.7827	17.6133	11.8710	36.9106	18.5610
valericacid	37.3008	1.9938	2.6095	1.0151	1.3572	0.8491	0.8102	1.1515	0.7514	4.7606	1.5453	2.6685	0.7611	0.6583	1.2481	1.0514	1.1539	2.3146	0.8785
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