#METABOLOMICS WORKBENCH STUDY_ID:ST000189 ANALYSIS_ID:AN000290 PROJECT_ID:PR000160
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	Hirschprung Associated Enterocolitis Studies
PR:PROJECT_SUMMARY               	Assess for correlations between SCFA content and history of HAEC
PR:INSTITUTE                     	University of Michigan
PR:DEPARTMENT                    	Surgery
PR:LABORATORY                    	Teitelbaum Lab
PR:LAST_NAME                     	Teitelbaum
PR:FIRST_NAME                    	Daniel
PR:ADDRESS                       	Ann Arbor, MI
PR:EMAIL                         	dttbm@umich.edu
PR:PHONE                         	734-936-8464
#STUDY
ST:STUDY_TITLE                   	Hirschprung Enterocolitis SCFA
ST:STUDY_TYPE                    	treatment-control
ST:STUDY_SUMMARY                 	Patients between age of 6 weeks and 16 years of age who were undergoing small
ST:STUDY_SUMMARY                 	resection were selected, including those who were either receiving enteral
ST:STUDY_SUMMARY                 	preoperatively (control group), or those who were without enteral nutrition and
ST:STUDY_SUMMARY                 	TPN (TPN group). At the time of operation, 100-500 microliters of effluent from
ST:STUDY_SUMMARY                 	small bowel lumen was aspirated during the small bowel resection. The samples
ST:STUDY_SUMMARY                 	immediately frozen in liquid nitrogen and stored at -80deg. After five control
ST:STUDY_SUMMARY                 	five TPN samples were collected, all samples were submitted for amino acid
ST:STUDY_SUMMARY                 	to quantify the relative amounts of amino acids in the small bowel effluent
ST:STUDY_SUMMARY                 	each patient. We hypothesize that the TPN group will contain higher levels of
ST:STUDY_SUMMARY                 	amino acids present in TPN, such as leucine, phenylalanine, and valine.
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                    	1
ST:TOTAL_SUBJECTS                	20
#SUBJECT
SU:SUBJECT_TYPE                  	-
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0004508	S00015485	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004509	S00015486	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004510	S00015487	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004511	S00015488	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004512	S00015489	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004513	S00015490	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004514	S00015491	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004515	S00015492	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004516	S00015493	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004517	S00015494	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004518	S00015495	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004519	S00015496	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004520	S00015497	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004521	S00015498	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004522	S00015499	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004523	S00015500	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004524	S00015501	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004525	S00015502	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004526	S00015503	Human Stool:Human Stool	
SUBJECT_SAMPLE_FACTORS           	SU0004527	S00015504	Human Stool:Human Stool	
#COLLECTION
CO:COLLECTION_SUMMARY            	-
CO:SAMPLE_TYPE                   	Feces
#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    	EX00332-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
MS_METABOLITE_DATA_START
Samples	S00015485	S00015486	S00015487	S00015488	S00015489	S00015490	S00015491	S00015492	S00015493	S00015494	S00015495	S00015496	S00015497	S00015498	S00015499	S00015500	S00015501	S00015502	S00015503	S00015504
Factors	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool	Human Stool:Human Stool
aceticacid	85798.4810	344711.0200	15306.2080	726972.1300	132494.6600	46707.1210	76454.9630	590365.2900	9250.2627	0.0000	73036.7340	30284.0660	45309.6470	6595.0102	15342.5950	20395.3510	47101.1140	69297.9160	68769.0970	0.0000
butyricacid	18469.0390	13949.6310	0.0000	4102.4373	0.0000	38075.9100	0.0000	827.1283	5422.4421	0.0000	16888.5850	19666.8840	23758.4320	8370.6945	1828.1539	10040.1340	9645.9817	0.0000	20260.3350	616.8442
heptanoicacid	0.0000	106.3515	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	55.2290	0.0000	44.6941	0.0000	142.1144	0.0000	0.0000	0.0000	32.0206
hexanoicacid	357.0290	357.1039	0.0000	0.0000	0.0000	62.1598	0.0000	93.9205	0.0000	0.0000	0.0000	594.2870	8.5120	511.5792	0.0000	1495.3018	860.8933	614.0408	0.0000	10.3392
iso-butyricacid	4902.2838	855.7065	0.0000	0.0000	0.0000	2293.4537	0.0000	0.0000	818.6795	0.0000	306.4505	489.1831	530.5451	2271.8257	317.3292	2219.5377	3617.0251	943.3976	1497.3853	0.0000
isovalericacid	2557.3725	561.9737	0.0000	0.0000	0.0000	1252.6790	0.0000	0.0000	298.8908	0.0000	0.0000	76.4139	152.1314	1050.2380	82.7643	1145.3736	3082.1955	0.0000	700.2049	0.0000
propionicacid	22421.6860	42500.2280	0.0000	0.0000	0.0000	12496.5110	0.0000	12390.7900	10840.8800	0.0000	42623.3990	11650.4790	4619.6557	10420.6450	1864.9557	15452.8100	13506.8570	8110.0850	10825.3080	504.3274
valericacid	4411.4520	2050.3613	0.0000	290.8696	0.0000	3545.0172	0.0000	205.1445	1275.0313	0.0000	1087.5726	1190.6176	305.0539	2174.1924	306.3608	6092.0825	5192.3144	0.0000	3894.0680	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
propionicacid				1032			Propionate	UM_Target_ID
valericacid				7991			Valerate	UM_Target_ID
METABOLITES_END
#END