#METABOLOMICS WORKBENCH araskind_20170619_184710 DATATRACK_ID:1065 STUDY_ID:ST000761 ANALYSIS_ID:AN001199 PROJECT_ID:PR000549
VERSION             	1
CREATED_ON             	July 4, 2017, 3:14 pm
#PROJECT
PR:PROJECT_TITLE                 	Koralov Fatty Acid Test
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	To determine SCFA and MCFA concentration in fecal pellets of differently treated
PR:PROJECT_SUMMARY               	mice.
PR:INSTITUTE                     	New York University School of Medicine
PR:DEPARTMENT                    	Pathology
PR:LABORATORY                    	Koraolv Lab
PR:LAST_NAME                     	Koralov
PR:FIRST_NAME                    	Sergei
PR:ADDRESS                       	New York
PR:EMAIL                         	Sergei.Koralov@nyumc.org
PR:PHONE                         	212-263-1843
#STUDY
ST:STUDY_TITLE                   	Concentration of MCFA and SCFA in fecal pellets from mice on different diets
ST:STUDY_TITLE                   	(part II)
ST:STUDY_TYPE                    	MS analysis
ST:STUDY_SUMMARY                 	To determine the concentration of MCFA and SCFA in mouse fecal pellets. Mice are
ST:STUDY_SUMMARY                 	fed different diets.
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                    	3
ST:TOTAL_SUBJECTS                	9
#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           	SU0013679	S00020685	Type:SCFA	
SUBJECT_SAMPLE_FACTORS           	SU0013680	S00020686	Type:SCFA	
SUBJECT_SAMPLE_FACTORS           	SU0013681	S00020687	Type:SCFA	
SUBJECT_SAMPLE_FACTORS           	SU0013682	S00020688	Type:MCFA	
SUBJECT_SAMPLE_FACTORS           	SU0013683	S00020689	Type:MCFA	
SUBJECT_SAMPLE_FACTORS           	SU0013684	S00020690	Type:MCFA	
SUBJECT_SAMPLE_FACTORS           	SU0013685	S00020691	Type:Control	
SUBJECT_SAMPLE_FACTORS           	SU0013686	S00020692	Type:Control	
SUBJECT_SAMPLE_FACTORS           	SU0013687	S00020693	Type:Control	
#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                   	Agilent HP5-MS (15m × 0.25mm, 0.25 um)
#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	S00020685	S00020686	S00020687	S00020688	S00020689	S00020690	S00020691	S00020692	S00020693
Factors	Type:SCFA	Type:SCFA	Type:SCFA	Type:MCFA	Type:MCFA	Type:MCFA	Type:Control	Type:Control	Type:Control
PROPIONIC ACID	2.796352595	5.66092716	3.185383654	.393067466	.839136667	.384823958	.96705241	1.115242955	.875375802
ISOVALERIC ACID	.182827586	.099836154	.033574122	.041217756	.067557003	.038356831	.014600948	.014804597	.008577733
ACETIC ACID	10.11380953	14.8464168	8.261257236	4.94310227	7.075473604	4.295713076	5.02446501	4.884760108	4.474093082
BUTYRIC ACID	2.857678107	2.583550946	2.685717004	.578714474	.845999205	.333402309	.174843978	.248719906	.198184724
DECANOIC ACID	.111915547	.061801632	.016109648	.022057569	.019756572	.023198745	.008795351	.016271044	.006968463
OCTANOIC ACID	.09527668	.063157422	.040733646	.097331167	.075417142	.106070967	.051586633	.059195725	.029354748
LAURIC ACID	.265162705	.413906202	.189307748	.190787506	.084251484	.244498854	.148723511	.300329455	.842814554
VALERIC ACID	.448829556	.232235534	.15494748	.121723921	.247954928	.091704342	.009460129	.009389967	.007257326
HEPTANOIC ACID	.026082218	.009120651	.003377006	.001953944	.001983328	.001471097	.002613861	.002565429	.001830341
NONANOIC ACID	.097913178	.037752724	.013726514	.013689206	.007189071	.011457395	.008737931	.01282972	.004520612
HEXANOIC ACID	.055981308	.024075019	.012194168	.00981842	.008577163	.012509525	.011045733	.016738299	.011980805
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
DECANOIC ACID				2969
OCTANOIC ACID				379
LAURIC ACID				3893
VALERIC ACID				7991
HEPTANOIC ACID				8094
NONANOIC ACID				8158
HEXANOIC ACID				8892
METABOLITES_END
#END