#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-06-17
#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 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
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	MCFA and SCFA in fecal pellets from mice on different diets
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	To determine the concnetration of MCFA and SCFA in mouse fecal pellets. Mice are 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:SUBMIT_DATE      	11/09/2015 11:25:19 AM
ST:NUM_GROUPS       	3
ST:TOTAL_SUBJECTS   	6
ST:STUDY_COMMENTS   	
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS            	SU0013503	S00020270	Feeding:SCFA	
SUBJECT_SAMPLE_FACTORS            	SU0013504	S00020271	Feeding:SCFA	
SUBJECT_SAMPLE_FACTORS            	SU0013505	S00020272	Feeding:MCFA	
SUBJECT_SAMPLE_FACTORS            	SU0013506	S00020273	Feeding:MCFA	
SUBJECT_SAMPLE_FACTORS            	SU0013507	S00020274	Feeding:Control	
SUBJECT_SAMPLE_FACTORS            	SU0013508	S00020275	Feeding:Control	
#SUBJECT
SU:SUBJECT_TYPE                   	MOUSE
SU:SUBJECT_SPECIES                	Mus musculus
SU:TAXONOMY_ID                    	10090
#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            	
CH:INSTRUMENT_NAME                	GC_7890N MS_5975 (Agilent)
CH:COLUMN_NAME                    	 ()
CH:METHODS_FILENAME               	WAXPLUS_100-250C_3_SPLIT10-1_SIM.M
#ANALYSIS
AN:ANALYSIS_TYPE                  	MS
AN:INSTRUMENT_NAME                	GC_7890N MS_5975 (Agilent)
AN:ANALYSIS_PROTOCOL_FILE         	A007 - Short Chain Fatty Acids.pdf
AN:ACQUISITION_PARAMETERS_FILE    	WAXPLUS_100-250C_3_SPLIT10-1_SIM.M
AN:PROCESSING_PARAMETERS_FILE     	-
#MS
MS:INSTRUMENT_TYPE                	Q
MS:MS_TYPE                        	EI
MS:ION_MODE                       	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	nmol/mg
MS_METABOLITE_DATA_START
Sample	S00020270	S00020271	S00020272	S00020273	S00020274	S00020275
Factors	Feeding:SCFA	Feeding:SCFA	Feeding:MCFA	Feeding:MCFA	Feeding:Control	Feeding:Control
PROPIONIC ACID	3.451537376	3.967529421	.385977128	.934313502	2.442519521	4.036663088
ISOVALERIC ACID	.084411434	.058549781	.067230954	.052983553	.022462453	.029698296
ACETIC ACID	8.071808754	9.536710406	5.098622326	4.022159745	7.226657103	9.644481308
BUTYRIC ACID	1.54776195	1.139588992	.54877827	1.754694191	.177303839	.118243727
DECANOIC ACID	.039858195	0	0	.005439163	.004982569	0
OCTANOIC ACID	.027376318	.027314351	.039266261	.030869622	.013279455	.015105819
LAURIC ACID	.132286863	.31324659	.069096527	.08821379	.139704587	.195247136
VALERIC ACID	.074335175	.036512533	.304510289	.144635971	.009265288	.008386266
HEPTANOIC ACID	.009551344	.007304389	.002611122	.002799808	.005910576	.005521196
NONANOIC ACID	.044631135	.029641695	.02918896	.016278313	.017799727	.013860523
HEXANOIC ACID	.02982761	.01958173	.013180596	.01037463	.0141001	.012794695
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
