#METABOLOMICS WORKBENCH araskind_20170619_184534 DATATRACK_ID:1064 STUDY_ID:ST000760 ANALYSIS_ID:AN001198 PROJECT_ID:PR000549
VERSION             	1
CREATED_ON             	July 4, 2017, 3:10 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                   	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
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                	6
#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           	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	
#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	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
#END