#METABOLOMICS WORKBENCH Amygwu_20160809_160650 DATATRACK_ID:698 STUDY_ID:ST000449 ANALYSIS_ID:AN000704 PROJECT_ID:PR000347
VERSION             	1
CREATED_ON             	August 18, 2016, 1:51 pm
#PROJECT
PR:PROJECT_TITLE                 	Molecular Imaging of Growth, Metabolism, and Antibiotic Inhibition in Bacterial
PR:PROJECT_TITLE                 	Colonies by Laser Ablation Electrospray Ionization Mass Spectrometry
PR:PROJECT_SUMMARY               	This study utilized laser ablation electrospray ionization mass spectrometry
PR:PROJECT_SUMMARY               	imaging to study the metabolism and antibiotic inhibition in bacterial colonies.
PR:INSTITUTE                     	The George Washington University
PR:DEPARTMENT                    	Chemistry
PR:LABORATORY                    	Vertes Research Lab
PR:LAST_NAME                     	Li
PR:FIRST_NAME                    	Hang
PR:ADDRESS                       	800 22nd St. NW, Suite 4000, Washington, DC 20052
PR:EMAIL                         	amy_li@gwmail.gwu.edu
PR:PHONE                         	202-994-6344
#STUDY
ST:STUDY_TITLE                   	Molecular Imaging of Growth, Metabolism, and Antibiotic Inhibition in Bacterial
ST:STUDY_TITLE                   	Colonies by Laser Ablation Electrospray Ionization Mass Spectrometry
ST:STUDY_SUMMARY                 	This study investigates the metabolism and antibiotic inhibition in Escherichia
ST:STUDY_SUMMARY                 	coli and Bacillus subtilis colonies.
ST:INSTITUTE                     	George Washington University
ST:DEPARTMENT                    	Chemistry
ST:LABORATORY                    	Vertes Research Lab
ST:LAST_NAME                     	Li
ST:FIRST_NAME                    	Hang
ST:ADDRESS                       	800 22nd St. NW, Suite 4000, Washington, DC 20052
ST:EMAIL                         	amy_li@gwmail.gwu.edu
ST:PHONE                         	202-994-6344
#SUBJECT
SU:SUBJECT_TYPE                  	Microbial (Escherichia coli, bacillus subtilis)
SU:SUBJECT_SPECIES               	Bacillus subtilis
SU:TAXONOMY_ID                   	1423
SU:GENOTYPE_STRAIN               	ATCC12435, ATCC6051
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	EC-1	Treatment:Blank	
SUBJECT_SAMPLE_FACTORS           	-	BS-1	Treatment:Blank	
SUBJECT_SAMPLE_FACTORS           	-	BS-2	Treatment:Streptomycin-penicillin	
SUBJECT_SAMPLE_FACTORS           	-	ECBS-1	Treatment:Streptomycin	
#COLLECTION
CO:COLLECTION_SUMMARY            	All the sample were analyzed using laser ablation electrospray ionization
CO:COLLECTION_SUMMARY            	(LAESI) MS or MSI.
#TREATMENT
TR:TREATMENT_SUMMARY             	In the antibiotic susceptibility testing, the bacterial colonies were treated
TR:TREATMENT_SUMMARY             	with streptomycin or streptomycin-penicillin.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The E. coli and B. subtilis colonies were inoculated and incubated following the
SP:SAMPLEPREP_SUMMARY            	standard protocol. The antibiotic inhibition tests were performed according to
SP:SAMPLEPREP_SUMMARY            	the conventional Kirby-Bauer antibiotic testing.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	No chromatography was used for this study
CH:CHROMATOGRAPHY_TYPE           	None
CH:INSTRUMENT_NAME               	Synapt G2S
CH:COLUMN_NAME                   	None
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Waters Synapt G2 S QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	m/z
MS_METABOLITE_DATA_START
Samples	EC-1	BS-1
Factors	Treatment:Blank	Treatment:Blank
Acetylspermidine	188.176	188.177
Glutathione	308.091	308.091		
Valine	118.085	118.087
Hypoxanthine	137.048	137.046
S-formylglutathione	374.039	374.037
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID
Acetylspermidine				C00612
Glutathione				C00051
Valine				C00183
Hypoxanthine				C00262
S-formylglutathione				C01031
METABOLITES_END
#END