#METABOLOMICS WORKBENCH stuppie_20140203_9436091_mwtab.txt DATATRACK_ID:32 stuppie_20140203_9544301_mwtab.txt DATATRACK_ID:31 STUDY_ID:ST000019 ANALYSIS_ID:AN000038 PROJECT_ID:PR000018
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	Isotopic Ratio Outlier Analysis Global Metabolomics ofCaenorhabditis elegans
PR:PROJECT_TYPE                  	IROA labeling study
PR:PROJECT_SUMMARY               	We demonstrate the global metabolic analysis ofCaenorhabditis elegansstress
PR:PROJECT_SUMMARY               	using a mass-spectrometry-based technique called isotopic ratio outlier
PR:PROJECT_SUMMARY               	(IROA). In an IROA protocol, control and experimental samples are isotopically
PR:PROJECT_SUMMARY               	with 95 and 5%13C, and the two sample populations are mixed together for
PR:PROJECT_SUMMARY               	extraction, sample preparation, and LC-MS analysis.To illustrate the utility of
PR:PROJECT_SUMMARY               	for global metabolomics, we exposed wild-type (N2) worms to a heat shock (30
PR:PROJECT_SUMMARY               	heat shock at 33 C), which causes significant, widespread changes in
PR:PROJECT_SUMMARY               	We collected and analyzed material from the exometabolome (all material that
PR:PROJECT_SUMMARY               	release in the supernatant) and the endometabolome (homogenized total extracts
PR:PROJECT_SUMMARY               	the worm bodies).
PR:INSTITUTE                     	University of Florida
PR:DEPARTMENT                    	Biochemistry & Molecular Biology
PR:LABORATORY                    	Edison
PR:LAST_NAME                     	Edison
PR:FIRST_NAME                    	Arthur
PR:ADDRESS                       	R3-226 Academic Research Building, Department of Biochemistry & Molecular
PR:ADDRESS                       	PO Box 100245, Gainesville, FL 32610-0245
PR:EMAIL                         	aedison@ufl.edu
PR:PHONE                         	(352) 392-4535
#STUDY
ST:STUDY_TITLE                   	Determine purity and quality of IROA labelled glucose
ST:STUDY_TYPE                    	NMR and MS analysis
ST:STUDY_SUMMARY                 	We demonstrate the global metabolic analysis ofCaenorhabditis elegansstress
ST:STUDY_SUMMARY                 	using a mass-spectrometry-based technique called isotopic ratio outlier
ST:STUDY_SUMMARY                 	(IROA). In an IROA protocol, control and experimental samples are isotopically
ST:STUDY_SUMMARY                 	with 95 and 5%13C, and the two sample populations are mixed together for
ST:STUDY_SUMMARY                 	extraction, sample preparation, and LC-MS analysis.To illustrate the utility of
ST:STUDY_SUMMARY                 	for global metabolomics, we exposed wild-type (N2) worms to a heat shock (30
ST:STUDY_SUMMARY                 	heat shock at 33 C), which causes significant, widespread changes in
ST:STUDY_SUMMARY                 	We collected and analyzed material from the exometabolome (all material that
ST:STUDY_SUMMARY                 	release in the supernatant) and the endometabolome (homogenized total extracts
ST:STUDY_SUMMARY                 	the worm bodies).
ST:INSTITUTE                     	University of Florida
ST:DEPARTMENT                    	Biochemistry & Molecular Biology
ST:LAST_NAME                     	Stupp
ST:FIRST_NAME                    	Gregory
ST:ADDRESS                       	-
ST:EMAIL                         	stuppie@ufl.edu
ST:PHONE                         	-
ST:STUDY_COMMENTS                	Determine purity and quality of IROA labelled glucose
#SUBJECT
SU:SUBJECT_TYPE                  	-
SU:SUBJECT_SPECIES               	N/A
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	5p	%13C:0.05	
SUBJECT_SAMPLE_FACTORS           	-	95p	%13C:0.95	
SUBJECT_SAMPLE_FACTORS           	-	Blank	%13C:none	
#COLLECTION
CO:COLLECTION_SUMMARY            	none
#TREATMENT
TR:TREATMENT_SUMMARY             	none
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	-
SP:SAMPLEPREP_PROTOCOL_FILENAME  	IROAGlucoseNMR_Feb11_2014.txt
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	5%: 10.7 mg dissolved in 594 L of 99% D2O and 6 L of 111.11 mM d4-TSP in D2O
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	2.8 mg dissolved in 594 L of 99% D2O and 6 L of 111.11 mM d4-TSP in D2O Blank:
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	L of 99% D2O and 6 L of 111.11 mM d4-TSP in D2O
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Accela 1250
CH:COLUMN_NAME                   	Thermo Scientific Gold aQ
CH:CHROMATOGRAPHY_COMMENTS       	100% solvent A for 1 min followed by a linear gradient to 20% B in 6 min, a
CH:CHROMATOGRAPHY_COMMENTS       	gradient to 60% B in 2 min, a linear gradient to 95% B in 4 min, held for 2
CH:CHROMATOGRAPHY_COMMENTS       	and a 3.5 min return to the starting composition
CH:COLUMN_TEMPERATURE            	40C
CH:FLOW_RATE                     	600 uL/min
CH:SAMPLE_INJECTION              	3 uL
CH:SOLVENT_A                     	0.1% formic acid in water
CH:SOLVENT_B                     	0.1% formic acid in acetonitrile
CH:ANALYTICAL_TIME               	18.5 min
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:SOFTWARE_VERSION              	Thermo Xcalibur Qual Browser 2.2
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	LCMSmethod.rtf
MS:MASS_ACCURACY                 	1.5 ppm
MS:SPRAY_VOLTAGE                 	3kV
MS:RESOLUTION_SETTING            	70000
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS        	N/A
MS_METABOLITE_DATA_START
Samples	5p	95p	Blank
Factors	%13C:0.05	%13C:0.95	%13C:none
no data			
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
no data
METABOLITES_END
#END