#METABOLOMICS WORKBENCH csclendinen_20140910_9105751_mwtab.txt DATATRACK_ID:149 TEXT OUTPUT STUDY_ID:ST000098 ANALYSIS_ID:AN000160 PROJECT_ID:PR000090
VERSION             	1
CREATED_ON          	10-02-2015
#PROJECT
PR:PROJECT_TITLE                 	13C Metabolomics: NMR and IROA for Unknown Identification
PR:PROJECT_SUMMARY               	Demonstrate a method using high-sensitivity NMR to identify an unknown
PR:PROJECT_SUMMARY               	metabolite from a fraction isolated from an IROA LC-MS experiment.
PR:INSTITUTE                     	University of Florida
PR:DEPARTMENT                    	Department of Biochemistry and Molecular Biology / SECIM
PR:LABORATORY                    	Edison
PR:LAST_NAME                     	Edison
PR:FIRST_NAME                    	Arthur
PR:EMAIL                         	aedison@ufl.edu
PR:PHONE                         	352-392-4535
PR:ADDRESS                       	-
#STUDY
ST:STUDY_TITLE                   	Heatshock response of C. elegans using IROA (II)
ST:INSTITUTE                     	University of Florida
ST:DEPARTMENT                    	Department of Biochemistry and Molecular Biology / SECIM
ST:LABORATORY                    	Arthur Edison
ST:LAST_NAME                     	Edison
ST:FIRST_NAME                    	Arthur
ST:ADDRESS                       	R3-226 Academic Research Building, Department of Biochemistry & Molecular
ST:ADDRESS                       	Biology, PO Box 100245, Gainesville, FL 32610-0245
ST:EMAIL                         	aedison@ufl.edu
ST:PHONE                         	352-392-4535
ST:NUM_GROUPS                    	1
ST:TOTAL_SUBJECTS                	1
ST:STUDY_SUMMARY                 	-
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Caenorhabditis elegans
SU:GENOTYPE_STRAIN               	N2
SU:SPECIES_GROUP                 	Invertebrate
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	HSP	HSP_F9_ms2_neg.raw	Fractionation:fraction 4-4.5 min	
SUBJECT_SAMPLE_FACTORS           	HSP	HSP_F9_pos.raw	Fractionation:fraction 4-4.5 min	
SUBJECT_SAMPLE_FACTORS           	HSP	HSP_F10_ms2_neg.raw	Fractionation:fraction 4.5-5 min	
SUBJECT_SAMPLE_FACTORS           	HSP	HSP_F10_pos.raw	Fractionation:fraction 4.5-5 min	
SUBJECT_SAMPLE_FACTORS           	HSP	HSP_ms2_pos.raw	Fractionation:Unfractionated	
SUBJECT_SAMPLE_FACTORS           	HSP	HSP_pos.raw	Fractionation:Unfractionated	
#COLLECTION
CO:COLLECTION_SUMMARY            	Samples were already collected.
CO:COLLECTION_PROTOCOL_FILENAME  	NMR_Methods.docx;LCMSMethod.docx
#TREATMENT
TR:TREATMENT_SUMMARY             	No further treatment
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were mixed together and resuspended in 120 ?L of water.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	NMR_Methods.docx;LCMSMethod.docx
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	-
MS:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	-
#ANALYSIS
AN:LABORATORY_NAME               	Arthur Edison
AN:ANALYSIS_TYPE                 	NMR
AN:SOFTWARE_VERSION              	VNMRJ
AN:OPERATOR_NAME                 	Chaevien Clendinen
AN:DATA_FORMAT                   	Varian FID
#NMR
NM:INSTRUMENT_TYPE               	Agilent VNMRS
NM:NMR_EXPERIMENT_TYPE           	2D 1H-13C HSQC
NM:SPECTROMETER_FREQUENCY        	600 MHz
NM:NMR_PROBE                     	custome 1.5 mm HTS probe
NM:NMR_SOLVENT                   	D2O
NM:NMR_TUBE_SIZE                 	1.5 mm
NM:PULSE_WIDTH                   	90d
NM:POWER_LEVEL                   	37
NM:OFFSET_FREQUENCY              	4.77
NM:TEMPERATURE                   	23d
NM:NUMBER_OF_SCANS               	32
NM:DUMMY_SCANS                   	16
NM:ACQUISITION_TIME              	0.14
NM:RELAXATION_DELAY              	1.5 sec
NM:SPECTRAL_WIDTH                	12 ppm ; 205.5 ppm
NM:NUM_DATA_POINTS_ACQUIRED      	2048
NM:REAL_DATA_POINTS              	1024
NM:LINE_BROADENING               	2
NM:ZERO_FILLING                  	2x
NM:APODIZATION                   	EM
NM:BASELINE_CORRECTION_METHOD    	POLY
NM:INSTRUMENT_NAME               	Agilent VNMRS-600
#END