#METABOLOMICS WORKBENCH csclendinen_20140910_9027541_mwtab.txt DATATRACK_ID:151 TEXT OUTPUT STUDY_ID:ST000101 ANALYSIS_ID:AN000167 PROJECT_ID:PR000089 VERSION 1 CREATED_ON 10-02-2015 #PROJECT PR:PROJECT_TITLE 13C Metabolomics: Applications at Natural Abundance PR:INSTITUTE University of Florida PR:DEPARTMENT Department of Biochemistry and 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 Biology, PO Box 100245, Gainesville, FL 32610-0245 PR:EMAIL aedison@ufl.edu PR:PHONE 352-392-4535 PR:PROJECT_SUMMARY - #STUDY ST:STUDY_TITLE NMR analysis of Synthetic Mixture Analysis ST:STUDY_TYPE Synthetic ST:STUDY_SUMMARY Two groups of mixtures with 5 replicates each were each made using 20 synthetic ST:STUDY_SUMMARY metabolites. Some metabolites were at equal concentrations in both groups, and ST:STUDY_SUMMARY 10 metabolites differed between groups with half higher in group A, and half ST:STUDY_SUMMARY higher in group B. ST:INSTITUTE University of Florida ST:DEPARTMENT Department of Biochemistry and Molecular Biology /SECIM ST:LABORATORY Arthur Edison ST:LAST_NAME Arthur ST:FIRST_NAME Edison 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:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 10 ST:PHONE - #SUBJECT SU:SUBJECT_TYPE Synthetic Sample 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 - Mixture B1 Mixture Concentration (mM):(Arg,Nicotinamide,Lys,Trp,Carnitine)-High ( Met,Pro,Glu,Glucose,Ile)-Low SUBJECT_SAMPLE_FACTORS - Mixture B2 Mixture Concentration (mM):(Arg,Nicotinamide,Lys,Trp,Carnitine)-High ( Met,Pro,Glu,Glucose,Ile)-Low SUBJECT_SAMPLE_FACTORS - Mixture B3 Mixture Concentration (mM):(Arg,Nicotinamide,Lys,Trp,Carnitine)-High ( Met,Pro,Glu,Glucose,Ile)-Low SUBJECT_SAMPLE_FACTORS - Mixture B4 Mixture Concentration (mM):(Arg,Nicotinamide,Lys,Trp,Carnitine)-High ( Met,Pro,Glu,Glucose,Ile)-Low SUBJECT_SAMPLE_FACTORS - Mixture B5 Mixture Concentration (mM):(Arg,Nicotinamide,Lys,Trp,Carnitine)-High ( Met,Pro,Glu,Glucose,Ile)-Low SUBJECT_SAMPLE_FACTORS - Mixture A1 Mixture Concentration (mM):( Met,Pro,Glu,Glucose,Ile)-High (Arg,Nicotinamide,Lys,Trp,Carnitine)-Low SUBJECT_SAMPLE_FACTORS - Mixture A2 Mixture Concentration (mM):( Met,Pro,Glu,Glucose,Ile)-High (Arg,Nicotinamide,Lys,Trp,Carnitine)-Low SUBJECT_SAMPLE_FACTORS - Mixture A3 Mixture Concentration (mM):( Met,Pro,Glu,Glucose,Ile)-High (Arg,Nicotinamide,Lys,Trp,Carnitine)-Low SUBJECT_SAMPLE_FACTORS - Mixture A4 Mixture Concentration (mM):( Met,Pro,Glu,Glucose,Ile)-High (Arg,Nicotinamide,Lys,Trp,Carnitine)-Low SUBJECT_SAMPLE_FACTORS - Mixture A5 Mixture Concentration (mM):( Met,Pro,Glu,Glucose,Ile)-High (Arg,Nicotinamide,Lys,Trp,Carnitine)-Low #COLLECTION CO:SAMPLE_TYPE Synthetic Mixture CO:VOLUMEORAMOUNT_COLLECTED 50 microliters CO:STORAGE_CONDITIONS -80 degree Celsius CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Two groups of mixtures with 5 replicates each were each made using 20 synthetic SP:SAMPLEPREP_SUMMARY metabolites ranging in concentration from 1 to 5 mM. The first ten metabolites SP:SAMPLEPREP_SUMMARY were at equal concentrations in both groups, and the remaining 10 metabolites SP:SAMPLEPREP_SUMMARY differed between groups with half higher in group A, and half higher in group B. SP:SAMPLEPREP_SUMMARY Samples were brought to 50 microliters using 99% D2O and 40 microliters were SP:SAMPLEPREP_SUMMARY pipetted into a 1.5 mm tube. SP:SAMPLEPREP_PROTOCOL_FILENAME SyntheticMix_Concentrations.pdf SP:SAMPLEPREP_PROTOCOL_COMMENTS 10 metabolites were of similar concentration between the two groups. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE - CH:INSTRUMENT_NAME - CH:COLUMN_NAME - #ANALYSIS AN:LABORATORY_NAME Edison AN:ANALYSIS_TYPE NMR AN:SOFTWARE_VERSION VNMRJ AN:OPERATOR_NAME Chaevien Clendinen AN:DATA_FORMAT Varian #NMR NM:INSTRUMENT_TYPE Varian NM:NMR_EXPERIMENT_TYPE 1D 13C NM:SPECTROMETER_FREQUENCY 600 MHz NM:NMR_PROBE 1.5 mm HTS cryoprobe NM:NMR_SOLVENT D2O NM:NMR_TUBE_SIZE 1.5 mm NM:SHIMMING_METHOD Manual NM:PULSE_SEQUENCE 1D 13C NM:PULSE_WIDTH 60 NM:RECEIVER_GAIN 28 NM:TEMPERATURE 22 degree Celsius NM:NUMBER_OF_SCANS 8192 NM:DUMMY_SCANS 16 NM:ACQUISITION_TIME 0.8s NM:RELAXATION_DELAY 0.1 NM:SPECTRAL_WIDTH 212 ppm NM:NUM_DATA_POINTS_ACQUIRED 51282 NM:REAL_DATA_POINTS 25641 NM:LINE_BROADENING 2 Hz NM:ZERO_FILLING 2x NM:APODIZATION Exponential NM:INSTRUMENT_NAME Varian #NMR_BINNED_DATA NMR_BINNED_DATA:UNITS Peak area NMR_BINNED_DATA_START Bin range(ppm) Mixture B1 Mixture B2 Mixture B3 Mixture B4 Mixture B5 Mixture A1 Mixture A2 Mixture A3 Mixture A4 Mixture A5 NMR_BINNED_DATA_END #END