#METABOLOMICS WORKBENCH ioerger_20150804_9997991_mwtab.txt DATATRACK_ID:348 STUDY_ID:ST000234 ANALYSIS_ID:AN000351 PROJECT_ID:PR000187 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE FLUTE: Functionalizing Lists of Unknown TB Entities PR:PROJECT_TYPE NIH U19 PR:PROJECT_SUMMARY functional genomics of proteins of unknown function in M. tuberculosis PR:INSTITUTE Weill Cornell Medical College, NY PR:DEPARTMENT Microbiology and Immunology PR:LAST_NAME Rhee PR:FIRST_NAME Kyu PR:ADDRESS #N/A PR:EMAIL kyr9001@med.cornell.edu PR:PHONE - #STUDY ST:STUDY_TITLE ABMP of M. tuberculosis H37Rv Rv1130 ST:STUDY_TYPE timecourse ST:STUDY_SUMMARY ABMP of M. tuberculosis H37Rv Rv1130 ST:INSTITUTE Weill Cornell Medical College, NY ST:DEPARTMENT Microbiology and Immunology ST:LAST_NAME Rhee ST:FIRST_NAME Kyu ST:ADDRESS #N/A ST:EMAIL kyr9001@med.cornell.edu ST:PHONE - ST:NUM_GROUPS 2 replicates X 3 timepoints #SUBJECT SU:SUBJECT_TYPE - SU:SUBJECT_SPECIES Mycobacterium tuberculosis H37Rv #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS Rv1130 1130_A_0 timepoint (min):0 SUBJECT_SAMPLE_FACTORS Rv1130 1130_B_0 timepoint (min):0 SUBJECT_SAMPLE_FACTORS Rv1130 1130_A_20 timepoint (min):20 SUBJECT_SAMPLE_FACTORS Rv1130 1130_B_20 timepoint (min):20 SUBJECT_SAMPLE_FACTORS Rv1130 1130_A_40 timepoint (min):40 SUBJECT_SAMPLE_FACTORS Rv1130 1130_B_40 timepoint (min):40 #COLLECTION CO:COLLECTION_SUMMARY protein expression CO:COLLECTION_PROTOCOL_ID Rv1130 from M. tuberculosis H37Rv was expressed in E. coli cells and purified... CO:COLLECTION_VIALS polypropylene microfuge tubes CO:STORAGE_VIALS Agilent polypropylene conical bottom vials #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 10 uM enzyme incubated at 37C in M. bovis whole-cell extract SP:PROCESSING_METHOD extract was lyophilized and resuspended in 20 mM Tris-HCL pH 8.0 SP:PROCESSING_STORAGE_CONDITIONS cell pellet frozen at -80C SP:EXTRACTION_METHOD 70% acetonitrile SP:EXTRACT_CLEANUP centrifugation followed by aspiration of supernatant and lyophilization SP:EXTRACT_STORAGE frozen at -80C #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Aqueous normal phase diamond hydride CH:CHROMATOGRAPHY_TYPE Normal phase CH:INSTRUMENT_NAME Agilent 1290 CH:COLUMN_NAME Microsolv Diamond hydride (150mm, 4um) CH:METHODS_FILENAME ANPpos/ANP_neg CH:FLOW_RATE 0.4 ml/min CH:SOLVENT_A H20 +0.2% formic acid CH:SOLVENT_B acetonitrile + 0.2% formic acid CH:ANALYTICAL_TIME 24 minutes CH:WASHING_BUFFER 50% methanol #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Rhee Lab AN:SOFTWARE_VERSION XCMS online AN:DETECTOR_TYPE Agilent 6220 ToF MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6220 TOF MS:INSTRUMENT_TYPE TOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:CAPILLARY_TEMPERATURE 3500 MS:COLLISION_GAS 10 l/min MS:DRY_GAS_FLOW 250 MS:DRY_GAS_TEMP 135V MS:IONIZATION_POTENTIAL 5 ppm MS:MATRIX 35 MS:NEBULIZER 400 MS:SAMPLE_DRIPPING 50-1200 MS:SCANNING 1.4 MS:SCANNING_RANGE 65 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak intensity MS_METABOLITE_DATA_START Samples 1130_A_0 1130_B_0 1130_A_20 1130_B_20 1130_A_40 1130_B_40 Factors timepoint (min):0 timepoint (min):0 timepoint (min):20 timepoint (min):20 timepoint (min):40 timepoint (min):40 423.0844486m/z_11.37763333ri 5082.720385 5044.630936 0 0 0 0 299.0993527m/z_4.9963ri 63560.03954 62387.10253 2744.340327 2580.774447 795.4511957 480.3592133 386.1316154m/z_11.3775ri 5483.243048 5373.276295 0 0 0 0 256.0818762m/z_6.969366667ri 23165.76935 23160.20242 2837.92909 3162.508432 0 306.5500026 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