{ "METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000163","ANALYSIS_ID":"AN000255","VERSION":"1","CREATED_ON":"2016-09-17"}, "PROJECT":{"PROJECT_TITLE":"Metabolomics of 50 healthy humans and common marmosets","PROJECT_SUMMARY":"-","INSTITUTE":"Emory University","DEPARTMENT":"Department of Medicine","LABORATORY":"Clinical Biomarkers Laboratory","LAST_NAME":"Jones","FIRST_NAME":"Dean","ADDRESS":"Whitehead Biomedical Research Building, Rm 225, 621 Michael Street, Atlanta, GA","EMAIL":"kuppal2@emory.edu","PHONE":"-"}, "STUDY":{"STUDY_TITLE":"Metabolomics of 50 healthy humans and common marmosets (MetabNet)","STUDY_TYPE":"Healthy subjects","STUDY_SUMMARY":"-","INSTITUTE":"Emory University","DEPARTMENT":"Department of Medicine","LABORATORY":"Clinical Biomarkers Laboratory","LAST_NAME":"Uppal","FIRST_NAME":"Karan","ADDRESS":"Whitehead Biomedical Research Building, Rm 225, 621 Michael Street, Atlanta, GA","EMAIL":"kuppal2@emory.edu","PHONE":"-","TOTAL_SUBJECTS":"100"}, 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"Factors":{"Species":"Marmoset"} }, { "Subject ID":"M21", "Sample ID":"VT_120301_052", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M22", "Sample ID":"VT_120301_054", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M23", "Sample ID":"VT_120301_056", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M24", "Sample ID":"VT_120301_058", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M25", "Sample ID":"VT_120301_060", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M26", "Sample ID":"VT_120302_020", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M27", "Sample ID":"VT_120302_022", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M28", "Sample ID":"VT_120302_024", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M29", "Sample ID":"VT_120302_044", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M30", "Sample ID":"VT_120302_046", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M31", "Sample ID":"VT_120302_048", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M32", "Sample ID":"VT_120302_068", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M33", "Sample ID":"VT_120302_070", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M34", "Sample ID":"VT_120302_072", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M35", "Sample ID":"VT_120302_098", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M36", "Sample ID":"VT_120302_100", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M37", "Sample ID":"VT_120302_102", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M86", "Sample ID":"VT_120305_008", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M87", "Sample ID":"VT_120305_010", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M88", "Sample ID":"VT_120305_012", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M89", "Sample ID":"VT_120305_026", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M90", "Sample ID":"VT_120305_028", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M91", "Sample ID":"VT_120305_030", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M92", "Sample ID":"VT_120305_032", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M93", "Sample ID":"VT_120305_034", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M94", "Sample ID":"VT_120305_036", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M95", "Sample ID":"VT_120305_074", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M96", "Sample ID":"VT_120305_076", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M97", "Sample ID":"VT_120305_078", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M98", "Sample ID":"VT_120305_080", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M99", "Sample ID":"VT_120305_082", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M100", "Sample ID":"VT_120305_084", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M101", "Sample ID":"VT_120305_086", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M102", "Sample ID":"VT_120305_088", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M103", "Sample ID":"VT_120305_090", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M104", "Sample ID":"VT_120305_122", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M105", "Sample ID":"VT_120305_124", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M106", "Sample ID":"VT_120305_126", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M107", "Sample ID":"VT_120306_008", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M108", "Sample ID":"VT_120306_010", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M109", "Sample ID":"VT_120306_012", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M110", "Sample ID":"VT_120306_014", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M111", "Sample ID":"VT_120306_016", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M112", "Sample ID":"VT_120306_018", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M113", "Sample ID":"VT_120306_020", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M114", "Sample ID":"VT_120306_022", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M115", "Sample ID":"VT_120306_024", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M116", "Sample ID":"VT_120306_026", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M117", "Sample ID":"VT_120306_028", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M118", "Sample ID":"VT_120306_030", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M119", "Sample ID":"VT_120306_032", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M120", "Sample ID":"VT_120306_034", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M121", "Sample ID":"VT_120306_036", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M122", "Sample ID":"VT_120306_086", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M123", "Sample ID":"VT_120306_088", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M124", "Sample ID":"VT_120306_090", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M125", "Sample ID":"VT_120306_110", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M126", "Sample ID":"VT_120306_112", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M127", "Sample ID":"VT_120306_114", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M128", "Sample ID":"VT_120307_026", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M129", "Sample ID":"VT_120307_028", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M130", "Sample ID":"VT_120307_030", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M131", "Sample ID":"VT_120307_056", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M132", "Sample ID":"VT_120307_058", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M133", "Sample ID":"VT_120307_060", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M134", "Sample ID":"VT_120307_098", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M135", "Sample ID":"VT_120307_100", "Factors":{"Species":"Marmoset"} }, { "Subject ID":"M136", "Sample ID":"VT_120307_102", "Factors":{"Species":"Marmoset"} } ], "COLLECTION":{"COLLECTION_SUMMARY":"-"}, "TREATMENT":{"TREATMENT_SUMMARY":"No treatment"}, "SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"aliquots of 65ul sample were mixed with 130ul acetonitrile and 3.25ul internal Vortex for 1 minute on high and leave on ice for 30 minutes. Centrifuge for 10 at 13.2rpm. 130ul of supernatant was removed and placed into autosampler vials the mass spectrometer.","PROCESSING_METHOD":"precipitation of protein, centrifuge, and remove supernatant","PROCESSING_STORAGE_CONDITIONS":"on ice","EXTRACTION_METHOD":"1:2 sample:acetonitrile","EXTRACT_STORAGE":"supernatant pipette into autosampler vials for mass spectrometer","SAMPLE_SPIKING":"internal standards: [15N,13C5]-L-methionine, [2-15N]-L-lysine dihydrochloride, chloride, [13C5]-L-glutamic acid, [13C7]-benzoic acid, [15N]-L-tyrosine, [3,3-13C2]-cystine, [trimethyl-13C3]-caffeine,"}, "CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"untargeted dual chromatography (C18 and Anion Exchange column)","CHROMATOGRAPHY_TYPE":"Anion exchange/Reversed phase","INSTRUMENT_NAME":"Thermo Accela CTC","COLUMN_NAME":"Higgins C18 100x2.1mm, 5um; Hamilton Anion Exchange 100x2.1mm, 7um","METHODS_ID":"Methods_LTQVelosOrbi","METHODS_FILENAME":"Methods_LTQVelosOrbi","COLUMN_PRESSURE":"200 Bar (max)","COLUMN_TEMPERATURE":"30","FLOW_GRADIENT":"C18: A% = 5% for 10 minutes, 0-2mins = 60% B, 2-6mins = gradient to 95% B, = 95% B; AE: 1-10mins = 50%B, 0-2mins = 5%A, 2-7mins = gradient to 50%A, = 50%A","FLOW_RATE":"0.35 mL/min","INJECTION_TEMPERATURE":"4C","SAMPLE_INJECTION":"10ul","SAMPLING_CONE":"ESI","SOLVENT_A":"LC grade water with 2% Formic acid","SOLVENT_B":"LC grade acetonitrile","ANALYTICAL_TIME":"LC grade water","CAPILLARY_VOLTAGE":"10 minutes","MIGRATION_TIME":"100uA (source current)","SHEATH_LIQUID":"4.5kV (source voltage)","WEAK_WASH_SOLVENT_NAME":"water with 10% methanol","SAMPLE_SYRINGE_SIZE":"20ul"}, "ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Clinical Biomarkers Laboratory, Emory University","ACQUISITION_DATE":"3/4/2013 - 3//2013","SOFTWARE_VERSION":"Xcalibur 2.2","OPERATOR_NAME":"ViLinh Tran","DETECTOR_TYPE":"Orbitrap","DATA_FORMAT":".raw"}, "MS":{"INSTRUMENT_NAME":"Thermo LTQ","INSTRUMENT_TYPE":"Single quadrupole","MS_TYPE":"ESI","ION_MODE":"POSITIVE","CAPILLARY_TEMPERATURE":"4.45","COLLISION_ENERGY":"N2","FRAGMENTATION_METHOD":"50psi","ION_SPRAY_VOLTAGE":"electrospray ionization","IONIZATION_POTENTIAL":"5ppm","REAGENT_GAS":"48","ATOM_GUN_CURRENT":"1000000","CDL_TEMPERATURE":".raw","SAMPLE_DRIPPING":"85-2000","MS_COMMENTS":"technical triplicates for each sample","MS_RESULTS_FILE":"ST000163_AN000255_Results.txt UNITS:intensity Has m/z:Yes Has RT:Yes"} }