{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001414","ANALYSIS_ID":"AN002364","VERSION":"1","CREATED_ON":"June 10, 2020, 3:40 am"},

"PROJECT":{"PROJECT_TITLE":"Pseudomonas aeruginosa cystic fibrosis clinical isolates volatile metabolomics","PROJECT_TYPE":"GCxGC-TOFMS metabolomics","PROJECT_SUMMARY":"Untargeted metabolomics analysis of in vitro headspace volatiles from 81 Pseudomonas aeruginosa bacterial isolates from individuals with cystic fibrosis.","INSTITUTE":"Arizona State University","DEPARTMENT":"School of Life Sciences","LABORATORY":"Bean Laboratory","LAST_NAME":"Davis","FIRST_NAME":"Trenton","ADDRESS":"427 E Tyler Mall, LSE 317, Tempe, AZ 85287","EMAIL":"Trenton.J.Davis@asu.edu","PHONE":"5738235718"},

"STUDY":{"STUDY_TITLE":"Pseudomonas aeruginosa cystic fibrosis clinical isolates volatile metabolomics","STUDY_TYPE":"Untargeted metabolomics","STUDY_SUMMARY":"Untargeted metabolomics analysis of in vitro headspace volatiles from 81 Pseudomonas aeruginosa bacterial isolates from individuals with cystic fibrosis. Headspace volatiles were collected using solid-phase microextraction (SPME) (in triplicate) and comprehensive two-dimensional gas chromatography and time-of-flight mass spectrometry (GCxGC-TOFMS). 15 replicates of un-inoculated media were prepared and analyzed in parallel, for a total of 258 samples.","INSTITUTE":"Arizona State University","DEPARTMENT":"School of Life Sciences","LABORATORY":"Bean Laboratory","LAST_NAME":"Davis","FIRST_NAME":"Trenton","ADDRESS":"427 E Tyler Mall, LSE 317, Tempe, AZ, 85287","EMAIL":"Trenton.J.Davis@asu.edu","PHONE":"5738235718"},

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},
{
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},
{
"Subject ID":"PA",
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},
{
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},
{
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},
{
"Subject ID":"PA",
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"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
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},
{
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},
{
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},
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},
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},
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},
{
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},
{
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},
{
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},
{
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"Additional sample data":{"RAW_FILE_NAME":"73-1 1 10_1_1.SMP"}
},
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},
{
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},
{
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"Additional sample data":{"RAW_FILE_NAME":"73-2 1 10_1_1.SMP"}
},
{
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},
{
"Subject ID":"PA",
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},
{
"Subject ID":"PA",
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},
{
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},
{
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},
{
"Subject ID":"PA",
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},
{
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},
{
"Subject ID":"PA",
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},
{
"Subject ID":"PA",
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},
{
"Subject ID":"PA",
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"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"74-2 2 9_13_1.SMP"}
},
{
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},
{
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},
{
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"Additional sample data":{"RAW_FILE_NAME":"74-3 2 9_13_1.SMP"}
},
{
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"Additional sample data":{"RAW_FILE_NAME":"74-3 3 9_17_1.SMP"}
},
{
"Subject ID":"PA",
"Sample ID":"75-1 1 9_10_1",
"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"75-1 1 9_10_1.SMP"}
},
{
"Subject ID":"PA",
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"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"75-1 2 9_13_1.SMP"}
},
{
"Subject ID":"PA",
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"Additional sample data":{"RAW_FILE_NAME":"75-1 3 9_17_1.SMP"}
},
{
"Subject ID":"PA",
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"Additional sample data":{"RAW_FILE_NAME":"75-2 1 9_10_1.SMP"}
},
{
"Subject ID":"PA",
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"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"75-2 2 9_13_1.SMP"}
},
{
"Subject ID":"PA",
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},
{
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},
{
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"Additional sample data":{"RAW_FILE_NAME":"75-3 2 9_13_1.SMP"}
},
{
"Subject ID":"PA",
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"Additional sample data":{"RAW_FILE_NAME":"75-3 3 9_17_1.SMP"}
},
{
"Subject ID":"PA",
"Sample ID":"75-4 1 10_1_1",
"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"75-4 1 10_1_1.SMP"}
},
{
"Subject ID":"PA",
"Sample ID":"75-4 2 10_5_1",
"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"75-4 2 10_5_1.SMP"}
},
{
"Subject ID":"PA",
"Sample ID":"75-4 3 10_6_1",
"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"75-4 3 10_6_1.SMP"}
},
{
"Subject ID":"PA",
"Sample ID":"76-1 1 9_11_1",
"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"76-1 1 9_11_1.SMP"}
},
{
"Subject ID":"PA",
"Sample ID":"76-1 2 9_16_1",
"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"76-1 2 9_16_1.SMP"}
},
{
"Subject ID":"PA",
"Sample ID":"76-1 3 9_17_1",
"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"76-1 3 9_17_1.SMP"}
},
{
"Subject ID":"PA",
"Sample ID":"76-2 1 10_1_1",
"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"76-2 1 10_1_1.SMP"}
},
{
"Subject ID":"PA",
"Sample ID":"76-2 2 10_5__1",
"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"76-2 2 10_5__1.SMP"}
},
{
"Subject ID":"PA",
"Sample ID":"76-2 3 10_6_1",
"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"76-2 3 10_6_1.SMP"}
},
{
"Subject ID":"PA",
"Sample ID":"76-3 1 9_10_1",
"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"76-3 1 9_10_1.SMP"}
},
{
"Subject ID":"PA",
"Sample ID":"76-3 2 9_16_1",
"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"76-3 2 9_16_1.SMP"}
},
{
"Subject ID":"PA",
"Sample ID":"76-3 3 9_17_1",
"Factors":{"treatment":"bacteria","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"76-3 3 9_17_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB Blank 1 9_10_1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB Blank 1 9_10_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB Blank 1 9_24_1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB Blank 1 9_24_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB Blank 10 10_12_1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB Blank 10 10_12_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB Blank 2 9_11_1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB Blank 2 9_11_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB Blank 2 9_26_1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB Blank 2 9_26_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB blank 3 9_13_1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB blank 3 9_13_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB Blank 3 9_16_1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB Blank 3 9_16_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB Blank 3 9_17_1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB Blank 3 9_17_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB Blank 3 9_29_1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB Blank 3 9_29_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB Blank 3 9_30_1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB Blank 3 9_30_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB Blank 5 10_1_1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB Blank 5 10_1_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB Blank 6 10_1_1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB Blank 6 10_1_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB Blank 7 10_2_1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB Blank 7 10_2_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB Blank 8 10_6_1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB Blank 8 10_6_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"LB Blank 9 10_5__1",
"Factors":{"treatment":"blank","culture_time":"24","culture_medium":"lb_lennox"},
"Additional sample data":{"RAW_FILE_NAME":"LB Blank 9 10_5__1.SMP"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"P. aeruginosa isolates were collected from 81 individuals with cystic fibrosis, and obtained from Seattle Children's Hospital Cystic Fibrosis Isolate Core. Bacterial isolates were stored as pure glycerol stocks at -70 degrees Celsius.","SAMPLE_TYPE":"Bacterial cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"Liquid cultures of lysogeny broth (Lennox) were inoculated with P. aeruginosa from pure glycerol stocks and incubated aerobically at 37 degrees Celsius for 24 hours in triplicate. Cultures were centrifuged through a 0.2 µm filter to remove cells, and filtrates were transferred to GC headspace vials."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Filtrate samples were heated to 50 degrees Celsius with agitation, and volatiles were sampled for 10 minutes using solid-phase microextraction (SPME) and analyzed using comprehensive gas chromatography coupled to time-of-flight mass spectrometry.","PROCESSING_STORAGE_CONDITIONS":"Described in summary","EXTRACTION_METHOD":"Solid-phase microextraction (SPME)"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Samples analyzed using comprehensive two-dimensional gas chromatography (GCxGC). See attached method file.","CHROMATOGRAPHY_TYPE":"GCxGC","INSTRUMENT_NAME":"Agilent 7890B","COLUMN_NAME":"Multidimensional column configuration"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Leco Pegasus 4D GCxGC TOF","INSTRUMENT_TYPE":"GC x GC-TOF","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"Acquisition delay: 180 s Filament active time: 180 s to end of run Start mass/End mass: 35/400 Acquisition rate: 100 spectra/s Voltage offset: +50 V Electron energy: -70 eV Ion source temperature: 200 Celsius Acquisition masses: TIC Processing software: Leco ChromaTOF MS Library: NIST 2011","MS_RESULTS_FILE":"ST001414_AN002364_Results.txt UNITS:Peak area Has m/z:No Has RT:Yes RT units:Seconds"}

}