{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001426","ANALYSIS_ID":"AN002384","VERSION":"1","CREATED_ON":"July 14, 2020, 12:10 pm"},

"PROJECT":{"PROJECT_TITLE":"Influence of growth medium on the volatilomes of Pseudomonas spp. and Staphylococcus spp.","PROJECT_TYPE":"Untargeted MS","PROJECT_SUMMARY":"Pseudomonas aeruginosa and Staphylococcus aureus are the predominant opportunistic lung pathogens persons with CF [2017 CF Foundation Annual Report] and are leading causes of respiratory failure and mortality [Malhotra, et al. Clin Microbiol Rev, 2019]. Currently, sputum culture remains the standard of care for lung infection detection, but sputum production is on the decline due to improvements in CF therapies. To fill this diagnostic gap, we are working toward the development of breath tests for lung infections by characterizing the volatile metabolome (or “volatilome”) of P. aeruginosa and S. aureus. In this study, we explored the influence of growth medium on the volatilomes of two strains of P. aeruginosa (PAO1 and PA14) and S. aureus, as well as two other species from the same genera, S. epidermidis and P. chlororaphis. We hypothesized that the volatilomes would be influenced by the growth medium, but that biological differences between these species and strains would dominate the volatilomes and facilitate identification.","INSTITUTE":"Arizona State University","DEPARTMENT":"School of Life Sciences","LABORATORY":"Heather D. Bean Lab","LAST_NAME":"Bean, Ph.D.","FIRST_NAME":"Heather","ADDRESS":"PO Box 874501 Tempe, AZ 85287","EMAIL":"heather.d.bean@asu.edu","PHONE":"480-727-3395","PUBLICATIONS":"Jenkins, C. L., H. D. Bean (2020). Influence of media on the differentiation of Staphylococcus spp. by volatile compounds. Journal of breath research 14, 016007 doi:10.1088/1752-7163/ab3e9d"},

"STUDY":{"STUDY_TITLE":"Dependence of the Staphylococcal Volatilome Composition on Microbial Nutrition","STUDY_TYPE":"Untargeted MS","STUDY_SUMMARY":"Introduction: In vitro cultivation of staphylococci is fundamental to both clinical and research microbiology, and selection of growth medium will substantially influence staph growth rates, genetic integrity, pathogenicity, and metabolic capacity. Few studies, to-date, have investigated how the differences in rich media can influence the volatilome of cultivated bacteria. Objectives: The objective of this study was to determine the influence of rich media composition on the chemical characteristics of the volatilomes of Staphylococcus aureus and S. epidermidis. Methods: S. aureus (ATCC 12600) and S. epidermidis (ATCC 12228) were cultured in triplicate in four rich complex media (BHI, LB, MHB, and TSB), and the volatile metabolites produced by each culture were analyzed using headspace solid-phase microextraction combined with comprehensive two-dimensional gas chromatography – time-of-flight mass spectrometry (HS-SPME-GC×GC-TOFMS). Results: When comparing the chemical compositions of the staph volatilomes produced in each medium, we observed few differences when the presence versus absence of volatiles were compared. However, when the relative abundances of volatiles were included in the analyses, we observed that culturing staph in media containing free glucose (BHI and TSB) resulted in volatilomes dominated by acids and esters (67%). The low-glucose media (LB and MHB) produced ketones in greatest relative abundances, but the volatilome compositions in these two media were highly dissimilar. Conclusion: The staphylococcal volatilome is strongly influenced by the nutritional composition of the growth medium, especially the availability of free glucose, which is much more evident when the relative abundances of the volatiles are analyzed, compared to the presence versus absence.","INSTITUTE":"Arizona State University","DEPARTMENT":"School of Life Sciences","LABORATORY":"Heather D. Bean Lab","LAST_NAME":"Bean, Ph.D.","FIRST_NAME":"Heather","ADDRESS":"PO Box 874501 Tempe, AZ 85287","EMAIL":"heather.d.bean@asu.edu","PHONE":"4807273395","STUDY_COMMENTS":"Staphylococcus aureus (ATCC 12600) and Stpahylococcus epidermidis (ATCC 12228) grown in four complex media","PUBLICATIONS":"Jenkins, C. L., H. D. Bean (2020). Influence of media on the differentiation of Staphylococcus spp. by volatile compounds. Journal of breath research 14, 016007 doi:10.1088/1752-7163/ab3e9d"},

"SUBJECT":{"SUBJECT_TYPE":"Bacteria","SUBJECT_SPECIES":"Staphylococcus epidermidis","TAXONOMY_ID":"1282","GENOTYPE_STRAIN":"ATCC 12600; ATCC 12228","CELL_BIOSOURCE_OR_SUPPLIER":"ATCC","CELL_STRAIN_DETAILS":"ATCC 12600; ATCC 12228"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Media",
"Sample ID":"MediaBlank1_BHI_1",
"Factors":{"Treatment":"BLANK","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank1_BHI_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank1_BHI_2",
"Factors":{"Treatment":"BLANK","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank1_BHI_2.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank1_BHI_3",
"Factors":{"Treatment":"BLANK","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank1_BHI_3.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank1_LB_1",
"Factors":{"Treatment":"BLANK","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank1_LB_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank1_LB_2",
"Factors":{"Treatment":"BLANK","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank1_LB_2.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank1_LB_3",
"Factors":{"Treatment":"BLANK","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank1_LB_3.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank1_MH_1",
"Factors":{"Treatment":"BLANK","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank1_MH_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank1_MH_2",
"Factors":{"Treatment":"BLANK","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank1_MH_2.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank1_MH_3",
"Factors":{"Treatment":"BLANK","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank1_MH_3.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank1_TSB_1",
"Factors":{"Treatment":"BLANK","Culture Medium":"TSB"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank1_TSB_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank1_TSB_2",
"Factors":{"Treatment":"BLANK","Culture Medium":"TSB"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank1_TSB_2.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank1_TSB_3",
"Factors":{"Treatment":"BLANK","Culture Medium":"TSB"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank1_TSB_3.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank2_BHI_1",
"Factors":{"Treatment":"BLANK","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank2_BHI_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank2_BHI_2",
"Factors":{"Treatment":"BLANK","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank2_BHI_2.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank2_BHI_3",
"Factors":{"Treatment":"BLANK","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank2_BHI_3.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank2_LB_1",
"Factors":{"Treatment":"BLANK","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank2_LB_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank2_LB_2",
"Factors":{"Treatment":"BLANK","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank2_LB_2.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank2_LB_3",
"Factors":{"Treatment":"BLANK","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank2_LB_3.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank2_MH_1",
"Factors":{"Treatment":"BLANK","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank2_MH_1.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank2_MH_2",
"Factors":{"Treatment":"BLANK","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank2_MH_2.SMP"}
},
{
"Subject ID":"Media",
"Sample ID":"MediaBlank2_MH_3",
"Factors":{"Treatment":"BLANK","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"MediaBlank2_MH_3.SMP"}
},
{
"Subject ID":"PA01",
"Sample ID":"PA01_BHI_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA01_BHI_1.SMP"}
},
{
"Subject ID":"PA01",
"Sample ID":"PA01_BHI_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA01_BHI_2.SMP"}
},
{
"Subject ID":"PA01",
"Sample ID":"PA01_BHI_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA01_BHI_3.SMP"}
},
{
"Subject ID":"PA01",
"Sample ID":"PA01_LB_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA01_LB_1.SMP"}
},
{
"Subject ID":"PA01",
"Sample ID":"PA01_LB_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA01_LB_2.SMP"}
},
{
"Subject ID":"PA01",
"Sample ID":"PA01_LB_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA01_LB_3.SMP"}
},
{
"Subject ID":"PA01",
"Sample ID":"PA01_MH_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA01_MH_1.SMP"}
},
{
"Subject ID":"PA01",
"Sample ID":"PA01_MH_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA01_MH_2.SMP"}
},
{
"Subject ID":"PA01",
"Sample ID":"PA01_MH_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA01_MH_3.SMP"}
},
{
"Subject ID":"PA14",
"Sample ID":"PA14_BHI_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA14_BHI_1.SMP"}
},
{
"Subject ID":"PA14",
"Sample ID":"PA14_BHI_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA14_BHI_2.SMP"}
},
{
"Subject ID":"PA14",
"Sample ID":"PA14_BHI_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA14_BHI_3.SMP"}
},
{
"Subject ID":"PA14",
"Sample ID":"PA14_LB_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA14_LB_1.SMP"}
},
{
"Subject ID":"PA14",
"Sample ID":"PA14_LB_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA14_LB_2.SMP"}
},
{
"Subject ID":"PA14",
"Sample ID":"PA14_LB_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA14_LB_3.SMP"}
},
{
"Subject ID":"PA14",
"Sample ID":"PA14_MH_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA14_MH_1.SMP"}
},
{
"Subject ID":"PA14",
"Sample ID":"PA14_MH_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA14_MH_2.SMP"}
},
{
"Subject ID":"PA14",
"Sample ID":"PA14_MH_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"PA14_MH_3.SMP"}
},
{
"Subject ID":"Pcl",
"Sample ID":"Pcl_BHI_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Pcl_BHI_1.SMP"}
},
{
"Subject ID":"Pcl",
"Sample ID":"Pcl_BHI_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Pcl_BHI_2.SMP"}
},
{
"Subject ID":"Pcl",
"Sample ID":"Pcl_BHI_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Pcl_BHI_3.SMP"}
},
{
"Subject ID":"Pcl",
"Sample ID":"Pcl_LB_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Pcl_LB_1.SMP"}
},
{
"Subject ID":"Pcl",
"Sample ID":"Pcl_LB_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Pcl_LB_2.SMP"}
},
{
"Subject ID":"Pcl",
"Sample ID":"Pcl_LB_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Pcl_LB_3.SMP"}
},
{
"Subject ID":"Pcl",
"Sample ID":"Pcl_MH_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Pcl_MH_1.SMP"}
},
{
"Subject ID":"Pcl",
"Sample ID":"Pcl_MH_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Pcl_MH_2.SMP"}
},
{
"Subject ID":"Pcl",
"Sample ID":"Pcl_MH_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Pcl_MH_3.SMP"}
},
{
"Subject ID":"Sa",
"Sample ID":"Staphau_BHI_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphau_BHI_1.SMP"}
},
{
"Subject ID":"Sa",
"Sample ID":"Staphau_BHI_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphau_BHI_2.SMP"}
},
{
"Subject ID":"Sa",
"Sample ID":"Staphau_BHI_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphau_BHI_3.SMP"}
},
{
"Subject ID":"Sa",
"Sample ID":"Staphau_LB_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphau_LB_1.SMP"}
},
{
"Subject ID":"Sa",
"Sample ID":"Staphau_LB_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphau_LB_2.SMP"}
},
{
"Subject ID":"Sa",
"Sample ID":"Staphau_LB_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphau_LB_3.SMP"}
},
{
"Subject ID":"Sa",
"Sample ID":"Staphau_MH_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphau_MH_1.SMP"}
},
{
"Subject ID":"Sa",
"Sample ID":"Staphau_MH_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphau_MH_2.SMP"}
},
{
"Subject ID":"Sa",
"Sample ID":"Staphau_MH_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphau_MH_3.SMP"}
},
{
"Subject ID":"Sa",
"Sample ID":"Staphau_TSB_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"TSB"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphau TSB 1.SMP"}
},
{
"Subject ID":"Sa",
"Sample ID":"Staphau_TSB_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"TSB"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphau_TSB_2.SMP"}
},
{
"Subject ID":"Sa",
"Sample ID":"Staphau_TSB_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"TSB"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphau TSB 3.SMP"}
},
{
"Subject ID":"Se",
"Sample ID":"Staphep_BHI_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphep_BHI_1.SMP"}
},
{
"Subject ID":"Se",
"Sample ID":"Staphep_BHI_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphep_BHI_2.SMP"}
},
{
"Subject ID":"Se",
"Sample ID":"Staphep_BHI_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"BHI"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphep_BHI_3.SMP"}
},
{
"Subject ID":"Se",
"Sample ID":"Staphep_LB_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphep_LB_1.SMP"}
},
{
"Subject ID":"Se",
"Sample ID":"Staphep_LB_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphep_LB_2.SMP"}
},
{
"Subject ID":"Se",
"Sample ID":"Staphep_LB_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"LB_LENNOX"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphep_LB_3.SMP"}
},
{
"Subject ID":"Se",
"Sample ID":"Staphep_MH_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphep_MH_1.SMP"}
},
{
"Subject ID":"Se",
"Sample ID":"Staphep_MH_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphep_MH_2.SMP"}
},
{
"Subject ID":"Se",
"Sample ID":"Staphep_MH_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"MUELLER-HINTON"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphep_MH_3.SMP"}
},
{
"Subject ID":"Se",
"Sample ID":"Staphep_TSB_1",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"TSB"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphep_TSB_1.SMP"}
},
{
"Subject ID":"Se",
"Sample ID":"Staphep_TSB_2",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"TSB"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphep_TSB_2.SMP"}
},
{
"Subject ID":"Se",
"Sample ID":"Staphep_TSB_3",
"Factors":{"Treatment":"MEDIUM","Culture Medium":"TSB"},
"Additional sample data":{"Culture Time":"24","RAW_FILE_NAME":"Staphep_TSB_3.SMP"}
},
{
"Subject ID":"Alkane mixture",
"Sample ID":"KIMix_1",
"Factors":{"Treatment":"Chemical Standards","Culture Medium":"none"},
"Additional sample data":{"Culture Time":"-","RAW_FILE_NAME":"KIMix_1_.SMP"}
},
{
"Subject ID":"Alkane mixture",
"Sample ID":"KIMix_2",
"Factors":{"Treatment":"Chemical Standards","Culture Medium":"none"},
"Additional sample data":{"Culture Time":"-","RAW_FILE_NAME":"KIMix_2_.SMP"}
},
{
"Subject ID":"Alkane mixture",
"Sample ID":"KIMix_3",
"Factors":{"Treatment":"Chemical Standards","Culture Medium":"none"},
"Additional sample data":{"Culture Time":"-","RAW_FILE_NAME":"KIMix_3_.SMP"}
},
{
"Subject ID":"Empty sampling vial",
"Sample ID":"Vial-Blank_1",
"Factors":{"Treatment":"Vial Blank","Culture Medium":"none"},
"Additional sample data":{"Culture Time":"-","RAW_FILE_NAME":"Vial-Blank_1.SMP"}
},
{
"Subject ID":"Empty sampling vial",
"Sample ID":"VIAL_BLANK_1",
"Factors":{"Treatment":"Vial Blank","Culture Medium":"none"},
"Additional sample data":{"Culture Time":"-","RAW_FILE_NAME":"VIAL_BLANK_1"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Staphylococcus aureus (ATCC 12600) and Staphylococcus epidermidis (ATCC 12228) were cultured in four filter-sterilized complex media for metabolomics analysis: Brain Heart Infusion broth (BHI; Bacto); lysogeny broth Lennox (LB; Fisher Scientific); Mueller Hinton broth (MHB; Difco); and Tryptic Soy broth (TSB; Bacto). Each species was prepared in biological triplicate. Uninoculated media control blanks were prepared in six replicates for BHI, LB, and MHB, and in triplicate for TSB, following the same procedures as the bacterial samples and processed in parallel. Samples were transferred to capped GC vials and stored at -20 °C for approximately two weeks prior to GC×GC-TOFMS analysis.","COLLECTION_PROTOCOL_FILENAME":"CLJenkins1210_2020713_134751_Collection_Protocol_Metadata.txt","SAMPLE_TYPE":"Bacterial cells","COLLECTION_FREQUENCY":"Once, at the completion of 24 hour aerobic incubation at 37 C with orbital shaking"},

"TREATMENT":{"TREATMENT_SUMMARY":"Two ATCC strains of staphylococci were grown in four different filter-sterilized complex media under identical conditions. Please see the Collection Protocol for details.","CELL_MEDIA":"BHI Broth, LB Lennox, Mueller Hinton Broth, Tryptic Soy Broth"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"No sample preparation was required due to sampling via Head-Space Solid-phase microextraction by autosampler robot."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Comprehensive two-dimensional gas chromatography with multi-dimensional column configuration","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":"none","MS_RESULTS_FILE":"ST001426_AN002384_Results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Seconds"}

}