#METABOLOMICS WORKBENCH CLJenkins1219_20200713_134751 DATATRACK_ID:2095 STUDY_ID:ST001426 ANALYSIS_ID:AN002384 PROJECT_ID:PR000978
VERSION             	1
CREATED_ON             	July 14, 2020, 12:10 pm
#PROJECT
PR:PROJECT_TITLE                 	Influence of growth medium on the volatilomes of Pseudomonas spp. and
PR:PROJECT_TITLE                 	Staphylococcus spp.
PR:PROJECT_TYPE                  	Untargeted MS
PR:PROJECT_SUMMARY               	Pseudomonas aeruginosa and Staphylococcus aureus are the predominant
PR:PROJECT_SUMMARY               	opportunistic lung pathogens persons with CF [2017 CF Foundation Annual Report]
PR:PROJECT_SUMMARY               	and are leading causes of respiratory failure and mortality [Malhotra, et al.
PR:PROJECT_SUMMARY               	Clin Microbiol Rev, 2019]. Currently, sputum culture remains the standard of
PR:PROJECT_SUMMARY               	care for lung infection detection, but sputum production is on the decline due
PR:PROJECT_SUMMARY               	to improvements in CF therapies. To fill this diagnostic gap, we are working
PR:PROJECT_SUMMARY               	toward the development of breath tests for lung infections by characterizing the
PR:PROJECT_SUMMARY               	volatile metabolome (or “volatilome”) of P. aeruginosa and S. aureus. In
PR:PROJECT_SUMMARY               	this study, we explored the influence of growth medium on the volatilomes of two
PR:PROJECT_SUMMARY               	strains of P. aeruginosa (PAO1 and PA14) and S. aureus, as well as two other
PR:PROJECT_SUMMARY               	species from the same genera, S. epidermidis and P. chlororaphis. We
PR:PROJECT_SUMMARY               	hypothesized that the volatilomes would be influenced by the growth medium, but
PR:PROJECT_SUMMARY               	that biological differences between these species and strains would dominate the
PR:PROJECT_SUMMARY               	volatilomes and facilitate identification.
PR:INSTITUTE                     	Arizona State University
PR:DEPARTMENT                    	School of Life Sciences
PR:LABORATORY                    	Heather D. Bean Lab
PR:LAST_NAME                     	Bean, Ph.D.
PR:FIRST_NAME                    	Heather
PR:ADDRESS                       	PO Box 874501 Tempe, AZ 85287
PR:EMAIL                         	heather.d.bean@asu.edu
PR:PHONE                         	480-727-3395
PR:PUBLICATIONS                  	Jenkins, C. L., H. D. Bean (2020). Influence of media on the differentiation of
PR:PUBLICATIONS                  	Staphylococcus spp. by volatile compounds. Journal of breath research 14, 016007
PR:PUBLICATIONS                  	doi:10.1088/1752-7163/ab3e9d
#STUDY
ST:STUDY_TITLE                   	Dependence of the Staphylococcal Volatilome Composition on Microbial Nutrition
ST:STUDY_TYPE                    	Untargeted MS
ST:STUDY_SUMMARY                 	Introduction: In vitro cultivation of staphylococci is fundamental to both
ST:STUDY_SUMMARY                 	clinical and research microbiology, and selection of growth medium will
ST:STUDY_SUMMARY                 	substantially influence staph growth rates, genetic integrity, pathogenicity,
ST:STUDY_SUMMARY                 	and metabolic capacity. Few studies, to-date, have investigated how the
ST:STUDY_SUMMARY                 	differences in rich media can influence the volatilome of cultivated bacteria.
ST:STUDY_SUMMARY                 	Objectives: The objective of this study was to determine the influence of rich
ST:STUDY_SUMMARY                 	media composition on the chemical characteristics of the volatilomes of
ST:STUDY_SUMMARY                 	Staphylococcus aureus and S. epidermidis. Methods: S. aureus (ATCC 12600) and S.
ST:STUDY_SUMMARY                 	epidermidis (ATCC 12228) were cultured in triplicate in four rich complex media
ST:STUDY_SUMMARY                 	(BHI, LB, MHB, and TSB), and the volatile metabolites produced by each culture
ST:STUDY_SUMMARY                 	were analyzed using headspace solid-phase microextraction combined with
ST:STUDY_SUMMARY                 	comprehensive two-dimensional gas chromatography – time-of-flight mass
ST:STUDY_SUMMARY                 	spectrometry (HS-SPME-GC×GC-TOFMS). Results: When comparing the chemical
ST:STUDY_SUMMARY                 	compositions of the staph volatilomes produced in each medium, we observed few
ST:STUDY_SUMMARY                 	differences when the presence versus absence of volatiles were compared.
ST:STUDY_SUMMARY                 	However, when the relative abundances of volatiles were included in the
ST:STUDY_SUMMARY                 	analyses, we observed that culturing staph in media containing free glucose (BHI
ST:STUDY_SUMMARY                 	and TSB) resulted in volatilomes dominated by acids and esters (67%). The
ST:STUDY_SUMMARY                 	low-glucose media (LB and MHB) produced ketones in greatest relative abundances,
ST:STUDY_SUMMARY                 	but the volatilome compositions in these two media were highly dissimilar.
ST:STUDY_SUMMARY                 	Conclusion: The staphylococcal volatilome is strongly influenced by the
ST:STUDY_SUMMARY                 	nutritional composition of the growth medium, especially the availability of
ST:STUDY_SUMMARY                 	free glucose, which is much more evident when the relative abundances of the
ST:STUDY_SUMMARY                 	volatiles are analyzed, compared to the presence versus absence.
ST:INSTITUTE                     	Arizona State University
ST:DEPARTMENT                    	School of Life Sciences
ST:LABORATORY                    	Heather D. Bean Lab
ST:LAST_NAME                     	Bean, Ph.D.
ST:FIRST_NAME                    	Heather
ST:ADDRESS                       	PO Box 874501 Tempe, AZ 85287
ST:EMAIL                         	heather.d.bean@asu.edu
ST:PHONE                         	4807273395
ST:STUDY_COMMENTS                	Staphylococcus aureus (ATCC 12600) and Stpahylococcus epidermidis (ATCC 12228)
ST:STUDY_COMMENTS                	grown in four complex media
ST:PUBLICATIONS                  	Jenkins, C. L., H. D. Bean (2020). Influence of media on the differentiation of
ST:PUBLICATIONS                  	Staphylococcus spp. by volatile compounds. Journal of breath research 14, 016007
ST:PUBLICATIONS                  	doi:10.1088/1752-7163/ab3e9d
#SUBJECT
SU:SUBJECT_TYPE                  	Bacteria
SU:SUBJECT_SPECIES               	Staphylococcus epidermidis
SU:TAXONOMY_ID                   	1282
SU:GENOTYPE_STRAIN               	ATCC 12600; ATCC 12228
SU:CELL_BIOSOURCE_OR_SUPPLIER    	ATCC
SU:CELL_STRAIN_DETAILS           	ATCC 12600; ATCC 12228
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank1_BHI_1	Treatment:BLANK | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=MediaBlank1_BHI_1.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank1_BHI_2	Treatment:BLANK | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=MediaBlank1_BHI_2.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank1_BHI_3	Treatment:BLANK | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=MediaBlank1_BHI_3.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank1_LB_1	Treatment:BLANK | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=MediaBlank1_LB_1.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank1_LB_2	Treatment:BLANK | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=MediaBlank1_LB_2.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank1_LB_3	Treatment:BLANK | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=MediaBlank1_LB_3.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank1_MH_1	Treatment:BLANK | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=MediaBlank1_MH_1.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank1_MH_2	Treatment:BLANK | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=MediaBlank1_MH_2.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank1_MH_3	Treatment:BLANK | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=MediaBlank1_MH_3.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank1_TSB_1	Treatment:BLANK | Culture Medium:TSB	Culture Time=24; RAW_FILE_NAME=MediaBlank1_TSB_1.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank1_TSB_2	Treatment:BLANK | Culture Medium:TSB	Culture Time=24; RAW_FILE_NAME=MediaBlank1_TSB_2.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank1_TSB_3	Treatment:BLANK | Culture Medium:TSB	Culture Time=24; RAW_FILE_NAME=MediaBlank1_TSB_3.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank2_BHI_1	Treatment:BLANK | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=MediaBlank2_BHI_1.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank2_BHI_2	Treatment:BLANK | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=MediaBlank2_BHI_2.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank2_BHI_3	Treatment:BLANK | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=MediaBlank2_BHI_3.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank2_LB_1	Treatment:BLANK | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=MediaBlank2_LB_1.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank2_LB_2	Treatment:BLANK | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=MediaBlank2_LB_2.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank2_LB_3	Treatment:BLANK | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=MediaBlank2_LB_3.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank2_MH_1	Treatment:BLANK | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=MediaBlank2_MH_1.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank2_MH_2	Treatment:BLANK | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=MediaBlank2_MH_2.SMP
SUBJECT_SAMPLE_FACTORS           	Media	MediaBlank2_MH_3	Treatment:BLANK | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=MediaBlank2_MH_3.SMP
SUBJECT_SAMPLE_FACTORS           	PA01	PA01_BHI_1	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=PA01_BHI_1.SMP
SUBJECT_SAMPLE_FACTORS           	PA01	PA01_BHI_2	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=PA01_BHI_2.SMP
SUBJECT_SAMPLE_FACTORS           	PA01	PA01_BHI_3	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=PA01_BHI_3.SMP
SUBJECT_SAMPLE_FACTORS           	PA01	PA01_LB_1	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=PA01_LB_1.SMP
SUBJECT_SAMPLE_FACTORS           	PA01	PA01_LB_2	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=PA01_LB_2.SMP
SUBJECT_SAMPLE_FACTORS           	PA01	PA01_LB_3	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=PA01_LB_3.SMP
SUBJECT_SAMPLE_FACTORS           	PA01	PA01_MH_1	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=PA01_MH_1.SMP
SUBJECT_SAMPLE_FACTORS           	PA01	PA01_MH_2	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=PA01_MH_2.SMP
SUBJECT_SAMPLE_FACTORS           	PA01	PA01_MH_3	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=PA01_MH_3.SMP
SUBJECT_SAMPLE_FACTORS           	PA14	PA14_BHI_1	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=PA14_BHI_1.SMP
SUBJECT_SAMPLE_FACTORS           	PA14	PA14_BHI_2	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=PA14_BHI_2.SMP
SUBJECT_SAMPLE_FACTORS           	PA14	PA14_BHI_3	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=PA14_BHI_3.SMP
SUBJECT_SAMPLE_FACTORS           	PA14	PA14_LB_1	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=PA14_LB_1.SMP
SUBJECT_SAMPLE_FACTORS           	PA14	PA14_LB_2	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=PA14_LB_2.SMP
SUBJECT_SAMPLE_FACTORS           	PA14	PA14_LB_3	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=PA14_LB_3.SMP
SUBJECT_SAMPLE_FACTORS           	PA14	PA14_MH_1	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=PA14_MH_1.SMP
SUBJECT_SAMPLE_FACTORS           	PA14	PA14_MH_2	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=PA14_MH_2.SMP
SUBJECT_SAMPLE_FACTORS           	PA14	PA14_MH_3	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=PA14_MH_3.SMP
SUBJECT_SAMPLE_FACTORS           	Pcl	Pcl_BHI_1	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=Pcl_BHI_1.SMP
SUBJECT_SAMPLE_FACTORS           	Pcl	Pcl_BHI_2	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=Pcl_BHI_2.SMP
SUBJECT_SAMPLE_FACTORS           	Pcl	Pcl_BHI_3	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=Pcl_BHI_3.SMP
SUBJECT_SAMPLE_FACTORS           	Pcl	Pcl_LB_1	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=Pcl_LB_1.SMP
SUBJECT_SAMPLE_FACTORS           	Pcl	Pcl_LB_2	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=Pcl_LB_2.SMP
SUBJECT_SAMPLE_FACTORS           	Pcl	Pcl_LB_3	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=Pcl_LB_3.SMP
SUBJECT_SAMPLE_FACTORS           	Pcl	Pcl_MH_1	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=Pcl_MH_1.SMP
SUBJECT_SAMPLE_FACTORS           	Pcl	Pcl_MH_2	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=Pcl_MH_2.SMP
SUBJECT_SAMPLE_FACTORS           	Pcl	Pcl_MH_3	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=Pcl_MH_3.SMP
SUBJECT_SAMPLE_FACTORS           	Sa	Staphau_BHI_1	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=Staphau_BHI_1.SMP
SUBJECT_SAMPLE_FACTORS           	Sa	Staphau_BHI_2	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=Staphau_BHI_2.SMP
SUBJECT_SAMPLE_FACTORS           	Sa	Staphau_BHI_3	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=Staphau_BHI_3.SMP
SUBJECT_SAMPLE_FACTORS           	Sa	Staphau_LB_1	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=Staphau_LB_1.SMP
SUBJECT_SAMPLE_FACTORS           	Sa	Staphau_LB_2	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=Staphau_LB_2.SMP
SUBJECT_SAMPLE_FACTORS           	Sa	Staphau_LB_3	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=Staphau_LB_3.SMP
SUBJECT_SAMPLE_FACTORS           	Sa	Staphau_MH_1	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=Staphau_MH_1.SMP
SUBJECT_SAMPLE_FACTORS           	Sa	Staphau_MH_2	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=Staphau_MH_2.SMP
SUBJECT_SAMPLE_FACTORS           	Sa	Staphau_MH_3	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=Staphau_MH_3.SMP
SUBJECT_SAMPLE_FACTORS           	Sa	Staphau_TSB_1	Treatment:MEDIUM | Culture Medium:TSB	Culture Time=24; RAW_FILE_NAME=Staphau TSB 1.SMP
SUBJECT_SAMPLE_FACTORS           	Sa	Staphau_TSB_2	Treatment:MEDIUM | Culture Medium:TSB	Culture Time=24; RAW_FILE_NAME=Staphau_TSB_2.SMP
SUBJECT_SAMPLE_FACTORS           	Sa	Staphau_TSB_3	Treatment:MEDIUM | Culture Medium:TSB	Culture Time=24; RAW_FILE_NAME=Staphau TSB 3.SMP
SUBJECT_SAMPLE_FACTORS           	Se	Staphep_BHI_1	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=Staphep_BHI_1.SMP
SUBJECT_SAMPLE_FACTORS           	Se	Staphep_BHI_2	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=Staphep_BHI_2.SMP
SUBJECT_SAMPLE_FACTORS           	Se	Staphep_BHI_3	Treatment:MEDIUM | Culture Medium:BHI	Culture Time=24; RAW_FILE_NAME=Staphep_BHI_3.SMP
SUBJECT_SAMPLE_FACTORS           	Se	Staphep_LB_1	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=Staphep_LB_1.SMP
SUBJECT_SAMPLE_FACTORS           	Se	Staphep_LB_2	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=Staphep_LB_2.SMP
SUBJECT_SAMPLE_FACTORS           	Se	Staphep_LB_3	Treatment:MEDIUM | Culture Medium:LB_LENNOX	Culture Time=24; RAW_FILE_NAME=Staphep_LB_3.SMP
SUBJECT_SAMPLE_FACTORS           	Se	Staphep_MH_1	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=Staphep_MH_1.SMP
SUBJECT_SAMPLE_FACTORS           	Se	Staphep_MH_2	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=Staphep_MH_2.SMP
SUBJECT_SAMPLE_FACTORS           	Se	Staphep_MH_3	Treatment:MEDIUM | Culture Medium:MUELLER-HINTON	Culture Time=24; RAW_FILE_NAME=Staphep_MH_3.SMP
SUBJECT_SAMPLE_FACTORS           	Se	Staphep_TSB_1	Treatment:MEDIUM | Culture Medium:TSB	Culture Time=24; RAW_FILE_NAME=Staphep_TSB_1.SMP
SUBJECT_SAMPLE_FACTORS           	Se	Staphep_TSB_2	Treatment:MEDIUM | Culture Medium:TSB	Culture Time=24; RAW_FILE_NAME=Staphep_TSB_2.SMP
SUBJECT_SAMPLE_FACTORS           	Se	Staphep_TSB_3	Treatment:MEDIUM | Culture Medium:TSB	Culture Time=24; RAW_FILE_NAME=Staphep_TSB_3.SMP
SUBJECT_SAMPLE_FACTORS           	Alkane mixture	KIMix_1	Treatment:Chemical Standards | Culture Medium:none	Culture Time=-; RAW_FILE_NAME=KIMix_1_.SMP
SUBJECT_SAMPLE_FACTORS           	Alkane mixture	KIMix_2	Treatment:Chemical Standards | Culture Medium:none	Culture Time=-; RAW_FILE_NAME=KIMix_2_.SMP
SUBJECT_SAMPLE_FACTORS           	Alkane mixture	KIMix_3	Treatment:Chemical Standards | Culture Medium:none	Culture Time=-; RAW_FILE_NAME=KIMix_3_.SMP
SUBJECT_SAMPLE_FACTORS           	Empty sampling vial	Vial-Blank_1	Treatment:Vial Blank | Culture Medium:none	Culture Time=-; RAW_FILE_NAME=Vial-Blank_1.SMP
SUBJECT_SAMPLE_FACTORS           	Empty sampling vial	VIAL_BLANK_1	Treatment:Vial Blank | Culture Medium:none	Culture Time=-; RAW_FILE_NAME=VIAL_BLANK_1
#COLLECTION
CO:COLLECTION_SUMMARY            	Staphylococcus aureus (ATCC 12600) and Staphylococcus epidermidis (ATCC 12228)
CO:COLLECTION_SUMMARY            	were cultured in four filter-sterilized complex media for metabolomics analysis:
CO:COLLECTION_SUMMARY            	Brain Heart Infusion broth (BHI; Bacto); lysogeny broth Lennox (LB; Fisher
CO:COLLECTION_SUMMARY            	Scientific); Mueller Hinton broth (MHB; Difco); and Tryptic Soy broth (TSB;
CO:COLLECTION_SUMMARY            	Bacto). Each species was prepared in biological triplicate. Uninoculated media
CO:COLLECTION_SUMMARY            	control blanks were prepared in six replicates for BHI, LB, and MHB, and in
CO:COLLECTION_SUMMARY            	triplicate for TSB, following the same procedures as the bacterial samples and
CO:COLLECTION_SUMMARY            	processed in parallel. Samples were transferred to capped GC vials and stored at
CO:COLLECTION_SUMMARY            	-20 °C for approximately two weeks prior to GC×GC-TOFMS analysis.
CO:COLLECTION_PROTOCOL_FILENAME  	CLJenkins1210_2020713_134751_Collection_Protocol_Metadata.txt
CO:SAMPLE_TYPE                   	Bacterial cells
CO:COLLECTION_FREQUENCY          	Once, at the completion of 24 hour aerobic incubation at 37 C with orbital
CO:COLLECTION_FREQUENCY          	shaking
#TREATMENT
TR:TREATMENT_SUMMARY             	Two ATCC strains of staphylococci were grown in four different filter-sterilized
TR:TREATMENT_SUMMARY             	complex media under identical conditions. Please see the Collection Protocol for
TR:TREATMENT_SUMMARY             	details.
TR:CELL_MEDIA                    	BHI Broth, LB Lennox, Mueller Hinton Broth, Tryptic Soy Broth
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	No sample preparation was required due to sampling via Head-Space Solid-phase
SP:SAMPLEPREP_SUMMARY            	microextraction by autosampler robot.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Comprehensive two-dimensional gas chromatography with multi-dimensional column
CH:CHROMATOGRAPHY_SUMMARY        	configuration
CH:CHROMATOGRAPHY_TYPE           	GCxGC
CH:INSTRUMENT_NAME               	Agilent 7890B
CH:COLUMN_NAME                   	Multidimensional column configuration
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Leco Pegasus 4D GCxGC TOF
MS:INSTRUMENT_TYPE               	GC x GC-TOF
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	none
MS:MS_RESULTS_FILE               	ST001426_AN002384_Results.txt	UNITS:peak area	Has m/z:Yes	Has RT:Yes	RT units:Seconds
#END