Summary of Study ST001414

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench,, where it has been assigned Project ID PR000970. The data can be accessed directly via it's Project DOI: 10.21228/M89Q4F This work is supported by NIH grant, U2C- DK119886.


This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

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Study IDST001414
Study TitlePseudomonas aeruginosa cystic fibrosis clinical isolates volatile metabolomics
Study TypeUntargeted metabolomics
Study SummaryUntargeted 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.
Arizona State University
DepartmentSchool of Life Sciences
LaboratoryBean Laboratory
Last NameDavis
First NameTrenton
Address427 E Tyler Mall, LSE 317, Tempe, AZ, 85287
Submit Date2020-05-31
Raw Data AvailableYes
Raw Data File Type(s)smp
Analysis Type DetailGC-MS
Release Date2020-09-22
Release Version1
Trenton Davis Trenton Davis application/zip

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Project ID:PR000970
Project DOI:doi: 10.21228/M89Q4F
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


Subject ID:SU001488
Subject Type:Bacteria
Subject Species:Pseudomonas aeruginosa
Taxonomy ID:287
Cell Biosource Or Supplier:Seattle Children's Hospital Cystic Fibrosis Isolate Core


Subject type: Bacteria; Subject species: Pseudomonas aeruginosa (Factor headings shown in green)

mb_sample_id local_sample_id treatment
SA11598847-2 1 9_11_1bacteria
SA11598947-1 3 10_6_1bacteria
SA11599047-2 2 9_13_1bacteria
SA11599147-3 1 9_10_1bacteria
SA11599247-3 2 9_13_1bacteria
SA11599347-1 2 10_5__1bacteria
SA11599447-2 3 9_16_1bacteria
SA11599541-3 3 9_16_1bacteria
SA11599641-2 2 10_5__1bacteria
SA11599741-2 1 10_1_1bacteria
SA11599841-2 3 10_6_1bacteria
SA11599941-3 1 9_11_1bacteria
SA11600047-3 3 9_16_1bacteria
SA11600141-3 2 9_13_1bacteria
SA11600247-1 1 10_1_1bacteria
SA11600360-1 1 9_11_1bacteria
SA11600462-1 1 10_1_1bacteria
SA11600560-3 3 9_16_1bacteria
SA11600662-1 2 10_5_1bacteria
SA11600762-1 3 10_6_1bacteria
SA11600862-2 2 10_5_1bacteria
SA11600962-2 1 10_1_1bacteria
SA11601060-3 2 9_13_1bacteria
SA11601160-3 1 9_11_1bacteria
SA11601260-1 3 9_16_1bacteria
SA11601360-1 2 9_13_1bacteria
SA11601460-2 1 10_1_1bacteria
SA11601560-2 2 10_5_1bacteria
SA11601660-2 3 10_6_1bacteria
SA11601741-1 3 9_16_1bacteria
SA11601841-1 2 9_13_1bacteria
SA11601931-2 3 9_16_1bacteria
SA11602031-2 2 9_13_1bacteria
SA11602133-1 1 9_26_1bacteria
SA11602233-1 2 10_1_1bacteria
SA11602333-2 1 9_10_1bacteria
SA11602433-1 3 10_2_1bacteria
SA116025100-1 1 9_11_1bacteria
SA11602631-1 3 10_1_1bacteria
SA11602723-9 2 9_30__1bacteria
SA11602823-9 1 9_24_1bacteria
SA11602923-9 3 9_29_1bacteria
SA11603031-1 1 9_11_1bacteria
SA11603131-1 2 9_13_1bacteria
SA11603233-2 2 9_13_1bacteria
SA11603333-2 3 9_16_1bacteria
SA11603436-2 3 10_6_1bacteria
SA11603536-2 2 10_5_1bacteria
SA11603636-3 1 9_10_1bacteria
SA11603736-3 2 9_11_1bacteria
SA11603841-1 1 9_10_1bacteria
SA11603936-3 3 9_16_1bacteria
SA11604036-2 1 10_1_1bacteria
SA11604136-1 3 9_16_1bacteria
SA11604233-3 2 9_13_1bacteria
SA11604333-3 1 9_11_1bacteria
SA11604433-3 3 9_16_1bacteria
SA11604536-1 1 9_10_1bacteria
SA11604636-1 2 9_13_1bacteria
SA11604762-2 3 10_6_1bacteria
SA11604862-3 2 10_5__1bacteria
SA11604975-1 2 9_13_1bacteria
SA11605075-1 1 9_10_1bacteria
SA11605175-1 3 9_17_1bacteria
SA11605275-2 1 9_10_1bacteria
SA11605375-2 3 9_17_1bacteria
SA11605475-2 2 9_13_1bacteria
SA11605574-3 3 9_17_1bacteria
SA11605674-3 2 9_13_1bacteria
SA11605774-1 3 9_17_1bacteria
SA11605874-1 2 9_11_1bacteria
SA11605974-2 1 9_10_1bacteria
SA11606074-2 2 9_13_1bacteria
SA11606174-3 1 9_11_1bacteria
SA11606274-2 3 9_17_1bacteria
SA11606375-3 1 9_11_1bacteria
SA11606475-3 2 9_13_1bacteria
SA11606576-2 2 10_5__1bacteria
SA11606676-2 1 10_1_1bacteria
SA11606776-2 3 10_6_1bacteria
SA11606876-3 1 9_10_1bacteria
SA11606976-3 3 9_17_1bacteria
SA11607076-3 2 9_16_1bacteria
SA11607176-1 3 9_17_1bacteria
SA11607276-1 2 9_16_1bacteria
SA11607375-4 1 10_1_1bacteria
SA11607475-3 3 9_17_1bacteria
SA11607575-4 2 10_5_1bacteria
SA11607675-4 3 10_6_1bacteria
SA11607776-1 1 9_11_1bacteria
SA11607874-1 1 9_10_1bacteria
SA11607973-3 3 10_6_1bacteria
SA11608066-3 1 9_11_1bacteria
SA11608166-2 3 9_16_1bacteria
SA11608266-3 2 9_13_1bacteria
SA11608366-3 3 9_16_1bacteria
SA11608471-1 2 9_11_1bacteria
SA11608571-1 1 9_10_1bacteria
SA11608666-2 2 9_13_1bacteria
SA11608766-2 1 9_11_1bacteria
Showing page 1 of 3     Results:    1  2  3  Next     Showing results 1 to 100 of 258


Collection ID:CO001483
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 ID:TR001503
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 ┬Ám filter to remove cells, and filtrates were transferred to GC headspace vials.

Sample Preparation:

Sampleprep ID:SP001496
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)

Combined analysis:

Analysis ID AN002364
Analysis type MS
Chromatography type GC
Chromatography system Agilent 7890B
Column Multidimensional configuration
MS Type EI
MS instrument type GC x GC-TOF
MS instrument name Leco Pegasus 4D GCxGC TOF
Units Peak area


Chromatography ID:CH001734
Chromatography Summary:Samples analyzed using comprehensive two-dimensional gas chromatography (GCxGC). See attached method file.
Methods Filename:tjdavi18_PR_CH_gcxgc_method.docx
Instrument Name:Agilent 7890B
Column Name:Multidimensional configuration
Chromatography Type:GC


MS ID:MS002206
Analysis ID:AN002364
Instrument Name:Leco Pegasus 4D GCxGC TOF
Instrument Type:GC x GC-TOF
MS Type:EI
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