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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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


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