Summary of Study ST001414
This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, 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.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
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.
Study ID | ST001414 |
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 |
Trenton.J.Davis@asu.edu | |
Phone | 5738235718 |
Submit Date | 2020-05-31 |
Raw Data Available | Yes |
Raw Data File Type(s) | smp |
Analysis Type Detail | GC-MS |
Release Date | 2020-09-22 |
Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Project:
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 |
Email: | Trenton.J.Davis@asu.edu |
Phone: | 5738235718 |
Subject:
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 |
Factors:
Subject type: Bacteria; Subject species: Pseudomonas aeruginosa (Factor headings shown in green)
mb_sample_id | local_sample_id | treatment |
---|---|---|
SA115988 | 47-2 1 9_11_1 | bacteria |
SA115989 | 47-1 3 10_6_1 | bacteria |
SA115990 | 47-2 2 9_13_1 | bacteria |
SA115991 | 47-3 1 9_10_1 | bacteria |
SA115992 | 47-3 2 9_13_1 | bacteria |
SA115993 | 47-1 2 10_5__1 | bacteria |
SA115994 | 47-2 3 9_16_1 | bacteria |
SA115995 | 41-3 3 9_16_1 | bacteria |
SA115996 | 41-2 2 10_5__1 | bacteria |
SA115997 | 41-2 1 10_1_1 | bacteria |
SA115998 | 41-2 3 10_6_1 | bacteria |
SA115999 | 41-3 1 9_11_1 | bacteria |
SA116000 | 47-3 3 9_16_1 | bacteria |
SA116001 | 41-3 2 9_13_1 | bacteria |
SA116002 | 47-1 1 10_1_1 | bacteria |
SA116003 | 60-1 1 9_11_1 | bacteria |
SA116004 | 62-1 1 10_1_1 | bacteria |
SA116005 | 60-3 3 9_16_1 | bacteria |
SA116006 | 62-1 2 10_5_1 | bacteria |
SA116007 | 62-1 3 10_6_1 | bacteria |
SA116008 | 62-2 2 10_5_1 | bacteria |
SA116009 | 62-2 1 10_1_1 | bacteria |
SA116010 | 60-3 2 9_13_1 | bacteria |
SA116011 | 60-3 1 9_11_1 | bacteria |
SA116012 | 60-1 3 9_16_1 | bacteria |
SA116013 | 60-1 2 9_13_1 | bacteria |
SA116014 | 60-2 1 10_1_1 | bacteria |
SA116015 | 60-2 2 10_5_1 | bacteria |
SA116016 | 60-2 3 10_6_1 | bacteria |
SA116017 | 41-1 3 9_16_1 | bacteria |
SA116018 | 41-1 2 9_13_1 | bacteria |
SA116019 | 31-2 3 9_16_1 | bacteria |
SA116020 | 31-2 2 9_13_1 | bacteria |
SA116021 | 33-1 1 9_26_1 | bacteria |
SA116022 | 33-1 2 10_1_1 | bacteria |
SA116023 | 33-2 1 9_10_1 | bacteria |
SA116024 | 33-1 3 10_2_1 | bacteria |
SA116025 | 100-1 1 9_11_1 | bacteria |
SA116026 | 31-1 3 10_1_1 | bacteria |
SA116027 | 23-9 2 9_30__1 | bacteria |
SA116028 | 23-9 1 9_24_1 | bacteria |
SA116029 | 23-9 3 9_29_1 | bacteria |
SA116030 | 31-1 1 9_11_1 | bacteria |
SA116031 | 31-1 2 9_13_1 | bacteria |
SA116032 | 33-2 2 9_13_1 | bacteria |
SA116033 | 33-2 3 9_16_1 | bacteria |
SA116034 | 36-2 3 10_6_1 | bacteria |
SA116035 | 36-2 2 10_5_1 | bacteria |
SA116036 | 36-3 1 9_10_1 | bacteria |
SA116037 | 36-3 2 9_11_1 | bacteria |
SA116038 | 41-1 1 9_10_1 | bacteria |
SA116039 | 36-3 3 9_16_1 | bacteria |
SA116040 | 36-2 1 10_1_1 | bacteria |
SA116041 | 36-1 3 9_16_1 | bacteria |
SA116042 | 33-3 2 9_13_1 | bacteria |
SA116043 | 33-3 1 9_11_1 | bacteria |
SA116044 | 33-3 3 9_16_1 | bacteria |
SA116045 | 36-1 1 9_10_1 | bacteria |
SA116046 | 36-1 2 9_13_1 | bacteria |
SA116047 | 62-2 3 10_6_1 | bacteria |
SA116048 | 62-3 2 10_5__1 | bacteria |
SA116049 | 75-1 2 9_13_1 | bacteria |
SA116050 | 75-1 1 9_10_1 | bacteria |
SA116051 | 75-1 3 9_17_1 | bacteria |
SA116052 | 75-2 1 9_10_1 | bacteria |
SA116053 | 75-2 3 9_17_1 | bacteria |
SA116054 | 75-2 2 9_13_1 | bacteria |
SA116055 | 74-3 3 9_17_1 | bacteria |
SA116056 | 74-3 2 9_13_1 | bacteria |
SA116057 | 74-1 3 9_17_1 | bacteria |
SA116058 | 74-1 2 9_11_1 | bacteria |
SA116059 | 74-2 1 9_10_1 | bacteria |
SA116060 | 74-2 2 9_13_1 | bacteria |
SA116061 | 74-3 1 9_11_1 | bacteria |
SA116062 | 74-2 3 9_17_1 | bacteria |
SA116063 | 75-3 1 9_11_1 | bacteria |
SA116064 | 75-3 2 9_13_1 | bacteria |
SA116065 | 76-2 2 10_5__1 | bacteria |
SA116066 | 76-2 1 10_1_1 | bacteria |
SA116067 | 76-2 3 10_6_1 | bacteria |
SA116068 | 76-3 1 9_10_1 | bacteria |
SA116069 | 76-3 3 9_17_1 | bacteria |
SA116070 | 76-3 2 9_16_1 | bacteria |
SA116071 | 76-1 3 9_17_1 | bacteria |
SA116072 | 76-1 2 9_16_1 | bacteria |
SA116073 | 75-4 1 10_1_1 | bacteria |
SA116074 | 75-3 3 9_17_1 | bacteria |
SA116075 | 75-4 2 10_5_1 | bacteria |
SA116076 | 75-4 3 10_6_1 | bacteria |
SA116077 | 76-1 1 9_11_1 | bacteria |
SA116078 | 74-1 1 9_10_1 | bacteria |
SA116079 | 73-3 3 10_6_1 | bacteria |
SA116080 | 66-3 1 9_11_1 | bacteria |
SA116081 | 66-2 3 9_16_1 | bacteria |
SA116082 | 66-3 2 9_13_1 | bacteria |
SA116083 | 66-3 3 9_16_1 | bacteria |
SA116084 | 71-1 2 9_11_1 | bacteria |
SA116085 | 71-1 1 9_10_1 | bacteria |
SA116086 | 66-2 2 9_13_1 | bacteria |
SA116087 | 66-2 1 9_11_1 | bacteria |
Collection:
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:
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 µm 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 |
Ion Mode | POSITIVE |
Units | Peak area |
Chromatography:
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:
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 |
Ion Mode: | POSITIVE |