Summary of Study ST002348

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 PR001508. The data can be accessed directly via it's Project DOI: 10.21228/M8RX35 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 IDST002348
Study TitleComparative metabolite profiling of glycolytic and sulfoglycolytic E. coli
Study SummaryGlycolytic E. coli (E. coli grown on glucose as a sole carbon source) and sulfoglycolytic E. coli (E. coli grown on the sulfosugar sulfoquinovose as a sole carbon source) were grown to mid-log phase in M9 minimal medium. Samples were harvested at mid-log phase and analysed using GC-EI-QqQ-MS.
University of Melbourne
Last NameWilliams
First NameSpencer
Address05, 532, David Penington Building, Parkville, 3010, VIC, Australia
Submit Date2022-11-14
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Analysis Type DetailGC-MS
Release Date2022-11-28
Release Version1
Spencer Williams Spencer Williams application/zip

Select appropriate tab below to view additional metadata details:


Project ID:PR001508
Project DOI:doi: 10.21228/M8RX35
Project Title:Metabolite profiling of glycolytic and sulfoglycolytic E. coli
Project Summary:Targeted comparative metabolite profiling of glucose-grown and sulfoquinovose-grown E. coli BW25113
Institute:University of Melbourne
Last Name:Williams
First Name:Spencer
Address:05, 532, David Penington Building, Parkville, 3010, VIC, Australia


Subject ID:SU002437
Subject Type:Bacteria
Subject Species:Escherichia coli
Taxonomy ID:562
Genotype Strain:BW25113


Subject type: Bacteria; Subject species: Escherichia coli (Factor headings shown in green)

mb_sample_id local_sample_id Factor
SA235658JM Glc 1Glc
SA235659JM Glc 5Glc
SA235660JM Glc 6Glc
SA235661JM Glc 2Glc
SA235662JM Glc 4Glc
SA235663JM Glc 3Glc
SA235668JM SQ 3SQ
SA235669JM SQ 1SQ
SA235670JM SQ 2SQ
SA235671JM SQ 4SQ
SA235672JM SQ 5SQ
SA235673JM SQ 6SQ
Showing results 1 to 16 of 16


Collection ID:CO002430
Collection Summary:Cells were metabolically arrested by infusing with ice-cold PBS and washed with PBS.
Sample Type:Bacterial cells


Treatment ID:TR002449
Treatment Summary:E. coli adapted to growth on the relevant substrate was grown on M9 minimal medium containing either Glc or SQ as a sole carbon source until mid-log phase was achieved.

Sample Preparation:

Sampleprep ID:SP002443
Sampleprep Summary:Cell pellets were resuspended in chilled extraction solution (500 µL) comprised of 3:1 MeOH: H2O and (13C5, 15N)valine (1 mM, 0.5 µL) and (13C6)sorbitol (1 mM, 0.5 µL) as internal standards. The suspensions were subjected to freeze-thaw cycles to facilitate lysis of the cells (30 s in liquid N2, 30 s in a dry ice/EtOH bath for 10 cycles), and shaken (9000 rpm, 10 min, 2°C). The samples were then centrifuged (12700 rpm, 5 min, 1°C). The cell lysate supernatant was transferred into glass inserts and dried. All samples were washed with MeOH (50 µL). All samples were methoximated with methoxylamine hydrochloride solution (30 mg/mL in pyridine, 20 µL) for 2 h at 37°C, followed by trimethylsilyation in BSTFA + 1% TMCS (20 µL) for 1 h at 37°C with continuous mixing. Samples were incubated at rt for 1 h prior to GC-MS analysis.

Combined analysis:

Analysis ID AN003833
Analysis type MS
Chromatography type GC
Chromatography system Shimadzu GC-2010
Column J&W DB-5 (30 m × 0.25mm,1.00um)
MS Type EI
MS instrument type Triple quadrupole
MS instrument name Shimazu TQ8040
Units a.u.


Chromatography ID:CH002838
Instrument Name:Shimadzu GC-2010
Column Name:J&W DB-5 (30 m × 0.25mm,1.00um)
Chromatography Type:GC


MS ID:MS003575
Analysis ID:AN003833
Instrument Name:Shimazu TQ8040
Instrument Type:Triple quadrupole
MS Type:EI
MS Comments:Please see attached file.