Bacterial profiles analysed by REIMS using Xevo G2-XS

Rapid evaporative ionisation mass spectrometry (REIMS) has been demonstrated capable of bacterial speciation by differentiation of their metabolic/lipidomic profiles. Previous work has shown the use of hand-held probes [1,2], and this dataset makes use of a robotic sampling probe which allows for high-throughput analysis [3]. This dataset consists of 651 isolates spanning 38 bacterial (564 isolates) and 6 (87 isolates) fungal species. Data are provided as Waters .raw and .mzXML files, with taxonomic and sample culturing information.

[1] Strittmatter, N. et al., Analysis of intact bacteria using rapid evaporative ionisation mass spectrometry. Chem. Commun., 2013, 49, 6188-6190. https://doi.org/10.1039/C3CC42015A
[2] Strittmatter, N. et al., Characterization and Identification of Clinically Relevant Microorganisms Using Rapid Evaporative Ionization Mass Spectrometry. Anal. Chem., 2014, 86, 6555-6562. https://doi.org/10.1021/ac501075f
[3] Bolt, F. et al., Automated High-Throughput Identification and Characterization of Clinically Important Bacteria and Fungi using Rapid Evaporative Ionization Mass Spectrometry. Anal. Chem., 2016, 88, 9419-9426. https://doi.org:10.1021/acs.analchem.6b01016