Published September 9, 2020 | Version 1
Dataset Open

Evaluation of MALDI‐ToF Mass Spectrometry for Rapid Detection of Cereulide from Bacillus cereus Cultures - MALDI-ToF Mass Spectra

Creators

  • 1. Robert Koch-Institute, Centre for Biological Threats and Special Pathogens, Proteomics and Spectroscopy (ZBS6), Berlin, Germany
  • 2. Functional Microbiology, Institute of Microbiology
  • 3. Technical University of Munich, Food Chemistry and Molecular Sensory Science

Description

Datasets in support of the bioRxiv submitted paper Doellinger et al. (2019) "Evaluation of MALDI‐ToF Mass Spectrometry for Rapid Detection of Cereulide from Bacillus cereus Cultures" - MALDI-ToF Mass Spectra.

The experiment and sample description and spectra numbering is consistent with the publication. Mass spectral data files are provided as unprocessed raw data in the manufacturer's original data format (Bruker Daltonics). Data is compressed using the freely available 7zip software.

Content:

Figure 1.zip: Cereulide detection in B. cereus samples cultivated using different cultivation media and different sample preparation, or cereulide extraction methods.

Figure 2.zip: Effectivity of cereulide extraction by different solvents from B. cereus F4810/72 colony material.

Figure 3.zip: MALDI LIFT-ToF /ToF MS spectrum of cereulide.

Figure 4.zip: Determination of the limit of detection (LOD) of cereulide by MALDI- and LDI-ToF

Table 1.zip: Analysis of cereulide in B. cereus strains by MALDI-ToF MS.

Fig.SI.01.zip: Ultraperformance Liquid Chromatography – Mass Spectrometry (UPLC-MS/MS) analysis of ethanolic washing solutions of B. cereus F4810/72.

Fig.SI.02.zip: A selection of MALDI-ToF and LDI-ToF technical replicate mass spectra obtained from a commercial cereulide standard.

Fig.SI.03.zip: Limit of detection (LOD) of cereulide determined by MALDI- and LDI-ToF MS of ethanol wash solutions from B. cereus ATCC 10987 spiked by a cereulide standard. 

Fig.SI.04.zip: Direct cereulide detection by means of MALDI- (panels A-F) and LDI-ToF MS (panels G-M) in linear and reflectron measurement mode.

Notes

License type for spectral data files: Creative Commons Attribution Non Commercial 4.0 International (CC-BY-NC): Licensees must credit the original authors by stating their names & the original work's title. Licensees may copy, distribute, display, and perform the work and make derivative works and remixes based on it only for non-commercial purposes.

Files

Fig.SI.01.zip

Files (67.0 MB)

Name Size Download all
md5:519888df5c8c23322d953c5e631af126
63.1 kB Preview Download
md5:926def4111f06270dfe8edf82387ec9d
7.8 MB Preview Download
md5:64484496c89eaaf3760546381c35462f
3.2 MB Preview Download
md5:a5cc049b7b8c684b79b4fbb4aecf5ab5
305.2 kB Preview Download
md5:52d7a41ed523215e42434de180ab9a61
29.9 MB Preview Download
md5:4c8e7b8be9486932032bf544f9991280
1.5 MB Preview Download
md5:f2b7b352ff622140d32e4e43f98b7d84
16.8 MB Preview Download
md5:73475d4d59d62bd24df0dff17215d480
2.1 MB Preview Download
md5:7b5c87a1f885976dc5cc632fe5811bd4
5.3 MB Preview Download

Additional details

Related works

Is supplement to
Preprint: 10.1101/869958 (DOI)

References

  • Doellinger et al., 2019 Evaluation of MALDI-ToF Mass Spectrometry for Rapid Detection of Cereulide from Bacillus cereus Cultures, bioRxiv