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

Datasets in support of the <em>bioRxiv </em>submitted paper Doellinger et al. (<strong>2019</strong>) "<em>Evaluation of MALDI‐ToF Mass Spectrometry for Rapid Detection of Cereulide from Bacillus cereus Cultures"</em> - 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. <strong>Content:</strong> <em><strong>Figure 1.zip</strong></em>: Cereulide detection in <em>B. cereus</em> samples cultivated using different cultivation media and different sample preparation, or cereulide extraction methods. <em><strong>Figure 2.zip</strong></em>: Effectivity of cereulide extraction by different solvents from <em>B. cereus</em> F4810/72 colony material. <em><strong>Figure 3.zip</strong></em>: MALDI LIFT-ToF /ToF MS spectrum of cereulide. <em><strong>Figure 4.zip</strong></em>: Determination of the limit of detection (LOD) of cereulide by MALDI- and LDI-ToF <em><strong>Table 1.zip</strong></em>: Analysis of cereulide in <em>B. cereus</em> strains by MALDI-ToF MS. <em><strong>Fig.SI.01.zip: </strong></em> Ultraperformance Liquid Chromatography – Mass Spectrometry (UPLC-MS/MS) analysis of ethanolic washing solutions of <em>B. cereus</em> F4810/72. <em><strong>Fig.SI.02.zip:</strong></em> A selection of MALDI-ToF and LDI-ToF technical replicate mass spectra obtained from a commercial cereulide standard. <em><strong>Fig.SI.03.zip:</strong></em> Limit of detection (LOD) of cereulide determined by MALDI- and LDI-ToF MS of ethanol wash solutions from <em>B. cereus</em> ATCC 10987 spiked by a cereulide standard. <em><strong>Fig.SI.04.zip:</strong></em> Direct cereulide detection by means of MALDI- (panels <strong>A</strong>-<strong>F</strong>) and LDI-ToF MS (panels <strong>G</strong>-<strong>M</strong>) in linear and reflectron measurement mode.