Charge-solvated versus protonated salt forms of cyclodepsipeptide toxins in electrospray: Dissociation of alkali-cationized forms enables straightforward sequencing of cereulide.

Bacillus cereus is responsible for foodborne outbreaks worldwide. Among the produced toxins, cereulide induces nausea and vomiting after 30 min to 6 h following the consumption of contaminated foods. Cereulide, a cyclodepsipeptide, is an ionophore selective to K in solution.

A proof-of-concept study on the versatility of liquid chromatography coupled to high-resolution mass spectrometry to screen for various contaminants and highlight markers of floral and geographical origin for different honeys.

The high-resolution mass spectrometry is a powerful analytical tool for improving food safety and authenticity, but still underused in official control laboratories. The present work is a proof-of-concept study overviewing how liquid-chromatography coupled to high-resolution mass spectrometry could be used simultaneously for large-scale screening of contaminants and differentiation of honey samples. Within this study, the samples were extracted using all-in-one QuEChERS-based protocol that allowed for analysis of various anthropogenic contaminants and endogenous compounds.

Liquid chromatographic retention time prediction models to secure and improve the feature annotation process in high-resolution mass spectrometry.

The development of quantitative structure-retention relationship (QSRR) models has, until recently, required an adequate selection of molecular descriptors necessarily obtained based on a known chemical structure. However, these complex descriptors are not always available nor calculable when the high-resolution mass spectrometry (HRMS) annotation process is underway. Depending on the level of annotation, many structures or even various molecular formulas could be candidates.

Wide-scope screening of multi-class contaminants in seafood using a novel sample preparation (QuEChUP) procedure coupled with UHPLC-Q-TOF-MS: Application for semi-quantitation of real seafood samples.

A high-resolution mass spectrometry screening method was developed and validated based on EU SANTE/11312/2021 guidelines for the analysis of 850 multi-class contaminants in commercial seafood samples. Samples were extracted using a novel sequential QuEChUP preparation method that combines the QuEChERS and QuPPe procedures. The screening detection limits (SDLs) and limits of identification (LOIs) were equal to or lower than 0.

Improving the monitoring of multi-class pesticides in baby foods using QuEChERS-UHPLC-Q-TOF with automated identification based on MS/MS similarity algorithms.

A screening method was developed for the multi-residue analysis of pesticides in baby foods using QuEChERS and UHPLC-Q-TOF. For sample preparation, the two-buffered versions of QuEChERS and different purification procedures were studied. False negatives and false positives were determined using different thresholds mentioned in the literature on the retention time and accurate mass measurement detection criteria.

Development and validation according to the SANTE guidelines of a QuEChERS-UHPLC-QTOF-MS method for the screening of 204 pesticides in bivalves.

A qualitative screening high resolution mass spectrometry method was developed and validated according to the EU SANTE/12682/2019 guidelines for the analysis of 204 pesticides in seven commercial bivalve species spiked at three concentrations (0.01, 0.05 and, 0.