Data-dependent acquisition based high-resolution mass spectrum for trace Alternaria mycotoxin analysis and sulfated metabolites identification

Alternaria mycotoxins are food-related compounds that are mainly produced by Alternaria fungi species. However, it's difficult for Alternaria mycotoxins analysis, especially for conjugated metabolites in food safety surveillance. In this work, a novel data-dependent acquisition (DDA) full mass scan and products scan protocol was proposed for qualitative and quantitative analysis of five target mycotoxins in tomato samples using ultrahigh-performance liquid chromatography coupled with quadrupole Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap). In total, 24 sulfated metabolites were detected with post-data analysis techniques, and two sulfated metabolites (AME-sulfated and AOH-sulfated) were identified in Alternaria fungi -inoculated tomatoes. In addition, a custom database was established, and it was successfully applied for Alternaria mycotoxins and sulfated metabolites screening in tomatoes. With the improvement in high-resolution mass spectrometry (HRMS) as well as post-data analysis techniques, DDA based HRMS method could be widely applied for compound analysis, identification, and screening in quantitative field.

Automated summary

A novel data-dependent acquisition protocol was proposed for qualitative and quantitative analysis of Alternaria mycotoxins and sulfated metabolites in tomato samples using high-resolution mass spectrometry. 24 sulfated metabolites were detected, with two identified in Alternaria-fungi inoculated tomatoes. The study demonstrates the potential for DDA based HRMS method in compound analysis and screening in the quantitative field.