An integrated data-dependent and data-independent acquisition method for hazardous compounds screening in foods using a single UHPLC-Q-Orbitrap run

Abstract Thousands of hazardous compounds that contaminate foods and feeds pose potential risks for human and animal health. However, it remains a challenge to perform a fast monitoring for safety surveillance. Herein we report a novel approach, integrated data-dependent and data-independent acquisition (DDIA) method, to efficiently screen for hundreds of chemicals in a single run using ultra-high-performance liquid chromatography coupled with quadrupole Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap). This method was successfully applied to analyze 180 veterinary drugs in milk, 220 pesticides in tomato and 50 mycotoxins in maize, respectively. Compared with the widely used approaches of data-dependent acquisition (DDA) or data-independent acquisition (DIA), the obtained results indicate that DDIA-based method combines the advantages of both DDA and DIA, since it achieves higher reproducibility of identification, lower false results for targeted compounds. Notably, the advantage of DDIA approach is that it enables better date retroactivity for untargeted compounds, such as metabolites and decomposition products. With the improvement in high-resolution mass spectrometry (HRMS) as well as data-mining techniques, we believe that DDIA data acquisition approach based on LC-HRMS will be widely applied in various fields in the near future, especially in compound screening and omics field, such as metabolomics and proteomics.