Nontargeted screening of carbonyl-containing hormonal residues in meat products for food safety by using intelligent high-resolution mass spectrometry-based workflow.

Abstract

The illicit use of unauthorized hormones in meat production poses a significant threat to food safety. Liquid chromatography-mass spectrometry offers a powerful nontargeted approach for detecting such contaminants, yet it is hindered by overwhelming datasets and inefficient identification. To address these challenges, we integrated three-dimensional combinatorial derivatization with a custom intelligent data processing software (MS-RDF). This method employs three structurally homologous reagents to selectively 'tag' residues and utilizes automated background subtraction to eliminate matrix interference, enabling accurate residue recognition. The MS-RDF software significantly enhances our capability for automated non-targeted screening of added hormones. 43 of the 45 artificially spiked hormones were successfully screened by using the workflow. The workflow was further validated by the successful detection of dexamethasone, megestrol acetate, and their metabolites in biological samples, confirming its utility for nontargeted screening and in vivo metabolic profiling. The results underscore the robustness of this integrated approach for future food-safety monitoring.