Magnetic covalent organic framework with theory calculation coupled to UPLC-MS/MS for selective enrichment and...

Enniatin and Alternaria mycotoxins have presented adverse effects to food safety and human health, and an accurate, simultaneous analytical method for these mycotoxins was promising. This study reported the synthesis of a magnetic covalent organic framework (NH₂-Fe₃O₄@TpBD-COF) for efficient extraction of seven mycotoxins from wheat, coupled to UPLC-MS/MS for simultaneous quantification. The magnetic solid phase extraction (MSPE) parameters, including adsorbent dose (10 mg), vortex duration (5 min), and extraction/elution solvents (ACN/MeOH, 6/4, v/v), were systematically optimized. Method validation revealed ultra-low limits of quantification (LOQs:0.03 to 0.5 μg kg^-1), matrix effects (ME<8.49 %), recovery rates(81.3 %-109 %), and precision (RSD < 9.70). The adsorbent maintained satisfactory performance through 8 reuse cycles. Density functional theory (DFT) calculation indicated exergonic adsorption, primarily driven by hydrogen bonding, van der Waals forces, and hydrophobic interactions. The integrated method offers a sensitive and accurate approach for emerging mycotoxin analysis in wheat, potentially mitigating associated health risks.