International interlaboratory study to normalize liquid chromatography-based mycotoxin retention times through implementation of a retention index system

Citation

Kelman MJ, Renaud JB, McCarron P, et al., (2025) International interlaboratory study to normalize liquid chromatography-based mycotoxin retention times through implementation of a retention index system. Journal of Chromatography A, Volume 1745, March 2025, Article number 465732

Abstract

Monitoring for mycotoxins in food or feed matrices is necessary to ensure the safety and security of global food systems. Due to a lack of standardized methods and individual laboratory priorities, most institutions have developed their own methods for mycotoxin determinations. Given the diversity of mycotoxin chemical structures and physicochemical properties, searching databases, and comparing data between institutions is complicated. We previously introduced incorporating a retention index (RI) system into liquid chromatography mass spectrometry (LC-MS) based mycotoxin determinations. To validate this concept, we designed an interlaboratory study where each participating laboratory was sent N-alkylpyridinium-3-sulfonates (NAPS) RI standards, and 36 mycotoxin standards for analysis using their pre-optimized LC-MS methods. Data from 44 analytical methods were submitted from 24 laboratories representing various manufacturer platforms, LC columns, and mobile phase compositions. Mycotoxin retention times (tR) were converted to RI values based on their elution relative to the NAPS standards. Trichothecenes (deoxynivalenol, 3-acetyldeoxynivalenol, 15-acetyldeoxynivalenol) showed tR consistency (± 20–50 RI units, 1–5 % median RI) regardless of mobile phase or type of chromatography column in this study. For the remaining mycotoxins tested, the RI values were strongly impacted by the mobile phase composition and column chemistry. The ability to predict tR was evaluated based on the median RI mycotoxin values and the NAPS tR. These values were corrected using Tanimoto coefficients to investigate whether structurally similar compounds could be used as anchors to further improve accuracy. This study demonstrated the power of employing an RI system for mycotoxin determinations, further enhancing the confidence of identifications.

Description

Software Description

Software Language

Github

Keywords

Belgium, Reverse phase chromatography, LC-MS, Mycotoxin determination, Tanimoto structural similarity coefficient, N-alkylpyridinium-3-sulfonates, 3401 Analytical Chemistry, 34 Chemical Sciences, LC-MS, Mycotoxin determination, N-alkylpyridinium-3-sulfonates, Reverse phase chromatography, Tanimoto structural similarity coefficient, Analytical Chemistry, 34 Chemical sciences, 40 Engineering

DOI

Rights

Attribution 4.0 International

Relationships

Relationships

Resources

Funder/s

Genome Canada, FWF Austrian Science Fund, Agriculture and Agri-Food Canada, Ministry of Education, Universities and Research, National Research Council Canada, Mitacs
This research was supported by the NRC (Biotoxin Metrology, Nova Scotia), the ALIFAR project (Italian Ministry of University, Dipartimenti di Eccellenza 2023–2027), Genome Canada Technology Development Grant and MITACS scholarship, with resources provided by the VetCore Facility (Mass Spectrometry) of the University of Veterinary Medicine Vienna.
Moreover, this research was supported by the Austrian Science Fund (FWF, P33188), the Mass Spectrometry Centre of the Faculty of Chemistry and the Exposome Austria Research Infrastructure at the University of Vienna.