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

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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.
Keywords
mycotoxins, Belgium, Reverse phase chromatography, LC-MS, Mycotoxin determination, Tanimoto structural similarity coefficient, N-alkylpyridinium-3-sulfonates, SIMILARITY INDEX, TRAINING SETS, MODELS, SPECTROMETRY, PHENYL, IMPACT, mass spectrometry

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MLA
Kelman, M. J., et al. “International Interlaboratory Study to Normalize Liquid Chromatography-Based Mycotoxin Retention Times through Implementation of a Retention Index System.” JOURNAL OF CHROMATOGRAPHY A, vol. 1745, 2025, doi:10.1016/j.chroma.2025.465732.
APA
Kelman, M. J., Renaud, J. B., McCarron, P., Hoogstra, S., Chow, W., Wang, J., … Sumarah, M. W. (2025). International interlaboratory study to normalize liquid chromatography-based mycotoxin retention times through implementation of a retention index system. JOURNAL OF CHROMATOGRAPHY A, 1745. https://doi.org/10.1016/j.chroma.2025.465732
Chicago author-date
Kelman, M.J., J. B. Renaud, P. McCarron, S. Hoogstra, W. Chow, J. Wang, E. Varga, 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 1745. https://doi.org/10.1016/j.chroma.2025.465732.
Chicago author-date (all authors)
Kelman, M.J., J. B. Renaud, P. McCarron, S. Hoogstra, W. Chow, J. Wang, E. Varga, A. Patriarca, A. Medina Vaya, Lia Visintin, Truong Nhat Nguyen, Marthe De Boevre, Sarah De Saeger, V. Karanghat, D. Vuckovic, D.R. McMullin, C. Dall’Asta, K. Ayeni, B. Warth, M. Huang, S. Tittlemier, L. Mats, R. Cao, M. Sulyok, K. Xu, F. Berthiller, M. Kuhn, B. Cramer, B. Ciasca, V. Lattanzio, Siegrid De Baere, Siska Croubels, N. DesRochers, S. Sura, J. Bates, E. J. Wright, I. Thapa, B.A. Blackwell, K. Zhang, J. Wong, L. Burns, D.J. Borts, and M. W. Sumarah. 2025. “International Interlaboratory Study to Normalize Liquid Chromatography-Based Mycotoxin Retention Times through Implementation of a Retention Index System.” JOURNAL OF CHROMATOGRAPHY A 1745. doi:10.1016/j.chroma.2025.465732.
Vancouver
1.
Kelman MJ, Renaud JB, McCarron P, Hoogstra S, Chow W, Wang J, et al. International interlaboratory study to normalize liquid chromatography-based mycotoxin retention times through implementation of a retention index system. JOURNAL OF CHROMATOGRAPHY A. 2025;1745.
IEEE
[1]
M. J. Kelman et al., “International interlaboratory study to normalize liquid chromatography-based mycotoxin retention times through implementation of a retention index system,” JOURNAL OF CHROMATOGRAPHY A, vol. 1745, 2025.
@article{01JJVRS6KEX1WAV19GCE5A74NQ,
  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.}},
  articleno    = {{465732}},
  author       = {{Kelman, M.J. and Renaud, J. B. and McCarron, P. and Hoogstra, S. and Chow, W. and Wang, J. and Varga, E. and Patriarca, A. and Vaya, A. Medina and Visintin, Lia and Nguyen, Truong Nhat and De Boevre, Marthe and De Saeger, Sarah and Karanghat, V. and Vuckovic, D. and McMullin, D.R. and Dall'Asta, C. and Ayeni, K. and Warth, B. and Huang, M. and Tittlemier, S. and Mats, L. and Cao, R. and Sulyok, M. and Xu, K. and Berthiller, F. and Kuhn, M. and Cramer, B. and Ciasca, B. and Lattanzio, V. and De Baere, Siegrid and Croubels, Siska and DesRochers, N. and Sura, S. and Bates, J. and Wright, E. J. and Thapa, I. and Blackwell, B.A. and Zhang, K. and Wong, J. and Burns, L. and Borts, D.J. and Sumarah, M. W.}},
  issn         = {{0021-9673}},
  journal      = {{JOURNAL OF CHROMATOGRAPHY A}},
  keywords     = {{mycotoxins,Belgium,Reverse phase chromatography,LC-MS,Mycotoxin determination,Tanimoto structural similarity coefficient,N-alkylpyridinium-3-sulfonates,SIMILARITY INDEX,TRAINING SETS,MODELS,SPECTROMETRY,PHENYL,IMPACT,mass spectrometry}},
  language     = {{eng}},
  pages        = {{14}},
  title        = {{International interlaboratory study to normalize liquid chromatography-based mycotoxin retention times through implementation of a retention index system}},
  url          = {{http://doi.org/10.1016/j.chroma.2025.465732}},
  volume       = {{1745}},
  year         = {{2025}},
}

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