Ion mobility-mass spectrometry to extend analytical performance in the determination of ergot alkaloids in cereal samples.

  • Acknowledgements: LCR thanks the International Mobility Program Erasmus+ for PhD students (University of Granada, 2020). This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement HAZARDOmics No 795946. This study has been funded by MCIN/AEI/ 10.13039/501100011033, through the project PID2021-127804OB-I00 (Co-funded by European Regional Development Fund - ERDF, a way to build Europe).
  • Authors: L. Carbonell-Rozas, M. Hernández-Mesa, L. Righetti, F. Monteau, F.J. Lara, L. Gámiz-Gracia, B. LeBizec, C. Dall'Asta, A.M. García-Campaña, G. Dervilly.
  • Reference: Journal of Chromatography A 1682 (2022) 463502.

This work evaluates the potential of ion mobility spectrometry (IMS) to improve the analytical performance of current liquid chromatography-mass spectrometry (LC-MS) workflows applied to the determination of ergot alkaloids (EAs) in cereal samples. Collision cross section (CCS) values for EA epimers are reported for the first time to contribute to their unambiguous identification. Additionally, CCS values have been inter-laboratory cross-validated and compared with CCS values predicted by machine-learning models. Slight differences were observed in terms of CCS values for ergotamine, ergosine and ergocristine and their corresponding epimers (from 3.3 to 4%), being sufficient to achieve a satisfactory peak-to-peak resolution for their unequivocal identification. A LC-travelling wave ion mobility (TWIM)-MS method has been developed for the analysis of EAs in barley and wheat samples. Signal-to-noise ratio (S/N) was improved between 2.5 and 4-fold compared to the analog LC-TOF-MS method. The quality of the extracted ion chromatograms was also improved by using IMS.

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