Ion mobility-mass spectrometry to extend analytical performance in the determination of ergot alkaloids in cereal samples Carbonell Rozas, Laura Hernández Mesa, Maykel Lara Vargas, Francisco Jesús Gámiz Gracia, Laura García Campaña, Ana María Ion mobility-mass spectrometry Travelling wave ion mobility spectrometry Ergot alkaloids Cereal samples Collision cross section This work evaluates the potential of ion mobility spectrometry (IMS) to improve the analytical perfor- mance of current liquid chromatography-mass spectrometry (LC-MS) workflows applied to the determi- nation 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 mod- els. 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 res- olution 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 im- proved 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. 2022-11-08T11:50:01Z 2022-11-08T11:50:01Z 2022-09-14 journal article Laura Carbonell-Rozas... [et al.]. Ion mobility-mass spectrometry to extend analytical performance in the determination of ergot alkaloids in cereal samples, Journal of Chromatography A, Volume 1682, 2022, 463502, ISSN 0021-9673, [https://doi.org/10.1016/j.chroma.2022.463502] https://hdl.handle.net/10481/77825 10.1016/j.chroma.2022.463502 eng info:eu-repo/grantAgreement/EC/H2020/795946 http://creativecommons.org/licenses/by-nc-nd/4.0/ open access Attribution-NonCommercial-NoDerivatives 4.0 Internacional Elsevier