TY - JOUR
T1 - Ion mobility-mass spectrometry to extend analytical performance in the determination of ergot alkaloids in cereal samples
AU - Carbonell-Rozas, Laura
AU - Hernández-Mesa, Maykel
AU - Righetti, L.
AU - Monteau, Fabrice
AU - Lara, Francisco J.
AU - Gámiz-Gracia, Laura
AU - Bizec, Bruno Le
AU - Dall'Asta, Chiara
AU - García-Campaña, Ana M.
AU - Dervilly, Gaud
PY - 2022/10/25
Y1 - 2022/10/25
N2 - 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.
AB - 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.
KW - Cereal samples
KW - Collision cross section
KW - Ergot alkaloids
KW - Ion mobility-mass spectrometry
KW - Travelling wave ion mobility spectrometry
U2 - 10.1016/j.chroma.2022.463502
DO - 10.1016/j.chroma.2022.463502
M3 - Article
C2 - 36174373
AN - SCOPUS:85138460993
SN - 0021-9673
VL - 1682
JO - Journal of Chromatography A
JF - Journal of Chromatography A
M1 - 463502
ER -