Exploring Field-Induced Fragmentation of Protonated Alcohols: Mechanistic Insights and Stabilizing Ion-Solvent Clusters.

ABSTRACT: Field-induced ion activation in medium to high pressure regions of a mass spectrometer or ion mobility spectrometer can lead to changes in the ion structure, namely unfolding, tautomerization, or fragmentation. To either prevent mislabeling of spectra or utilize these effects efficiently, the underlying ion dynamics need to be understood. Hydroxyl-containing compounds in particular show significant fragmentation (loss of H₂O), yet the energetics and mechanisms are not well studied. This is particularly true for primary hydroxyl groups, as the presumably formed primary carbocations are highly instable. In this study, we investigate the dynamics of the field-induced fragmentation of protonated primary and secondary alcohols using a combined theoretical and experimental approach. S

SUBMITTER: Timmermann P 

PROVIDER: S-EPMC12784389 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature