Zundel-Type H-Bonding in Biomolecular Ions
by Hernandez, O.; Pulay, P.; Maitre, P.; Paizs, B.
Using quantum chemical calculations and infrared multiphoton dissociation (IRMPD) spectroscopy in the fingerprint and X-H stretching regions, we demonstrate here that the all-Ala b (6) fragment ion features a macrocyclic structure with C-2 symmetry. For this structure, the ionizing proton is equally shared by the Ala(1) and Ala(4) amide oxygens in a Zundel-type symmetric (XaEuro broken vertical bar H(+)aEuro broken vertical bar X) H-bond.
- Journal
- Journal of the American Society for Mass Spectrometry
- Volume
- 25
- Issue
- 9
- Year
- 2014
- Start Page
- 1511-1514
- URL
- https://dx.doi.org/10.1007/s13361-014-0950-8
- ISBN/ISSN
- 1879-1123; 1044-0305
- DOI
- 10.1007/s13361-014-0950-8