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Coupling infrared multiphoton dissociation spectroscopy, mass-spectrometry and ion mobility spectrometry for the determination of structures of angiotensin II cations |
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| Authors: | Jean-Christophe PoullyGilles Grégoire Renaud BallivianPhilippe Dugourd Jean Pierre Schermann |
| Institution: | a Laboratoire de Physique des Lasers, Université Paris 13, UMR CNRS 7538, Villetaneuse 93430, France b Laboratoire de Spectrométrie Ionique et Moléculaire (LASIM), UMR CNRS 5579, Université Lyon I, Bat. A. Kastler, 43 bd du 11 Novembre 1918, 69622 Villeurbanne, France c Department of Biophysics and Biochemical Chemistry, World Class University (WCU), Seoul National University, Seoul 151-147, South Korea |
| Abstract: | Gas-phase structures of mass-selected singly- and doubly charged angiotensin ions have been determined by means of infrared multiple photon dissociation (IRMPD) spectroscopy and ion mobility spectrometry. Simulation of IRMPD spectra at the DFT level provides the location of the proton on the Arg side-chain in the case of the singly charged species. Interpretation of the ion mobility data suggests that the structures of singly- and doubly charged species are rather similar except for an internal proton transfer. |
| Keywords: | Peptide spectroscopy Gas-phase Ion mobility DFT simulation IRMPD |
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