Ion—Molecule Reactions Involving Methyl Isocyanide and Methyl Cyanide

Author:

Dechamps Noémie1,Flammang Robert1,Boulvin Michaël1,Lamote Luc2,Gerbaux Pascal1,Ngan Vu Thi3,Nguyen Minh Tho3

Affiliation:

1. Laboratory of Organic Chemistry and Center for Mass Spectrometry, University of Mons-Hainaut, Avenue Maistriau 19, B-7000 Mons, Belgium

2. Waters SA, Brusselsesteenweg 500, B-1731 Zellik, Belgium

3. Department of Chemistry and Mathematical Modelling & Computational Science Centre, University of Leuven, 200F Celestijnenlaan, B-3001 Leuven, Belgium

Abstract

Ion–molecule reactions involving methyl isocyanide and methyl cyanide have been performed in a new rf-only hexapole collision cell inserted in a large-scale tandem mass spectrometer. Beside protonation processes, N-methyl cyanogen ions (CH3N+CCN) and 1-methyleneiminium-1-ethylenium ions (CH2CN+CH2) have been produced in high yield and fully characterized by high-energy collisional activation. The unimolecular chemistry of the molecular ions of caffeine (1,3,7-trimethyl xanthine) has been revisited on the basis of these new results.

Publisher

SAGE Publications

Subject

Spectroscopy,Atomic and Molecular Physics, and Optics,General Medicine

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