The C3H6O+• fragment from 1,4-dioxane+• revisited

Eur. J. Mass Spectrom. 5, 147–150 (1999)
DOI: 10.1255/ejms.260

The C₃H₆O^+• fragment from 1,4-dioxane^+• revisited

R. Thissen
LPCR, Université Paris Sud, 91405 Orsay, France.
H.E. Audier, J. Chamot-Rooke and P. Mourgues
DCMR, UMR CNRS 7651, Ecole Polytechnique, 91128 Palaiseau, France.

ABSTRACT:

In the cell of a Fourier transform ion cyclotron resonance mass spectrometer, the reactions of C₃H₆O^+• (m/z 58) isomer ions CH₃OCHCH₂^+• (1) and ^•CH₂CH₂OCH₂⁺ (2) with selected neutral molecules serve to distinguish clearly between these structures. It is shown that, contrary to earlier assumptions, the m/z 58 ions formed by fragmentation of 1,4-dioxane^+• do not correspond to a single structure. The main component corresponds to structure 2, but structure 1 is also present to the extent of about 7%. The mechanism of fragmentation is discussed.

Keywords: 1,4-dioxane, distonic ions, methyl vinyl ether, isomeric ions, FT-ICR, ion–molecule reactions

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