The hydrogen and methane chemical ionization mass spectra of some formate esters

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Abstract
The H2 and CH4 chemical ionization mass spectra of formate esters up to the butyl formates have been determined. Deuterium labelling of the ester and deuterated reagent gases have been used to establish reaction mechanisms. The major fragmentation reactions of the protonated molecular ion are[Formula: see text]Reaction (a) is the dominant fragmentation for methyl formate, (b) is the dominant fragmentation for ethyl formate, while (c) is the dominant fragmentation for higher formate esters. The results show that the relative importance of the fragmentation routes cannot be predicted from the enthalpy of reaction of ground state HCO2R.H+ but are determined by the fragmentation rate coefficients averaged over the appropriate internal energy distribution of the excited HCO2R.H+ ions.

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