Computer analysis of the cracking patterns of deuterated hydrocarbons

A generalized, statistical model for calculating the mass spectral fragmentation patterns of deuterated hydrocarbons of low molecular weight is presented. Isotopic differences in bond energies and probabilities of the bond breakage of hydrogen and deuterium are included. Only a single fitting parameter is used. This parameter seems to be consistent for similar species of hydrocarbons. Small statistical deviations from observed spectra for deuterated methanes, acetylenes, ethylenes, and ethanes are obtained when this model is used.