STRUCTURE AND FRAGMENTATIONS OF [C3H7S]+ IONS .2.

The principal fragmentation reactions of metastable [C3H7S]+ ions are loss of H2S and C2H4. These reactions and the preceding isomerizations of [C3H7S]+ ions with six different initial structures were studied by means of labelling with 13C or D. From the results it is concluded that the loss of H2S and C2H4 both occur at least mainly from ions with the structure [CH3CH2CHSH]+ or from ions with the same carbon sulfur skeleton, with the exception of the ions with the initial structure [CH3CH2SCH2]+, which partly lose C2H4 without a preceding isomerization. For all ions, more than one reaction route leads to [CH3CH2CHSH]+. It is concluded that the loss of H2S is at least mainly a 1,3‐elimination from the [CH3CH2CHSH]+ ions. Both decomposition reactions are preceded by extensive but incomplete hydrogen exchange. Copyright © 1979 John Wiley & Sons, Ltd.