The collision-induced fragmentations of deprotonated allyl alcohol and its monomethyl derivatives

Deprotonated allyl alcohol undergoes collision-induced losses of H2, CH2O and C2H4 with minor hydrogen randomization occurring prior to or during these dissociations. A further fragmentation involves loss of methane: labelling studies (with CH2CHCD2O−) suggest that this loss is preceded by the equilibration CH2CHCD2O− ⇌ CD2CHCH2O−. The methyl homologues of allyl alcohol form isomeric C3H ions: the charge reversal spectra of these isomers confirm that CH2CHCH, CH2CCMe and HCCHMe are separate species, and also suggest that all three of the corresponding positive ions are formed on the charge-reversal time-scale.