Fragmentation and reactions of two isomeric O-alkyl S-(2-dialkylamino)ethyl methylphosphonothiolates studied by electrospray ionization/ion trap massspectrometry

An initial investigation into the electrospray ionization ion trap mass spe ctrometry (ESI/ITMS) of simple organophosphorus compounds [1] demonstrated that detailed structural information could be obtained by sequential fragme ntation of the ions using collision induced dissociation (CID). Several nov el fragmentations/rearrangements were observed and it was apparent that the full potential of this approach could not be exploited until a more detail ed understanding of the ion fragmentations was obtained. Such an understand ing will only result from a detailed study of a wide range of compounds. Th e present paper describes the investigation of two isomeric organophosphate s of particular relevance to chemical warfare convention (CWC) consideratio ns. (C) 2001 American Society for Mass Spectrometry.