title: Fragmentation and reactions of two isomeric O-alkyl S-(2-dialkylamino)ethyl methylphosphonothiolates studied by electrospray ionization/ion trap mass spectrometry.
abstract: An initial investigation into the electrospray ionization ion trap mass spectrometry (ESI/ITMS) of simple organophosphorus compounds [1] demonstrated that detailed structural information could be obtained by sequential fragmentation of the ions using collision induced dissociation (CID). Several novel fragmentations/rearrangements were observed and it was apparent that the full potential of this approach could not be exploited until a more detailed understanding of the ion fragmentations was obtained. Such an understanding will only result from a detailed study of a wide range of compounds. The present paper describes the investigation of two isomeric organophosphates of particular relevance to chemical warfare convention (CWC) considerations.
authors.affiliation: CB Systems, Salisbury, Wilts, United Kingdom. ajbell@dera.gov.uk
authors.forename: A J
authors.initials: AJ
authors.lastname: Bell
authors.forename: J
authors.initials: J
authors.lastname: Murrell
authors.forename: C M
authors.initials: CM
authors.lastname: Timperley
authors.forename: P
authors.initials: P
authors.lastname: Watts
mesh_terms: D002619:Chemical Warfare Agents / Q000737:chemistry*; D007536:Isomerism; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D009946:Organothiophosphorus Compounds / Q000737:chemistry*; D021241:Spectrometry, Mass, Electrospray Ionization; D013329:Structure-Activity Relationship
chemical_list: D002619:Chemical Warfare Agents; D009946:Organothiophosphorus Compounds; C009680:VX-agent