Mass spectrometric study on O(S)-alkyl N,N-dimethylamino alkylphosphonates (alkylphosphonothiolates) for Chemical Weapons Convention verification purposes
作者:Hamdollah Saeidian、Davood Ashrafi、Mansour Sarabadani、Mohammad Taghi Naseri、Mehran Babri
DOI:10.1016/j.ijms.2012.03.006
日期:2012.5
Modified microsynthesis of O(S)-alkyl N,N-dimethylamino alkylphosphonates (alkylphosphonothiolates) which are included in schedule 2 of Chemical Weapons Convention (CWC) annex of chemicals, is reported. Retention indices and electron ionization mass spectral data with fragmentation routes for these chemicals are also given. Mass spectrometric studies revealed that their fragmentations were dominated by alkene elimination. McLafferty rearrangement, alpha-cleavage, amine elimination, etc. Conclusions were confirmed using MS/MS experiments, fragment ions of deuterated analogs and density functional theory calculations. (C) 2012 Elsevier B.V. All rights reserved.