Mass spectrometric study on O(S)-alkyl N,N-dimethylamino alkylphosphonates (alkylphosphonothiolates) for Chemical Weapons Convention verification purposes

作者：Saeidian Hamdollah^*; Ashrafi Davood; Sarabadani Mansour; Naseri Mohammad Taghi; Babri Mehran

来源：International Journal of Mass Spectrometry, 2012, 319: 9-16.

DOI：10.1016/j.ijms.2012.03.006

• Mass spectrometry
• Chemical Weapons Convention
• Alkylphosphonate
• Alkylphosphonothiolate
• DFT calculation
• Fragmentation

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.

• 出版日期2012-5-1