Journal of Analytical Chemistry

, Volume 71, Issue 14, pp 1319–1325 | Cite as

Prediction of electron ionization mass spectra of О-alkyl methylphosphonothionofluoridates

  • Yu. I. Morozik
  • A. V. DudkinEmail author
  • Yu. V. Tkachuk
  • I. V. Rybal’chenko
  • R. V. Khatymov


Electron ionization mass spectra of poorly studied toxic alkyl methylphosphonothionofluoridates and alkyl methylphosphonofluoridates are discussed. It is demonstrated that the compounds are decomposed in accordance with the general scheme of fragmentation of monofunctional organic compounds RX (X is a functional group), proposed previously. At the same time, noticeable differences between the corresponding mass spectra are found. The most important difference occurs in their alkene subspectra containing a peak of alkene ion [R–H]+• and peaks of its decay products. A method was developed for the simulation of mass spectra of unknown alkyl methylphosphonothionofluoridates by transforming available mass spectra of their oxygen analogues.


electron ionization mass spectra fragmentation of O-alkyl methylphosphonothionofluoridates prediction of mass spectra 


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Copyright information

© Pleiades Publishing, Ltd. 2016

Authors and Affiliations

  • Yu. I. Morozik
    • 1
    • 2
  • A. V. Dudkin
    • 2
    Email author
  • Yu. V. Tkachuk
    • 2
  • I. V. Rybal’chenko
    • 1
  • R. V. Khatymov
    • 3
  1. 1.Kostroma State Technological UniversityKostromaRussia
  2. 2.Military Academy of Nuclear, Biological and Chemical DefenseKostromaRussia
  3. 3.Institute of Molecule and Crystal Physics, Ufa Research CenterRussian Academy of SciencesUfa, BashkortostanRussia

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