Journal of Analytical Chemistry

, Volume 73, Issue 13, pp 1253–1259 | Cite as

Group Identification of O-Alkyl Alkylphosphonothionofluoridates by Electron Ionization Mass Spectra Using Generalized Spectral Images of Taxonomic Groups

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


A method is proposed for the group identification of poorly studied highly toxic O-alkyl alkylphosphonothionofluoridates by electron ionization mass spectra. The method is based on the use of generalized spectral images of four taxonomic groups of this class, subjected to control under the Chemical Weapon Convention. The generalized spectral images were obtained by analyzing the revealed regularities of the fragmentation of these compounds. An advantage of the proposed method is that the assignment of a test substance to one of the class groups and to a class as a whole is a rapid automated standard procedure used in the NIST information retrieval system.


electron ionization mass spectra O-alkyl alkylphosphonothionofluoridates fragmentation group identification 



The study was supported by the Russian Science Foundation, project no. 15-13-10005, granted to the Kostroma State Technological University.


  1. 1.
    Convention on the Prohibition of the Development, Production, Stockpiling and Use of Chemical Weapons and on Their Destruction, GE 92-61926, Paris, 1993.Google Scholar
  2. 2.
    Ellison, D.H., Handbook of Chemical and Biological Warfare Agents, Taylor & Francis, 2008.Google Scholar
  3. 3.
    OPCW Central Analytical Database, e-OCAD ver.16, Technical Secretariat of the Organization for the Prohibition of Chemical Weapons, 2014.Google Scholar
  4. 4.
    Lebedev, A.T., Lebedev, K.S., Myasoedov, B.F., Rybal’chenko, I.V., Sigeikin, G.I., and Suvorkin, V.N., Mass-Spektrom., 2006, vol. 3, no. 4, p. 277.Google Scholar
  5. 5.
    NIST/EPA/NIH, NIST Mass Spectral Library, Natl. Inst. Standards Technol., US Secretary of Commerce, 2014.Google Scholar
  6. 6.
    Morozik, Yu.I., Dudkin, A.V., Tkachuk, Yu.V., Rybal’chenko, I.V., and Khatymov, R.V., J. Anal. Chem., 2016, vol. 71, no. 14, p. 1319.CrossRefGoogle Scholar
  7. 7.
    Morozik, Yu.I., Kuchinskii, E.V., Galyaev, G.V., and Smirnov, A.O., J. Anal. Chem., 2013, vol. 68, no. 8, p. 680.CrossRefGoogle Scholar
  8. 8.
    Galyaev, G.V., Morozik, Yu.I., and Smirnov, A.O., Russ. J. Gen. Chem., 2010, vol. 80, no. 8, p. 1593.CrossRefGoogle Scholar
  9. 9.
    Identification of Potential Organophosphorus Warfare Agents: An Approach for the Standardization of Techniques and Reference Data, Helsinki: The Ministry for Foreign Affairs of Finnland, 1979.Google Scholar
  10. 10.
    Kireev, A.F., Rybal’chenko, I.V., Suvorkin, V.N., Tipukhov, V.N., and Khamidi, B.A., J. Anal. Chem., 2002, vol. 57, no. 8, p. 708.CrossRefGoogle Scholar
  11. 11.
    Kireev, A.F., Rybal’chenko, I.V., Savchuk, V.I., Suvorkin, V.N., and Kholstov, V.I., J. Anal. Chem., 2000, vol. 55, no. 9, p. 837.CrossRefGoogle Scholar
  12. 12.
    Lebedev, A.T., Morozik, Yu.I., Myasoedov, B.F., Rybal’chenko, I.V., and Fomenko, P.V., Mass-Spektrom., 2007, vol. 4, no. 4, p. 255.Google Scholar
  13. 13.
    Karni, M. and Mandelbaum, A., Org. Mass Spectrom., 1980, vol. 15, pp. 53.CrossRefGoogle Scholar
  14. 14.
    Lebedev, A.T., Mass-spektrometriya v organicheskoi khimii (Mass Spectrometry in Organic Chemistry), Moscow: BINOM, 2003.Google Scholar
  15. 15.
    Vul’fson, N.S., Zaikin, V.G., and Mikaya, A.I., Mass-spektrometriya organicheskikh soedinenii (Mass Spectrometry of Organic Compounds), Moscow: Khimiya, 1986.Google Scholar
  16. 16.
    Budzikiewicz, H., Djerassi, C., and Williams, D.H., Mass Spectrometry of Organic Compounds, San Francisco: Holden-Day, 1967.Google Scholar
  17. 17.
    Recommended Operating Procedures for CWC-Related Analysis, Vanninen, P., Ed., Helsinki: The Ministry for Foreign Affairs of Finland, Univ. Helsinki, 2011, p. 67.Google Scholar
  18. 18.
    Tou, J.T. and Gonzalez, R.C., Pattern Recognition Principles, London: Addison-Wesley, 1974.Google Scholar

Copyright information

© Pleiades Publishing, Inc. 2018

Authors and Affiliations

  • Yu. I. Morozik
    • 1
    • 2
  • A. V. Dudkin
    • 2
    Email author
  • I. V. Rybal’chenko
    • 1
  • A. R. Naumov
    • 1
  1. 1.Kostroma State UniversityKostromaRussia
  2. 2.Military Academy of Nuclear, Biological, and Chemical DefenseKostromaRussia

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