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Mass Spectrometry Study of New Polyamine Derivatives of Caffeine

Arleta Sierakowska, Beata Jasiewicza, Tomasz Pospieszny

Abstract


The mass spectrometric fragmentations of ten new 8-alkylaminocaffeine derivatives were investigated. The fragmentation pathways of new polyamine derivatives of caffeine on the basis of low and high-resolution electron ionization (EI) mass spectra were discussed. In the case of new compounds, classical fragmentation of purine skeleton related to the elimination of a neutral molecule CH3N(1)C(2)O from a molecular ion was not observed. Nevertheless, new, interesting fragmentation of described caffeine derivatives was observed. Moreover, heats of formation of odd-electron ions of 8-alkylaminocaffeine derivatives were calculated.


Keywords


Caffeine; polyamine; EI -MS; semiempirical calculation

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DOI: http://dx.doi.org/10.17344/acsi.2018.4339

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