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Fragmentation patterns of novel dispirocyclopiperazinium dibromides during electrospray ionization mass spectrometry

Xin Wang, Ang Li, Wei Wang, Run-Tao Li*   

  1. State Key Laboratory of Natural and Biomimetic Drugs; Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University Health Science Center, Beijing 100191, China
  • Received:2010-11-17 Revised:2010-12-15 Online:2011-01-15 Published:2011-01-15
  • Contact: Run-Tao Li*

Abstract:

The fragmentation patterns of a series of dispirocyclopiperazinium dibromides with strong analgesic activity during positive ion electrospray ionization mass spectrometry were analyzed. The [M-Br]+ 2 ions showed the characteristic isotopic peaks and were assigned as the molecular ions. The loss of a 44 Dalton unit from 2 produced ion 3 [M-Br-44]+ and the loss of HBr from 2 formed ion 4. Besides, the carbamates 1d-1e produced extra ions [M-2Br-33]+. The related fragmentation mechanisms were proposed.

Key words: Mass spectrometry, Dispirocyclopiperazinium dibromides, Fragmentation pathway

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