Effect of protonation and deprotonation on the gas-phase reactivity of fluorinated 1,2,4-triazines

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Positive and negative electrospray mass spectrometry (MS), in-time and in-space MS" experiments, high-resolution and accurate mass measurements obtained with an Orbitrap, together with density functional theory calculations have been used to study the gas-phase ion chemistry of a series of fluorinated 1,2,4-triazines. As a result of low-energy collision-induced dissociations, occurring in an ion trap and in a triple quadrupole, their protonated and deprotonated molecules show interesting features depending on the nature and structure of the precursor ions. The occurrence of elimination /hydration reactions produced by positive ions in the ion trap is noteworthy. Decompositions of deprotonated molecules, initiated by elimination of a hydroxyl radical from [M-H](-), are dominated by radical anions. Theoretical calculations have allowed us to obtain information on atom sites involved in the protonation and deprotonation reactions.
Lingua originaleEnglish
pagine (da-a)689-694
RivistaJournal of the American Society for Mass Spectrometry
Stato di pubblicazionePublished - 2008


All Science Journal Classification (ASJC) codes

  • Structural Biology
  • Spectroscopy

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