Article ID Journal Published Year Pages File Type
1196420 Journal of the American Society for Mass Spectrometry 2008 9 Pages PDF
Abstract

Positive and negative electrospray mass spectrometry (MS), in-time and in-space MSn 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.

Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
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