Giorgi Gianluca, Palumbo Piccionello Antonio, Pace Andrea, Buscemi Silvestre
Dipartimento di Chimica, Università degli Studi di Siena, Siena, Italy.
J Am Soc Mass Spectrom. 2008 May;19(5):686-94. doi: 10.1016/j.jasms.2008.01.014. Epub 2008 Feb 7.
Positive and negative electrospray mass spectrometry (MS), in-time and in-space MS(n) 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.
正、负电喷雾质谱（MS）、实时和空间分辨的串联质谱（MS(n)）实验、使用轨道阱获得的高分辨率和精确质量测量，以及密度泛函理论计算，已被用于研究一系列氟化1,2,4-三嗪的气相离子化学。由于在离子阱和三重四极杆中发生的低能碰撞诱导解离，它们的质子化和去质子化分子根据前体离子的性质和结构呈现出有趣的特征。离子阱中由正离子产生的消除/水合反应的发生值得注意。去质子化分子的分解由M-H消除羟基自由基引发，主要由自由基阴离子主导。理论计算使我们能够获得有关质子化和去质子化反应中涉及的原子位点的信息。
