Structures and fragmentations of zinc(II) complexes of amino acids in the gas phase. II. Decompositions of glycine-Zn(II) complexes

Abstract : The zinc complex of glycinate [Gly-H + Zn]+ has been formed by electrospray of a glycine/ZnCl2 mixture in a 50:50 vol. water/methanol solution. In this article, the precursors and the fragments of [Gly-H + Zn]+ ions are studied by means of collisional induced decomposition (CID) experiments including H/D exchanges and accurate ab initio calculations. Two precursors were identified: [Gly + CH3OH-H + Zn]+ (A) and [Gly + Gly-H + Zn]+ (B), A being much more abundant than B. The three main fragmentations of [Gly-H + Zn]+ are loss of carbon dioxyde, loss of carbon monoxyde, and successive losses of water and carbon monoxyde. To interpret these fragmentations four structures were chosen to describe [Gly-H + Zn]+. These structures are complexes between Zn(II) and glycine deprotonated either on the carboxylic group [NH2CH2COOZn]+ (1) or on the amine function [ZnNHCH2COOH]+ (2) or isomeric forms involving ZnH+ i.e. either [NH2CHCOOZnH]+ (3) or [HZn *** NH=CHCOOH]+ (4) respectively. None of the fragmentations is interpretable directly from structures 1 and 2. Loss of carbon dioxyde occurs from 3, loss of carbon monoxyde from a complex CX where HOZn+ interacts with CO and NH=CH2, a rearranged form of 2. Successive losses of water and carbon monoxyde can take place from 4. The non occurrence of structures 1 and 2 during the fragmentation of [Gly-H + Zn]+ ions is interpreted by isomerizations within A before evaporation of the last molecule of solvent. These isomerizations are energetically easier than the last step of desolvation. © 2000 Elsevier Science B.V.
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Yannick Hoppilliard, Françoise Rogalewicz, Gilles Ohanessian. Structures and fragmentations of zinc(II) complexes of amino acids in the gas phase. II. Decompositions of glycine-Zn(II) complexes. International Journal of Mass Spectrometry, Elsevier, 2001, 204 (1-3), pp.267-280. ⟨10.1016/S1387-3806(00)00358-4⟩. ⟨hal-00922235⟩

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