Abstract

European Journal of Mass Spectrometry
Volume 15 Issue 4, Pages 497–506 (2009)
doi: 10.1255/ejms.996

Differentiation of the isomeric o-(m- and p-)nitro-(chloro- and bromo-)benzyl-2,4-(and 2,1-) disubstituted 2-thiocytosinium halides by electron impact ionisation and fast atom bombardment mass spectrometry

Tomasz Pospieszny^* and Elżbieta Wyrzykiewicz
Faculty of Chemistry, Adam Mickiewicz University, Grunwałdzka 6, 60-780 Poznań, Poland. E-mail: tposp@amu.edu.pl

Electron ionisation (EI) and fast atom bombardment (FAB) mass spectral fragmentations of nine 2,4-(and 2,1-) disubstituted o-(m- and p-)nitro-(chloro- and bromo-)-2-thiocytosinium halides are investigated. Fragmentation pathways, whose elucidation is assisted by accurate mass measurements and metastable transitions [EI-mass spectrometry (MS)], as well as FAB/collision-induced dissociation (CID) mass spectra measurements are discussed. The correlations between the abundances of the (C₁₁H₁₀N₄SO₂)⁺ 1–3; (C₁₁H₁₀N₃SCl)⁺ 4–6 and (C₁₁H₁₀N₃SBr)⁺ 7–9 ions and the selected fragment ions (EI-MS), as well as (C₁₈H₁₆N₅SO₄)⁺ 1–3; (C₁₈H₁₆N₃SCl₂)⁺ 4–6 and (C₁₈H₁₆N₃SBr₂)⁺ 7–9 ions and the selected ions (C₇H₆NO₂)⁺ 1–3; (C₇H₆Cl)⁺ 4–6; (C₇H₆Br)⁺ 7–9 (FAB-MS) are discussed. The data obtained can be used for distinguishing isomers.

Keywords: 2-thiocytosinium halides, o-(m- and p-)nitro-(chloro- and bromo-)benzyl groups, isomers, EI-MS, FAB-MS

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