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.
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 (C(11)H(10)N(4)SO(2))(+) 1-3; (C(11)H(10)N(3)SCl)(+) 4-6 and (C(11)H(10)N(3)SBr)(+) 7-9 ions and the selected fragment ions (EI- MS), as well as (C(18)H(16)N(5)SO(4))(+) 1-3; (C(18)H(16)N(3)SCl(2))(+) 4-6 and (C(18)H(16)N(3)SBr(2))(+) 7-9 ions and the selected ions (C(7)H(6)NO(2))(+) 1-3; (C(7)H(6)Cl)(+) 4-6; (C(7)H(6)Br)(+) 7-9 (FAB-MS) are discussed. The data obtained can be used for distinguishing isomers.
Pospieszny
Tomasz
T
Faculty of Chemistry, Adam Mickiewicz University, Grunwałdzka 6, 60-780, Poznań, Poland. tposp@amu.edu.pl
Wyrzykiewicz
Elzbieta
E
D001593:Benzyl Compounds / Q000032:analysis; D017605:Bromine Compounds / Q000032:analysis; D017606:Chlorine Compounds / Q000032:analysis; D006846:Hydrocarbons, Halogenated / Q000032:analysis*; D007477:Ions / Q000737:chemistry; D007536:Isomerism; D009574:Nitro Compounds / Q000032:analysis; D016339:Spectrometry, Mass, Fast Atom Bombardment / Q000379:methods*; D018629:Spectrometry, Mass, Secondary Ion / Q000379:methods
D001593:Benzyl Compounds; D017605:Bromine Compounds; D017606:Chlorine Compounds; D006846:Hydrocarbons, Halogenated; D007477:Ions; D009574:Nitro Compounds