Evaluation of the reduction of imidazophenazine dye derivatives under fast‐atom‐bombardment mass‐spectrometric conditions

• DOI: 10.1002/jms.974
• Publication Date: 2005-12-29T11:16:33Z
• Authors: Marina V. Kosevich; Oleg A. Boryak; Vadim V. Orlov; Vadim S. Shelkovsky; Vitalij V. Chagovets; Stepan G. Stepanian; Viktor A. Karache...; Ludwik Adamowicz
• Keywords: Fast atom bombardment

Abstract Satellite [M + 2] +• and 3] peaks accompanying the common peak of protonated molecule H] that are known to indicate occurrence a reduction process were observed in fast atom bombardment (FAB) mass spectra imidazophenazine dye derivatives glycerol matrix. The distribution abundances n group varied noticeably for different derivatives. This indicated levels depending on structure variations studied molecules. In search correlations between spectral pattern structural features dyes, ab initio HF/6‐31++G** quantum chemical calculations performed. They revealed ions show growth proportional decrease energy lowest unoccupied molecular orbital, i.e. increase electron affinity molecule. A method rapid screening reductive properties sets basis FAB data is discussed. Copyright © 2005 John Wiley & Sons, Ltd.