Abstract
New approach in mass spectrometric (MS) and gas chromatographic (GC) data joint interpretation is proposed. It is based on the revealing of some structural fragments in the molecules of organic compounds basing on their MS signs, followed by hypothetical replacement of them by simpler substituents. Every transformation is characterized by differences in molecular weights (Δ M) and average differences of GC retention indices (ΔRI) values that permits us to repeat both MS and GC library search to identify not only initial unknown compounds, but their simpler structural analogues. The effective use of this method is based on both MS and retention index (RI) databases. Some examples of the application of this approach in identification of unknown analytes are considered.
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