Abstract

A computer system is described which has been developed to handle a large volume of data derived from gas chromatographic (GC) and mass spectrometric (MS) analysis of environmental water samples. GC profiles have been quantified to provide a concise presentation of data and MS results, from a limited number of samples, have been used to ascribe probable identification to the components of GC profiles for which no MS analysis was performed. The statistical analysis of analytical performance characteristics provides the basis for the method adopted for cross referencing MS and GC data. A method for ranking compound identifications ascribed to GC profile components is presented.

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