Rapid automatic target compound confirmation using deconvolution and spectral matching

摘要

A method for automatically verifying the existence of a target compound comprises generating a total ion chromatogram. The total ion chromatogram comprises a plurality of peaks, each peak representing one or more compounds in a sample matrix, each peak comprising at least two compounds. The method also comprises deconvoluting each peak to isolate each target compound present in the peak, and automatically verifying the identity of each target compound against a target compound library.