Deconvolution method and apparatus for analyzing compounds

摘要

A mass spectrometer system analyzes a sample with the aid an associated computer system or processor which utilizes a relatively small compound deconvolution data library. The deconvolution library has a specific predefined order. The specific order of the compounds in the library is established based on predetermined knowledge of the sample being tested by the mass spectrometer. A deconvolution technique utilized by the computer system automates a deconvolution technique that would be utilized by an experienced process chemist for a similar sample and associated fragmentation or cracking pattern. The deconvolution technique steps through the deconvolution library's order of compounds and compares each compound's stored spectral data with the sample's spectrum. If it is determined that a compound's spectrum is found in the sample's spectrum, then at least one complete peak associated with the found compound's spectrum is removed from the sample's spectrum.