DATA PROCESSING SYSTEM FOR CHROMATOGRAPHIC MASS SPECTROMETRY

摘要

For peak A detected on a chromatogram created based on data obtained by a product ion scan measurement of one characteristic ion species originating from a target compound, a mass spectrum is extracted, and this mass spectrum is subjected to a database search to extract candidates of the compound as a primary search result. Subsequently, for peak B detected on a chromatogram created based on data obtained by a product ion scan measurement of another characteristic ion species originating from the same target compound, a mass spectrum is extracted, and this mass spectrum is subjected to a database search, with the search range limited to the candidates extracted in the search result based on peak A, to further reduce the number of candidates. The result which has been narrowed in this manner is displayed, whereby the amount of labor for the compound identification by analysis operators is reduced.

主权项

1. A data processing system for chromatographic mass spectrometry for processing chromatographic mass spectrometry data obtained by a precursor ion scan measurement and/or a product ion scan measurement of a plurality of different kinds of ions originating from one compound isolated by a chromatograph so as to identify the compound, the system comprising:
a) a primary extraction processor for extracting a candidate of the compound by comparing a mass spectrum obtained by the precursor ion scan measurement and/or the product ion scan measurement of one kind of ion originating from the target compound with a database; b) a secondary extraction processor for performing, on the data obtained by the precursor ion scan measurement or the product ion scan measurement of each of other ions specified for the target compound, the process of limiting a search range to the compound candidates extracted by the primary extraction processor and further reducing a number of compound candidates by comparing a mass spectrum obtained by the precursor ion scan measurement and/or the product ion scan measurement of another kind of ion originating from the target compound with the database; and c) a result output section for outputting a result of the process if there is a candidate remaining after the process of reducing the number of compound candidates by the secondary extraction processor is completed.