System for determining the composition of the chemical components of complex mixtures, methods, and computer readable medium

摘要

System, method and computer-readable media, the composition for measuring the chemical component in complex mixture are disclosed. According on one side, a kind of composition of chemical component in measurement complex mixture includes generating, using separating tool and mass spectrograph, the sample of separation and mass spectrometric data, wherein the separation includes that wherein data peaks information and mass spectrometric data include primary and mass spectrometric data. Analysis is as a result, including generating separation and mass spectrometric data, collection and storage. The chemical component of sample be by comparing analysis result and indicate chemical entities characteristic information bank, this relatively be based on separation and Information in Mass Spectra. Library's information includes the tool and mass spectrograph that data separating generates, and further includes separating to be identified and unidentified chemical entities with the data of both mass spectrums. It indicates to become the accessible form of available people in the chemical component of sample