Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Mass spectra interpretation strategy

Mass spectra of chemical compounds have a high information content. This article describes computer-assisted methods for extracting information about chemical structures from low-resolution mass spectra. Comparison of the measured spectrum with the spectra of a database (library search) is the most used approach for the identification of unknowns. Different similarity criteria of mass spectra as well as strategies for the evaluation of hitlists are discussed. Mass spectra interpretation based on characteristic peaks (key ions) is critically reported. The method of mass spectra classification (recognition of substructures) has interesting capabilities for a systematic structure elucidation. This article is restricted to electron impact mass spectra of organic compounds and focuses on methods rather than on currently available software products or databases. [Pg.233]


See other pages where Mass spectra interpretation strategy is mentioned: [Pg.189]    [Pg.421]    [Pg.251]    [Pg.446]    [Pg.183]    [Pg.88]    [Pg.183]    [Pg.233]    [Pg.534]    [Pg.302]    [Pg.395]    [Pg.770]    [Pg.44]    [Pg.124]   
See also in sourсe #XX -- [ Pg.189 , Pg.190 , Pg.191 , Pg.192 , Pg.193 , Pg.194 , Pg.195 , Pg.196 , Pg.197 , Pg.198 , Pg.199 ]




SEARCH



Interpretive strategies

Mass interpretation

Mass spectrum interpretation

Mass spectrum interpreting

Spectra interpretation

© 2024 chempedia.info