In qualitative analysis by GC-MS, it is common to perform a library DB search using mass spectra obtained by the Electron Ionization (EI) method.
The following figures and table show the EI and Soft Ionization (SI) mass spectra of component A, and the results of the library DB search using the EI mass spectrum. The library DB search results show that all of the candidates have a high similarity score of more than 800. In most cases, component A will be determined to be the first candidate with the highest similarity score in the library DB search when qualitative analysis is performed using only the EI mass spectrum. However, m/z 314, which is presumed to be a molecular ion, has been detected in the SI mass spectrum. Therefore, component A can be presumed to be the second candidate "Diethylene glycol dibenzoate".
In JEOL, we call the combination of library DB search using EI mass spectrum and analysis of molecular ions in the SI mass spectrum as "integrated qualitative analysis". The msFineAnalysis series is a software that can perform this integrated qualitative analysis automatically.
In the Integrated Analysis Result window, the user confirms the results for the integrated analysis. This window shows the EI and soft ionization (SI) chromatograms, chromatogram information, spectrum information, library DB search, and molecular ion analysis results. When the user double-clicks the desired line in the analysis result list, a separate mass spectrum analysis window appears that allows the user to confirm the search result and molecular ion analysis result. The user can also update the results or perform the analysis again.
Additionally, msFineAnalysis, which can analyze exact mass data, can also suggest the correct molecular formula for components that are not registered in the library database and provide partial structural information from the EI data as well.