You no longer have to only rely on library DB searches for qualitative analysis!
msFineAnalysis series
Features
The msFineAnalysis series is an automatic qualitative analysis software that enables "integrated analysis" by combining the library database (DB) search using EI data and molecular weight confirmation using soft ionization data.
" msFineAnalysis iQ msFineAnalysis iQ" is designed for low resolution integer mass data analysis, and " msFineAnalysis msFineAnalysis" is designed for high resolution exact mass data analysis. Each package improves analysis accuracy, shortens work hours, and improves work efficiency.
Usefulness of integrated qualitative analysis
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".
The msFineAnalysis iQ is a software that can perform this integrated qualitative analysis automatically.