Enhanced qualitative analysis software

Jeol has developed new software, msFineAnalysis, to enhance qualitative analysis of compounds using high-resolution GC-MS. It integrates information from multiple ionisation techniques with database search, exact mass and isotope data. The produced report compares spectral matches from a NIST or NIST-formatted MS database search with elemental compositional information from soft-ionisation data analysis. For unknown components, the program determines the elemental composition for the intact molecule by using the soft ionisation data. Elemental compositions are reported for fragment ions in the EI data. If both GC/EI data and the corresponding GC/soft ionisation method data are available, all five qualitative analysis processes are automatically performed on the peaks of the chromatogram.