Advanced AI technologies enable
structure analysis of unknown compounds
msFineAnalysis AI offers a new structure analysis tool for unknowns that is specifically designed for the JEOL JMST2000GC "AccuTOF™ GC-Alpha." This next generation software adds this structure analysis capability to improve the overall automatic qualitative analysis functionality that was already available with our previous generation msFineAnalysis.
The new "integrated analysis" combines GC/EI high resolution data, GC/soft ionization high resolution data, and "structure analysis" using two AIs (Main AI, Support AI). These advanced AI technologies allow msFineAnalysis AI to provide a unique automatic structure analysis capability that was not previously available for GC-MS qualitative analysis.
#1 AI Structure Analysis
Evolving innovative solutions: From molecular formula estimation to structural formula prediction for unknown compounds
For an unknown compound that is not registered in a library database (▼), the conventional msFineAnalysis algorithms automatically suggest a molecular formula. To take it a step further, msFineAnalysis AI enables automatic prediction of structures for all detected components.