GCxGC data analysis of msFineAnalysis AI Ver. 3 ② Polymer pyrolysis
Introduction
The qualitative analysis software msFineAnalysis AI enables automatic structure analysis of unknown compounds not registered in libraries through EI/SI integrated analysis and AI structure analysis. Ver. 3 newly supports comprehensive 2D GC (GCxGC) data analysis. MSTips509 introduced the usefulness of EI/FI integrated analysis using diesel fuel analysis. This MSTips introduces the usefulness of AI structure analysis using polymer pyrolysis analysis. Figure 1 shows a schematic diagram of pyrolysis (Py)-GCxGC-MS.
In polymer pyrolysis analysis, some detected compounds not only have unknown mass spectra but also lack known structural formulas.
In msFineAnalysis AI system, structural formulas of oligomers generated from the pyrolysis of 49 homopolymers and 18 copolymers are created in-silico, and their mass spectra are predicted by AI, enabling qualitative analysis.