Target analysis of msFineAnalysis AI Ver.2 ① Highly sensitive and rapid analysis of polymer additives
Introduction
The unknown compounds structure analysis software “msFineAnalysis AI” can obtain highly accurate qualitative information by using integrated analysis that combines the EI (Electron Ionization) method with the SI (Soft Ionization) method. In addition, AI structural analysis can derive the structural formula of compounds not registered in the NIST library. Until now, it has been used for non-target analysis based on deconvolution peak detection, but Ver.2 has added a target analysis function that can determine the presence of specific compound with high sensitivity and speed.
This function detects peaks from extracted ion chromatograms (EICs) based on information such as the molecular formulas and mass spectra of pre-listed compounds. Furthermore, the detected peaks are judged using retention time (RT), retention index (RI), accurate mass analysis of molecular ions and fragment ions, isotope patterns, and mass spectrum similarity. For compounds not registered in the NIST library, the accuracy of judgment can be improved by AI structural analysis.