Analytical Instrument Documents

MSTips No. 479

Introduction

The target analysis function of the unknown compounds structure analysis software "msFineAnalysis AI" Ver.2 detects peaks from extracted ion chromatograms (EICs) based on information such as the molecular formulas and mass spectra of pre-listed components. In the previous MSTips478, we introduced an application using the software preset target list "Polymer additives."

These target lists can be edited by the user, and new ones can be created for different purposes. In this MSTips we will introduce an application of polymer type estimation using the major pyrolysis products of polymers ¹⁾. Figure 1 shows a target list for this application. No. 001 1,20-heneicosadiene of polyethylene (PE) and No. 004 2-Phenethyl-4-phenylpent-4-enenitrile of acrylonitrile butadiene styrene (ABS) are not registered in the NIST library, but by registering the measurement results in advance in the NIST user library, it becomes possible to judge using mass spectrum similarity. Furthermore, by specifying a high-intensity fragment ion instead of a molecular ion as the extracted ion, it possible more sensitive peak detection.