Poster Presentations
- Day 1, May 11（Mon.） Poster (1008/09)
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1P-08 PDF
Prediction of the Ionization Efficiency in ESI-MS by Multivariate Analysis
Electrospray ionization mass spectrometry (ESI-MS) has been widely used in various fields such as organic chemistry, analytical chemistry and forensic chemistry. However, for quantitative analysis, constructions of calibration curves by complicated methods are needed in most cases because the ionization efficiencies highly depend on the type of compounds. Until now, efforts have been made to implement quantitative analysis for amino acids or lipids without making calibration curves by predicting ionization efficiency by physicochemical parameters. However, there has been no reports for forensically important substances such as organophosphorus compounds and low-molecular-weight amine compounds. For that reason, this presentation focuses on prediction of the ionization efficiency of such forensically important compounds by multivariate analysis using physicochemical parameters as variable parameters. We will present the results obtained by analysis using Excel and Python.