演題概要

ポスター発表

第２日　５月１５日（木）　　会場（いちょう）

2P-33　　PDF

GC×GC/MSとQSRR逆解析モデルを用いた未知化合物の構造決定法の開発

(¹旭化成・ ²東大院工)
^o佐藤幸司¹・ 加藤克己¹・ 吉田和之¹・ 船津公人²・ 金子弘昌²・ 菅間幸司²

We have studied a method of identifying compounds that are　difficult to structure identified in the library search of GC / MS. In this study, we examined the following. Initially, we made a QSRR correlation model from two retention times and mass spectra obtained from GC × GC / MS measurements. Next, we performed a inverse analysis using the correlation model. As a result, the correct structure is included, this method was considered to be useful for predicting structure of unknown compounds.