Abstract

The series of the interaction products of substituted benzaldehydes XC₆H₄CHO with several aliphatic diols (ethanediol, 1,2-propanediol, 1,3-propanediol, 1,3-butanediol, and racemic 2,3-butanediol) were characterized for the first time by analytical parameters required for their chromatography–mass spectrometric identification: electron ionization mass spectra and gas-chromatographic retention indices (RIs) on a standard nonpolar polydimethylsiloxane stationary phase. It was found that it is expedient to combine this characterization of new compounds with controlling the correctness of the RIs by checking their correlations with data for one or several series of simpler and, therefore, characterized in more detail structural analogs. The proposed algorithm made it possible not only to confirm the correctness of all of the newly determined retention indices but also to reveal an erroneous reference value of the retention index of 4-ethoxyphenol. An appropriate selection of structural analogs provides an opportunity to use this method for controlling the retention indices of compounds in whose molecules steric interactions of structural fragments are manifested.

中文翻译：

---

控制以前未表征的分析物的气相色谱保留指数的正确性的原理（基于2-Aryl-1,3-Dioxolanes和2-Aryl-1,3-Dioxanes的实例）

摘要

取代苯甲醛XC ₆ H ₄的相互作用产物系列CHO与几种脂肪族二醇（乙二醇，1,2-丙二醇，1,3-丙二醇，1,3-丁二醇和外消旋2,3-丁二醇）的首次表征是通过色谱-质谱法所需的分析参数进行的鉴定：在标准非极性聚二甲基硅氧烷固定相上的电子电离质谱和气相色谱保留指数（RI）。已发现将新化合物的这种表征与控制RI的正确性相结合是很方便的，方法是通过检查一个或几个较简单序列的相关性并与数据进行相关性检查，从而更详细地表征结构类似物。所提出的算法不仅可以确认所有新确定的保留指数的正确性，而且可以揭示4-乙氧基苯酚的保留指数的错误参考值。结构类似物的适当选择提供了使用这种方法，用于控制在其分子结构片段的空间相互作用则表现化合物的保留指数的机会。