A method to calculate 2nd dimension compound retention index in GC×GC system based on reference n-alkane and aromatic hydrocarbon mixture

Journal of chromatography open Pub Date : 2024-02-01 DOI:10.1016/j.jcoa.2024.100117

Rizky Ilhamsyah , Daniel R. Struk , Christopher A. Heist , Peter J. Hesketh , Jean-Marie D. Dimandja

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Abstract

This study presents an analytical approach for calculating retention indices of unknown compounds in the 2nd dimension of GC×GC systems by using an n-alkane-aromatic hydrocarbon (AH) reference mixture. We demonstrated that, by running a reference mixture containing a series of n-alkanes and three AH compounds in a GC×GC system, with the same run parameters as the target sample, we can mathematically obtain the retention index of unknown compounds. An analytical calculation procedure was developed and verified by using 59 test compounds. The results show that the calculated second dimension retention indices are in good agreement with those obtained from 1-D GC–MS runs, with a high coefficient of determination (R² = 0.996) and an average 2nd dimension retention index error of 14 points with standard deviation of 11.7.

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基于参考正烷烃和芳香烃混合物计算 GC×GC 系统中二维化合物保留指数的方法

本研究提出了一种利用正烷烃-芳香烃（AH）参比混合物计算 GC×GC 系统二维未知化合物保留指数的分析方法。我们证明，通过在 GC×GC 系统中运行含有一系列正构烷烃和三种芳香烃化合物的参比混合物，并采用与目标样品相同的运行参数，我们可以通过数学方法获得未知化合物的保留指数。我们开发了一套分析计算程序，并使用 59 种测试化合物进行了验证。结果表明，计算出的二维保留指数与一维气相色谱-质谱（GC-MS）运行得到的保留指数非常吻合，具有很高的决定系数（R² = 0.996），平均二维保留指数误差为 14 点，标准偏差为 11.7。

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