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基于全二维气相色谱保留指数数据鉴定未知化合物

Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatography.

作者信息

Pang Tao, Zhu Shukui, Lu Xin, Xu Guowang

机构信息

National Chromatographic R&A Center, Dalian Institute of Chemical Physics, The Chinese Academy of Sciences, Dalian, China.

出版信息

J Sep Sci. 2007 Apr;30(6):868-74. doi: 10.1002/jssc.200600471.

DOI:10.1002/jssc.200600471
PMID:17536732
Abstract

The identification of unknown compounds in complex samples is very difficult. Comprehensive two-dimensional gas chromatography (GC x GC) provides very good resolution and improved identification reliability. Mass spectrometry is a powerful identification tool and retention index data are another good approach to this end. In this study, a second-order polynomial was used to calculate retention index data based on n-alkanes beyond the region of the 'isovolatile' curve in GC x GC, and the results in the 2nd dimension were validated by using the same stationary phase column in one-dimensional GC. To test the usefulness of the method, volatile compounds in a tobacco leaf extract fraction were analyzed using GC x GC, and 60 compounds were identified on the basis of their retention indices.

摘要

在复杂样品中鉴定未知化合物非常困难。全二维气相色谱(GC×GC)具有很好的分离度,并提高了鉴定的可靠性。质谱是一种强大的鉴定工具,保留指数数据也是实现这一目的的好方法。在本研究中,使用二阶多项式基于全二维气相色谱中“等挥发度”曲线区域之外的正构烷烃计算保留指数数据,并通过在一维气相色谱中使用相同固定相柱对第二维度的结果进行验证。为了测试该方法的实用性,使用全二维气相色谱分析了烟叶提取物馏分中的挥发性化合物,并根据保留指数鉴定出60种化合物。

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