A method of calculating the second dimension retention index in comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry.
A method of calculating the second dimension retention index in comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry.
复制标题
在综合二维气相色谱时质谱法中计算二维保留指数的一种方法。
DOI：
10.1016/j.chroma.2011.02.072
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发表时间：
2011-05-06
期刊：
影响因子：
--
通讯作者：
Zhang X
中科院分区：
文献类型：
--
作者：
Zhao Y;Zhang J;Wang B;Kim SH;Fang A;Bogdanov B;Zhou Z;McClain C;Zhang X
以正构烷烃为参比化合物，建立了一种计算综合二维气相色谱飞行时间质谱仪(GC×GC/TOF-MS)数据的二维保留指数的方法。24个等温实验获得的C7-C31烷烃的保留时间覆盖了二维保留时间空间中0-6 S保留时间区域，这使得在不扩展参考化合物的保留空间的情况下，根据相应的保留时间值计算目标化合物的保留指数。提出了二维柱保留时间、二维柱温度和正构烷烃碳数之间的经验函数。所提出的函数能够通过增加碳数来延长二维正构烷烃的保留时间。将参考正构烷烃中的碳数扩展到多两个碳原子时，引入的偏差小于10个保留指数单位(Iu)。通过对6种不同初始柱温的程序升温实验中化合物标准混合物的分析，验证了该方法的有效性。计算的化合物标准品的保留指标值的标准偏差在1~12IU之间波动，平均标准偏差为5IU。
A method was developed to calculate the second dimension retention index of comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC/TOF-MS) data using n-alkanes as reference compounds. The retention times of the C7-C31 alkanes acquired during 24 isothermal experiments cover the 0 – 6 s retention time area in the second dimension retention time space, which makes it possible to calculate the retention indices of target compounds from the corresponding retention time values without the extension of the retention space of the reference compounds. An empirical function was proposed to show the relationship among the second dimension retention time, the temperature of the second dimension column, and the carbon number of the n-alkanes. The proposed function is able to extend the second dimension retention time beyond the reference n-alkanes by increasing the carbon number. The extension of carbon numbers in reference n-alkanes up to two more carbon atoms introduces less than 10 retention index units (iu) of deviation. The effectiveness of using the proposed method was demonstrated by analyzing a mixture of compound standards in temperature programmed experiments using 6 different initial column temperatures. The standard deviation of the calculated retention index values of the compound standards fluctuated from 1 to 12 iu with a mean standard deviation of 5 iu.
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影响因子：
4.1
作者：
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