Li Pao, Mei Zhen, Cai Wensheng, Shao Xueguang
Collaborative Innovation Center of Chemical Science and Engineering, State Key Laboratory of Medicinal Chemical Biology, and Research Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin, China.
J Sep Sci. 2014 Jul;37(13):1585-90. doi: 10.1002/jssc.201400190. Epub 2014 May 14.
A method for the fast determination of the components in a complex sample by using gas chromatography with mass spectrometry was developed and used for the quantitative analysis of phthalic acid esters in environmental water. In the method, the adaptively corrected mass spectra were used to compensate for the differences between the library spectra and the measured ones in the experiment. The correction was obtained by the iterative transformation of the library spectra using iterative target transformation factor analysis, and the resolution was performed by non-negative immune algorithm using the corrected spectra. Rapid analysis of 16 phthalic acid esters in water samples was achieved using fast elution gas chromatography with mass spectrometry measurements. The results show that the mass spectra and chromatographic profiles of the phthalic acid esters can be obtained from the overlapping signal of 13 min elution, and accurate quantitative analysis can be obtained. The recoveries of the phthalic acid esters obtained by standard addition are between 90.3 and 107.4%, and the relative standard deviations obtained in repeated measurements are less than 9%.
开发了一种利用气相色谱-质谱联用快速测定复杂样品中成分的方法，并将其用于环境水中邻苯二甲酸酯的定量分析。该方法采用自适应校正质谱来补偿实验中库谱与实测谱之间的差异。通过使用迭代目标变换因子分析对库谱进行迭代变换获得校正，并用校正后的谱通过非负免疫算法进行解析。采用快速洗脱气相色谱-质谱联用测量实现了水样中16种邻苯二甲酸酯的快速分析。结果表明，在13分钟洗脱的重叠信号中可获得邻苯二甲酸酯的质谱和色谱图，并能进行准确的定量分析。标准加入法测得邻苯二甲酸酯的回收率在90.3%至107.4%之间，重复测量得到的相对标准偏差小于9%。
