应用差分气相色谱/质谱法提高色谱分辨率

Enhancement of Chromatographic Resolution by Applying Differential Gas Chromatography/Mass Spectroscopy

当用气相色谱/质谱(GC/MS)分析样品时,如果样品中包含保留时间接近的成分,将导致总离子流图中信号峰的重叠,最终影响样品成分的鉴定。为了解决这个问题,首先讨论了GC/MS数据的性质,用矩阵表示GC/MS数据。接下来,提出一种提高色谱分辨率的方法。该方法对GC/MS相邻扫描谱图相减,得到差分GC/MS谱图,差分数据包括正值和负值差分数据。然后将正值和负值差分数据进行移位并重新组合,得到的新数据与原始的GC/MS数据相比,色谱分辨率有了明显的改善。

A novel technique was developed by applying the differential gas chromatography/mass spectroscopy（GC/MS）,to identify the overlapped chromatographic peaks of the total ion chromatogram（TIC）,and enhance the resolution of the differential gas chromatography.The technique mainly centers on data acquisition and data-processing.First,the differential GC/MS spectra were calculated by subtracting the intensities measured in the vicinity of a specific mass in two successive scans.Next,the positive and the absolute values of the negative data are stored in two separate data sets,respectively.Finally,one set of the processed data were obtained by shifting and recombining the two newly-constructed data sets.The chromatographic resolution after such data procession was found to be much higher than that of the raw GC/MS data.