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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。
When samples are analyzed by gas chromatography / mass spectrometry (GC / MS), if the sample contains components with near retention times, the overlap of signal peaks in the total ion chromatogram will eventually affect the identification of the sample components. To solve this problem, we first discuss the nature of GC / MS data and use matrix to represent GC / MS data. Next, a method of increasing the resolution of a chromatogram is proposed. The method subtracts the adjacent GC / MS scan spectra and obtains the differential GC / MS spectra. The differential data includes positive and negative differential data. The positive and negative differential data are then shifted and recombined, yielding new data with a clear improvement in chromatographic resolution over the original GC / MS data.