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中文摘要：
由于离子阱质谱中容易发生分子-离子反应,致使质谱图发生改变,影响与主要由四极质谱建立的参照图谱的匹配效果.本文采用主成分分析方法对气相色谱/离子阱质谱中组成色谱峰的所有全扫描质谱进行提取,提取后的质谱图能够有效克服分子-离子反应和基线干扰的影响,应用不同的匹配算法均能很好地和参照图谱匹配,和传统方法相比匹配度显著提高,对目标化合物定性准确.
英文摘要：
The ion/molecular reaction in ion trap mass spectrometer can induce the change of mass spectra, so using the mass spectra to match quadrupole mass spectral reference library can not give satisfactory results. A method was presented for extrating individual component spectra from full-scanning GC/ion trap MS data using principal component analysis. Mass spectra extracted by the method is immune to effects of ion/molecular reaction and base noise. Compared to traditional method, the method is superior to match NIST 02 reference MS library by different matching methods.
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