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本文针对现有质谱匹配算法在实现物质的相似性检索方面存在的问题,提出了以权重m/z·I为峰的重要性因子的质谱匹配新算法。该算法充分强调了m/z和I的重要性,其权重能很好的反映谱图的特征。将该算法应用在NIST02谱库的检索中,其检索结果令人满意。
In this paper, aiming at the problem existing in existing mass matching algorithm for material similarity retrieval, a new algorithm for mass spectrometry matching based on importance factor with weight m / z · I is proposed. The algorithm fully emphasizes the importance of m / z and I, and its weight can well reflect the characteristics of the spectrum. The algorithm is applied to NIST02 library search, the search results are satisfactory.