PBM Search(搜索)是将未知化合物光谱同参比光谱库比较的一种谱库搜索。MSD 化学工作站的搜索步骤使用由 Cornell 大学的 Fred McLafferty 教授及其合作者开发的根据概率匹配(PBM)算法。通过检验参比光谱中的主要峰是否出现在未知物光谱中,搜索从与未知化合物光谱最相似的参比谱库中识别这些光谱。这种算法称作逆搜索。即使样品光谱包含共洗脱化合物时,它也能在谱库中找到光谱。特殊相似性由一种称作匹配质量的量度来评定。
PBM Search PBM Search is a library search compares the spectrum of an unknown compound against a library of reference spectra. The search procedure on the MSD ChemStation uses the probability-based matching (PBM) algorithm developed by Professor Fred McLafferty and co-workers at Cornell University. The search identifies those spectra from the reference library that are most similar to the spectrum of the unknown compound by verifying that the main peaks in a reference spectrum are present in the unknown spectrum. This algorithm is called reverse-search and allows spectra to be found in the library, even when the sample spectrum contains coeluting compounds. Spectral similarity is measured by a quantity called match quality.