用 IR 图谱鉴定某些药物,都需与标准 IR 图谱核对。在已知名称、分子式或化学分类的情况下,利用标准图谱的相应索引,查找标准图谱并不困难。但对一个全未知药物(非新化合物),仅根据一张 IR 图谱,通过谱线索引(SPEC—FINDER)去查找标准图谱却非一件易事。这是由于图谱绘制和峰位的读出难免产生系统误差和人为误差,使绘制的 IR 图谱与标准 The identification of certain drugs with the IR spectra is checked against standard IR spectra. With known names, molecular formulae or chemical classifications, it is not difficult to find a standard map using the corresponding index of the standard map. However, for an all-unknown drug (not a new compound), searching for a standard map by SPEC-FINDER based on an IR map alone is not an easy task. This is due to the fact that mapping and peak readings inevitably lead to systematic errors and human errors, making IR maps and standards drawn.