ATR-FTIR Identification using Spectral Library Databases

With the help of the three IR spectral libraries of General Library IR (350 spectra), SWGDRUG IR library-31 May 2018 (503 spectra) and Demo Library (200 spectra), all experimental FTIR spectra were successfully identified after spectral library search. The spectral matching operation was performed by software algorithm (standard search algorithm) with one main component mode in OPUS (Bruker).

本研究借助通用红外光谱库（General Library IR，含350条光谱）、SWGDRUG红外光谱库（SWGDRUG IR library，2018年5月31日版，含503条光谱）与演示光谱库（Demo Library，含200条光谱）这三类红外光谱库，对实验傅里叶变换红外（Fourier Transform Infrared, FTIR）光谱进行光谱库检索后，所有光谱均成功实现定性识别。光谱匹配操作采用布鲁克（Bruker）OPUS软件中的标准检索算法，以单主成分模式完成。