Qualitative analysis by derivative spectrophotometry (II) Computer-assisted spectral analysis using derivative spectra and root mean of squares of differencesed spectral analysis using derivative spectra and Root Mean of Squares of differences

초록

A computer program which can differentiate compounds whose absorbance spectra are very similar was developed. The program, [SPECMAN PLUS], written in Pascal provides automated spectral comparison techniques, utilizing the values of Root Mean of Squares (RMS) of differences. This comparison routine of the program can deal with spectra of compounds of different concentrations and different recording resolutions. In addition, the program was designed applicable to any spectral data of digital form. The program was applied to the UV spectra of 13 penicillins and 5 cephalosporins, whose absorbance spectra are so similar. As a result, all compounds examined could be differentiated from each other. © 1989 The Pharmaceutical Society of Korea.