Determination of Spectrum-Structure Correlations Based on Integral Parameters of Mass Spectra
A general approach is proposed for the determination of spectrum-structure correlations and the investigation of relationships between the structure and reactivity of molecules in the gas phase using integral structural and mass spectral parameters (indices). These indices are generated taking into account all the observable parameters of a mass spectrum.
OBJECTIVE ::: To establish a new method to discriminate Aaron's beard by Fourier transformation infrared spectrometry. ::: ::: ::: METHODS ::: Attenuation Reflection-Fourier transformation infrared spectrometry with clustering analysis was used to the identification of Aaron's beard. ::: ::: ::: RESULTS ::: There were obvious differences in Aaron's beard. The results are consistent with that of morphologic study. ::: ::: ::: CONCLUSION ::: This method is rapid, simple and economical, and can be used to the quality control.