Searching spectral libraries has long been an invaluable tool in the analytical chemist’s arsenal. A compound’s vibrational spectrum is a kind of ‘fingerprint’ of its functional groups, helping the user of an IR-Fourier or Raman spectrometer to determine the chemical composition of a substance. Searching spectral libraries based on digital comparison of spectral signals is a highly effective method for the qualitative identification of compounds. Spectral databases may contain information relating to various applications, industrial sectors or spectroscopic methods.
Databases are useful for the efficient and effective performance of analytical procedures, particularly for the identification of compounds and quality control. By comparing a sample’s spectrum with a data library, a spectroscopist can identify an unknown sample or evaluate a sample of known identity against an accepted standard. Users may maintain their own libraries or purchase commercial libraries. In either case, analysts will use these libraries to compare standards with their samples.