Spectra & Spectral Data

  • MassBank
    MassBank is a mass spectral database of experimentally acquired high resolution MS spectra of metabolites. It offers various query methods for standard spectra. The database has very detailed MS data and excellent spectral/structure searching utilities.
  • NIST Atomic Spectra Database
    The Atomic Spectra Database (ASD) contains data for radiative transitions and energy levels in atoms and atomic ions. Data is included for observed transitions of 99 elements and energy levels of 56 elements.
  • NIST Chemistry WebBook
    IR spectra for over 7,500 compounds, Mass spectra for over 10,000 compounds, UV/Vis spectra for over 400 compounds, Electronic and vibrational spectra for over 3000 compounds.
  • Spectral Database for Organic Compounds (SDBS)
    Thousands of IR, 1H-NMR, 13C-NMR, MS, and ESR spectra.
  • USGS Spectroscopy Lab – Spectral Library
    Contains more than 800 UV/Near-IR spectra of minerals, mixtures, artificial, liquids and volatiles and vegetation, each with documentation.
  • UV/Vis Spectra Data Base
    Spectral information (gas, liquid and solid phase from EUV-VUV-UV-Vis-NIR) and related data from published papers. The free database currently contains about 5,700 and data sheets (metadata) for about 900 substances.