Partial List of Analytical Chemistry Databases

The online NIST Chemistry WebBook contains IR spectra for over 8700 compounds, mass spectra for over 12,000 compounds, and UV/VIS spectra for over 400 compounds.

Mass Spectra
NIST/EPA/NIH Mass Spectral Library, NIST 02. ASCII Version
NIST Chemistry WebBook
Infrared
NIST Quantitative Infrared Database
NIST/EPA Gas-Phase Infrared Database, JCAMP Format
NIST Chemistry WebBook
Surface
NIST X-Ray Photoelectron Spectroscopy
NIST Surface Structure
NIST Electron Elastic-Scattering Cross-Section Database
NIST Electron Inelastic-Mean-Free-Path Database

Mail to: srdata@nist.gov