NIST Mass Spectrometry Data Center

The Mass Spectrometry Data Center compiles, evaluates, correlates and measures NIST Standard Reference Database 1A and develops and disseminates associated electronic databases and analysis software for chemical identification and quality control for (a) electron ionization mass spectra and associated retention properties by the technique of gas chromatography/mass spectrometry, (b) reference tandem mass spectra of 'small molecules' generated by electrospray mass spectrometry widely used for biological analysis and (c) peptide fragmentation libraries that enable the identification of products of digestion of complex protein mixtures in the field of Proteomics. This also involves the development of structure-based estimation methods and reference data quality control methods for the more effective use of this reference data.

Electron Ionization Library Component of the NIST/EPA/NIH Mass Spectral Library and NIST GC Retention Index Database

Tandem Mass Spectral Library

Peptide Mass Spectral Libraries

NIST/EPA/NIH Mass Spectral Library with Search Program

NIST Peptide Mass Spectral Libraries for Proteomics and Chemical Analysis

Mass Spectrometry Data Center

The NIST Glyco Mass Calculator

Polymer Mass Spectrometry MALDI Recipes

NIST and SWGDRUG