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Mass Spectrometry Data Center

The Mass Spectrometry Data Center measures, compiles, evaluates, and correlates Standard Reference Data and develops and disseminates associated electronic databases and analysis software for industrially and environmentally important (bio)molecules.

The Mass Spectrometry Data Center compiles, evaluates, correlates and measures Standard Reference Data 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 and MALDI 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.

Industry Impacts

Benchmarks for Biologic Drugs

Protein-based biologic drugs, which are increasingly used to treat cancers, autoimmune disorders and infectious diseases, are hard to produce, store and deliver

Press Coverage

Programs/Projects

Tandem Mass Spectral Library — The National Institute of Standards and Technology is responsible for an evaluated, tandem mass spectral library as an extension of the NIST/EPA/NIH Mass Spectral Library and the NIST Peptide Mass …

Performance Metrics for Proteomics — In collaboration with the National Cancer Institute's Clinical Proteomic Technologies for Cancer (CPTC), NIST researchers are developing specific and quantitative metrics, implemented in a …

Electron Ionization Library Component of the NIST/EPA/NIH Mass Spectral Library and NIST GC Retention Index Database — The National Institute of Standards and Technology (NIST) has developed and maintains an Electron Ionization (EI) Library as part of the NIST/EPA/NIH Mass Spectral Library, and the NIST GC …

Peptide Mass Spectral Libraries — The National Institute of Standards and Technology is developing a peptide mass spectral library as an extension of the NIST/EPA/NIH Mass Spectral Library. The purpose of the library is to provide …

Selected Publications

Contacts

Group Leader