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Chemical Reference Data Group
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Welcome
The Chemical Reference Data Group compiles, evaluates, correlates and measures Standard Reference Data and develops and disseminates associated electronic databases and associated analysis software for (a) thermochemical properties of industrially and environmentally important chemicals, including reactive intermediates such as free radicals and positive and negative ions, (b) electron ionization mass spectra and associated retention properties for chemical identification by gas chromatography, (c) tandem mass spectra in electrospray and MALDI mass spectrometry especially for biological applications in proteomics and metabolomics. Also develops and evaluates new structure-based estimation methods and reference data quality control methods for chemical reference data. Programs/Projects
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 … 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 … |
Highlights
Credit: Image ©photobank.kiev.ua/courtesy Shutterstock 
Contact
Dr. Stephen E. Stein (Group Leader) |
