NIST expands MS library

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  • Published: Aug 7, 2014
  • Author: Jon Evans
  • Channels: Electrophoresis / Proteomics & Genomics / Detectors / Gas Chromatography / Sample Preparation / Ion Chromatography / Laboratory Informatics / HPLC / Chemometrics & Informatics / Infrared Spectroscopy / UV/Vis Spectroscopy / Raman / Proteomics / NMR Knowledge Base / MRI Spectroscopy / Atomic / X-ray Spectrometry / Base Peak

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The US National Institute of Standards and Technology (NIST) has just released a new, greatly expanded edition of its mass spectral library.

NIST 14 boasts significantly increased coverage within each of its three components: the NIST/Environmental Protection Agency/National Institutes of Health Mass Spectral Library of electron ionization (EI) spectra; the NIST Tandem Mass Spectral Library; and the NIST Library of GC Methods and Retention Index Data. Other improvements in the new edition include: a greatly expanded variety of precursor ions for tandem mass spectra; integration of retention index and mass spectral data; a new way to display the structures of molecular derivatives and the reagents that yield them; and new search methods for high mass accuracy data.

'This release provides one of the most significant enhancements in the long history of the Mass Spectral Library, with major increases in coverage for both the EI and tandem collections along with a higher level of organization of the data within them,' says Stephen Stein, director of the NIST Mass Spectrometry Data Center and one of the researchers responsible for the development of NIST 14.

(Photo of researcher working on a modern mass spectrometer courtesy of M.E. Newman/NIST.)

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