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NIST/EPA/NIH MS/MS Mass Spectral Library 2014

NIST/EPA/NIH: MS/MS Mass Spectral Library 2014
  • Copyright: 2014
  • ISBN: 9781118980903

Price: $865.00

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Introduction

Newly expanded for its 2014 release, NIST 2014 MS/MS Spectral Library contains more than twice the spectra of the 2011 release at 234,284 and more than three times the number of ions at 45,298. The MS/MS search software contains significantly improved small-molecule handling.

Key Benefits and Specifications

NIST MS/MS 2014 contains a significant number of improvements, including:

  • New MS/MS spectra include metabolites, drugs, peptides (biologically active peptides and all di-peptides and tryptic tri-peptides), surfactants, contaminants, sugars, lipids, and more.
  • A new MS/MS search for small molecules. Dramatically improved ability to identify compounds with a few dominant peaks-a common situation for Tandem MS. More robust scoring for spectra acquired on imperfectly tuned instruments.
  • Exact Mass Search and Constraint allows searching for exact mass of a precursor using its mass or exact m/z of a product ion.
  • Handling and searching up to 127 MS libraries instead of 16.
  • Maximum number of spectra in a library has been increased from 786,420 to 1,048,560.
  • Search for the exact or isotopic precursor mass.
  • Search for exact fragment ion mass values in NIST EI and MS/MS databases.
  • Import spectra from instrument data system using standard formats including mzXML, mzData, mgf, msp, dta, pkl, JCAMP, etc.
  • Improved ability to identify compounds with few dominant peaks-a common situation for Tandem MS.
  • Full compatibility with most recent NIST Peptide MS/MS libraries.
  • Full compatibility with the Wiley Registry of Tandem MS Data (MSforID) and the Maurer/ Wissenbach/Weber LC-MSn Library of Drugs, Poisons, and Their Metabolites.