AACC uses Cookies to ensure the best website experience. Continuing without changing Cookie settings assumes you consent to our use of cookies on this device. You can change these settings at any time, but that may impair functionality on our websites. Review our cookie and privacy policy

CD/DVD

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

Member Price: $865.00

Rating: Member Average

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.