NIST/EPA/NIH MS/MS Mass Spectral Library 2017

Technique: LC-MS

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Overview

Transform your MS screening with one of the most versatile collections available

The NIST/EPA/NIH MS/MS Mass Spectral Library 2017 contains more than twice the spectra of the 2014 release, at 652,475, and more than two times the number of ions, at 123,881. The library has been expanded to now cover small molecules, di and tri peptides, metabolites, designer drugs, surfactants, and commercially available peptides. Of the included 123,881 ions, there are 1,436 biologically relevant peptides.

Library Specifications

MS/MS small molecules:

  • Spectra: 574,826
  • Compounds: 13,808
  • Ions: 118,082

MS/MS commercial peptides:

  • Spectra: 90,244
  • Compounds: 1,904
  • Ions: 6,803

NIST MS/MS Total:

  • Spectra: 652,475
  • Compounds: 15,243
  • Ions: 123,881

Compatibility

Agilent MassHunter*, OpenLab*
Bruker MetaboScape, ToxTyper 2.0
Proteome Scaffold Elements*
NIST MS Search
Scripps XCMS
Shimadzu LabSolutions
Thermo Chromeleon™*, LCQUAN™, Mass Frontier™*, mzCloud™, TraceFinder™*, ToxFinder™*, ToxID™*, xCalibur™*
Waters UNIFI

*Compatible with the NIST format

Compound Coverage

Compound coverage includes:
Biologically Active Peptides: 1500
Di-peptides: 400
Human Metabolites: 3500
Other (Drugs, Plant Metabolites, Lipids, Sugars, Surfactants, Contaminants, Forensics, etc.): 9140
Tryptic Tri-peptides: 800

Compound coverage can be searched at www.compoundsearch.com.