Overview

Ensure faster analysis with expanded compound coverage in latest release of this essential MS spectral library

One of the most trusted mass spectral libraries has once more been extensively updated. The NIST MS/MS Mass Spectral Library 2026, developed by the experienced mass spectrometry team at the National Institute of Standards and Technology (NIST), represents the culmination of more than four decades of comprehensive evaluation and expansion, making it an essential resource for confident compound identification across LC-MS workflows.

The 2026 edition contains over 3.2 million validated spectra across multiple MS levels, covering ESI and APCI ionization, multiple collision energies and fragmentation methods, and data from QTOF, Orbitrap, ion trap, and triple quadrupole instruments, with broad adduct coverage across both positive and negative methods.

What's included

• NIST Tandem Mass Spectral (MS/MS) libraries
  • Small Molecule Atmospheric Pressure Chemical Ionization (APCI) High-Resolution MS/MS Library
  • Small Molecule High-Resolution Accurate Mass (HRAM) and Low-Resolution MS/MS Library
• NIST 2026 Software for MS/MS analysis only: MS Search, AMDIS, MS Interpreter
  • Now includes LC-MS/MS chromatogram analysis!

Ask about our Wiley Registry / NIST and KnowItAll packages

Bundle additional data to ensure the most comprehensive coverage and powerful tools to optimize and automate your workflow. 

Library Specifications

Tandem MS (MS/MS) Libraries

• Spectra: 3.2M+
• Unique Compounds: 68,600+
• Precursor Ions: 567,100+
• Adducts: Protonated, deprotonated, water/ammonia loss ions, other in-source-generated ions
• MS Levels: MS2, MS3, MS4
• Fragmentation Methods: HRAM, HCD, QqQ, ion trap CID

Compound Coverage

This database covers a broad range of compounds including:

• Metabolites
• Drugs/Pharmaceuticals
• Pesticides/Pollutants
• Peptides
• Lipids
• Sugars and glycans
• Extractable and leachable compounds
• Industrial Surfactants
• Contaminants

What’s New in this Release?

The NIST MS/MS Mass Spectral Library now contains 3.2M+ mass spectra of over 567,100 ions for over 68,600 compounds, across classes such as metabolites, drugs, pesticides, bioactive peptides, amino acids and small peptides, lipids, phospholipids and glycolipids, sugars and glycans, extractable and leachable compounds, surfactants, and various contaminants.

Compatibility

For full compatibility information please visit sciencesolutions.wiley.com/compatibility.

Also available in bundles with KnowItAll software, which supports multiple instrument vendor formats.

Ordering Information