NIST Libraries and Software

updated Nov 29, 2019

NIST Search Software

New software and demo library can be found here:

NIST Tandem Mass Spectral Library

New release of the NIST Library of Tandem Mass Spectra is now available. Read more...

MS Interpreter Ver 3.4

(February 2019)

MS Interpreter (read more...) is a tool that enables the analysis of mass spectra based on the chemical structure of the underlying compound and the chemical formulas of its fragment ions. Now works for high and low mass accuracy spectra.

AMDIS ver. 2.73

AMDIS - computer program that extracts spectra for individual components in a GC/MS data file.

More information can be found here: AMDIS
Download files available here: Download

MS PepSearch (2-22-19)

This MS PepSearch program (read more...) was developed for batch processing of both proteomics and metabolomics data, in which hundreds or thousands of unknown tandem mass spectra can be processed in a single run.

Download the MSPepSearch appropriate for your Windows operation system. If you are in doubt, select 32-bit version.

Current release (02/22/2019, with new hybrid and hi-res searches, no GUI)

Lib2NIST Library Conversion Tool

Lib2NIST is tool for building and format conversion of NIST MS libraries.

Glycan and Glycopeptides

  • Glycopeptide Mass Spectral Library (HCD) of Human IgG1 mAb Drugs
    available for download
  • Glycan library can be downloaded from here
  • Online access to Glycan Library is also available

Annotated Recurrent Unidentified Spectra (ARUS )

  • 3 GC/MS Libraries available for download.
  • We have provided 8 library files of recurring spectra found in NIST Human Plasma/Serum and Urine reference materials that have not been identified by NIST libraries, many of which are partly identified using our Hybrid Search methods.
  • An experimental Carnitine Library, extracted from runs on NIST Urine Standard Reference Materials, is provided.
chemdata/nist17.txt · Last modified: 2023/10/10 21:24 (external edit)

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