chemdata:start

Libraries, Tools, Service

This site provides information and access to NIST mass spectral data products. A variety of data products are available, including EI and tandem MS libraries (small molecule and peptide), a GC retention index collection as well as certain freely available, specialized spectral libraries. Freely available data analysis tools include AMDIS (Automated Mass Spectral Deconvolution and Identification System for GC/MS), the Mass Spectrum Interpreter (connects chemical structures with mass spectra), and the Mass Spectral Digitizer Program. Also available is a fully functional, version of NIST MS Search Program v.2.3 with a small demonstration library.

Libraries

Tools

  • Mass Spectrum InterpreterMajor New Release – February 2019 (v. 3.4). Information and downloads for version 3.4 of this program which connects mass spectral peaks to their probable chemical structure origin (EI and MS/MS, both nominal and accurate mass).
  • NIST MS Software and Data - updates, demo, documentation, MSPepSearch, Lib2NIST, RUS libraries and support programs.
  • AMDIS – computer program that extracts spectra for individual components in a GC/MS data file (Instructions for using AMDIS with MS Search – 11-25-2019)
  • Mass Spectrum Digitizer Program – a tutorial on how to use the program (includes program download) that allows the digitization of graphical spectra
  • The NIST Glyco Mass Calculator - a tool to aid in the analysis of glycoforms

Other Products and Services

Interlaboratory Study

chemdata/start.txt · Last modified: 2019/11/25 12:06 (external edit)

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