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 InterpreterNew Interim Version for 2018. Information and downloads for version 3.2.2 of this program which connects mass spectral peaks to their probable chemical structure origin (EI and MS/MS, both nominal and accurate mass). Interim version - incomplete on-line help (final version expected by Aug. 2018).
  • NIST MS Search Program - what's new, software updates, demo, documentation and support programs.
  • AMDIS – computer program that extracts spectra for individual components in a GC/MS data file
  • 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: 2018/06/22 12:25 (external edit)

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