Mass Spectrometry Tools

This site provides access to chemical data products and updates from NIST. Currently AMDIS (Automated Mass Spectral Deconvolution and Identification System), Mass Spectrum Interpreter, and the Mass Spectral Digitizer Program are available as well as the Peptide Databases and a demo version of the NIST 08 Library and the NIST MS Search Program v.2.0f from this Web site.

Software

• NIST/EPA/NIH Mass Spectral Database – the product of a multiyear, comprehensive evaluation and expansion of the world's most widely used mass spectral reference library
• NIST MS Search Program – what's new, software updates, demo, documentation and support programs
• NIST 11 GC Method / Retention Index Database – information about this new product
• NIST 12 MS/MS Database – information about this new product **NEW**
• Mass Spectrum Interpreter – information and downloads for version 2 of this program which predicts fragmentation based on structures and correlates with mass spectra (EI and MS/MS)
• 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

Publicly Available Libraries

• NIST Peptide Databases – These databases contain nearly 1 million MS/MS Spectra for multiple biological species
• EPA Tandem Mass Spectrometry Library – Starter Library of Environmentally Relevant Compounds
• DART Forensics Library – A library of in-source fragmentation spectra of DART-generated ions

Other Products and Services

• Where to Get NIST Databases – Databases are available only through distributors. See individual product descriptions for lists of distributors.
• Presentations and Publications – list of publications and presentations
• Chemical Reference Data Group – home page of the group responsible for this site
• NIST Chemistry WebBook – site with a diverse collection of data including electron ionization (EI) mass spectra

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Inquiries concerning this site should be addressed to stephen.stein@nist.gov.