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1. chemdata.nist.govMass Spectrometry Data Center, NIST

   chemdata.nist.gov

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   Freely available data analysis tools include AMDIS (Automated Mass Spectral Deconvolution and Identification System for GC/MS), MS Interpreter (for fragmentation analysis) and the Glyco Mass Calculator (for analysis of glycoforms).

   • Tools

     This site provides information and access to NIST mass...

   • Home

     The NIST Mass Spectrometry Data Center, a Group in the...

   • Peptide Library

     NIST peptide libraries are comprehensive, annotated mass...

   • BMD

     Welcome to the Biomolecular Measurement Division. In...

   • MS Data Center

     The Mass Spectrometry Data Center measures, compiles,...

   • FOIA

     The Freedom of Information Act, enacted in 1966, provides...

   • Amdis

     AMDIS - A utomated M ass spectral D econvolution and I...

   • Maintenance

     NIST Search Software. NIST Tandem Mass Spectral Library. MS...

2. chemdata.nist.gov › mass-spc › ms-searchLibrary Conversion Tool - NIST

   chemdata.nist.gov › mass-spc › ms-search

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   Library Conversion Tool Introduction. The LIB2NIST converter can convert HP MS Libraries (with up to 4 structure libraries) NIST MS user libraries; Text files in .MSP format with structures in MOLfile format; Text files in .SDF format containing both spectra and structures; Text files in JCAMP-DX format containing mass spectra (including HP-JCAMP)

3. www.nist.gov › mml › biomolecular-measurementMass Spectrometry Data Center | NIST - National Institute of...

   www.nist.gov › mml › biomolecular-measurement

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   29 cze 2020 · The Mass Spectrometry Data Center measures, compiles, evaluates, and correlates Standard Reference Data and develops and disseminates associated electronic databases and analysis software for industrially and environmentally important (bio)molecules.

4. chemdata.nist.gov › dokuwiki › dokuchemdata:ms-search [] - NIST

   chemdata.nist.gov › dokuwiki › doku

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   9 sie 2016 · A demo version of the NIST MS Search Software version 2.0f and AMDIS (Automated Mass Spectral Deconvolution and Identification System) with a sample MS Databases is available. AMDIS can also be downloaded separately.

5. pages.nist.gov › dimspec › docsMass Spectral Match (MSMatch) | User Guide for the NIST Database...

   pages.nist.gov › dimspec › docs

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   The Mass Spectral Match for Non-Targeted Analysis application provides a new way to make NTA tools developed at NIST accessible to both internal and external stakeholders using the Database Infrastructure for Mass Spectrometry project toolkit.

6. webbook.nist.govWelcome to the NIST WebBook

   webbook.nist.gov

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   You can search for data on specific compounds in the Chemistry WebBook based on name, chemical formula, CAS registry number, molecular weight, chemical structure, or selected ion energetics and spectral properties. NIST reserves the right to charge for access to this database in the future.

7. pages.nist.gov › dimspec › docsIntroduction | User Guide for the NIST Database Infrastructure...

   pages.nist.gov › dimspec › docs

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   In analytical chemistry, the objective of non-targeted analysis (NTA) is to detect and identify unknown (generally organic) compounds using a combination of advanced analytical instrumentation (e.g. high-resolution mass spectrometry) and computational tools.