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Mass Spectrometry Software from SIS

Scientific Instrument Services offers some of the most popular titles of mass spec and scientific software.

NIST and Wiley Libraries of MS, MS/MS, GC, and Structural Data

Our complete line of NIST and Wiley libraries of MS, MS/MS, GC/RI, and structural data help in identification of unknown compounds, using library searching.

The NIST and Wiley databases both utilize the same search software, whether that be the NIST MS Search, NIST AMDIS, or your proprietary MS data system. See the NIST 14 page for more details. Also available is SmileMS, for LS MS/MS datasets matching against multiple MS/MS libraries.

Electrostatics/charged-particle optics simulation: SIMION 8.1, CPO

SIMION 3D version 8.1 is industry standard Windows-based ion optics simulation program for testing and design of mass spectrometers and other ion optics lens system. Instrument designers use it to design new instruments and to maximize the sensitivity of the instruments. Use this powerful software to study ion source and detector optics in time-of-flight, quadrupole, ion trap and magnetic sector mass spectrometers in order to discover improvements that can be made to your instruments as well as to develop new instrument designs.

CPO - Charged Particle Optics is a software application that calculates electrostatic/magnetic fields and the trajectories of charged particles through those fields, a bit like SIMION. However, CPO differs fundamentally in its more powerful and accurate methods of calculation (Boundary Element Method--BEM), and it offers well-tested space-charge, cathode emission, and other advanced features. Advanced electrostatics software for space-charge, cathodes, and high accuracy using Boundary Element Method (BEM).

Mass Spectra Calculator

Mass Spec Calculator™ PRO is an all-in-one mass spec utility. Works with mass spectra and structures. Analyze elemental composition, molecular weight, fragmentation, and isotope ratios. (more information)

GC/MS file conversion: GC/GCMS File Translator, MASSTransit

GC and GCMS File TranslatorTM imports/exports GC and GC/MS files between different formats. Includes batch processing and can extract up to 30 selected ion traces or m/z ranges simultaneously. (more information...)

Also still available is MASSTransit (legacy product) handling data interchange between many GC/MS instruments, such as Shimadzu .qgd and library formats, which are not supported by the above software. (more information...)

  • NIST 14 (Complete Version)NIST 14 (Complete Version) (5)
    Search NIST 11 MS Database
    NIST/EPA/NIH Mass Spectral Enhancements (1998)
    NIST MS Database - Update Notifications
  • NIST 14 (GC only)NIST 14 (GC only)
  • NIST 14 (MS/MS only)NIST 14 (MS/MS only)
  • Wiley MS LibrariesWiley MS Libraries (14)
    Wiley: Flavors and Fragrances of Natural and Synthetic Compounds (FFNSC) Mass Spectral Library
    Wiley: Mass Spectra of Designer Drugs
    Wiley: MS Library of Drugs, Poisons, Pesticides, Pollutants and Their Metabolites
    Wiley: FAMEs Fatty Acid Methyl Esters
    Wiley: Physiologically Active Substances
    Wiley: Pesticides
    Wiley: Androgens, Estrogens, and other Steroids
    Wiley: Organic Compounds
    Wiley: Geochemicals, Petrochemicals and Biomarker
    Wiley Registry of Tandem Mass Spectral Data, MS for ID
    Search Wiley MS Databases
  • SIMION 8.1SIMION 8.1 (2)
    SIMION ordering information
  • MS Calc ProMS Calc Pro
  • GC/MS File ConverterGC/MS File Converter
  • MASSTransitMASSTransit
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