Mass Spectrometry Software from SIS

Our software helps mass spec labs identify spectra (NIST), convert MS data files, and control scientific instrumentation. Our SIMION software help engineers design MS and other instruments. We can offer custom programming services.
  • NIST 14 (Full)NIST 14
    Identify your EI and MS/MS mass spectra with NIST 14, the world's most trusted library of mass spectra and search software. Compatible with most MS data systems, including Agilent and Thermo. Upgrade from any previous version. Buy, upgrade, or call SIS tech support.
    A library of 193,164 MS/MS spectra of 41,475 ions, obtained from ion trap, collision cell, and HCD (orbitrap) instruments. This is a subset of the full NIST 14 MS library, containing only the MS/MS data and search software.
    A library of 82,337 chemical compounds analyzed by gas chromatography, including 385,872 GC method and retention index citations from literature.
  • Registry 11thRegistry 11th
    Wiley Registry 11th Mass Spectral Library. The world's largest MS library. Optionally combined with NIST.
  • Wiley Specialty LibrariesWiley Specialty Libraries
    Identify unknowns from EI (GC/MS) and MS/MS spectra. The most trusted, largest, and widely used libraries.
  • GC/GCMS File Translator ProGC/GCMS File Translator Pro
    Translates between popular MS and GC/MS file formats.
  • MASSTransitMASSTransit
    Convert and read GC/MS data files and MS library files.
  • MS Calculator ProMS Calculator Pro
    Mass spectrometer software tools for sale from SIS. Five products listed.
  • SIS Thermal DesorptionSIS Thermal Desorption
    Operates the TD system from a Windows PC. Fully integrated with the Agilent ChemStation software.
  • SIS HPP7 MS ProbeSIS HPP7 MS Probe
    PC window for data entry and system monitoring for the HP 5973/5975 probe
Mass Spectral Library Identification
  • Identify unknown compounds from EI (GC/MS) and MS/MS spectra, using library searching.
  • Hundreds of thousands of spectra, structures, names, and GC retension indices.
  • World's most widely used and trusted mass spectral reference libraries.
  • Search software included.
  • Additional libraries flavors, drugs, pesticides, metabolites and more.
Learn more
Electromagnetic/Particle Optics Instrument Design
  • Design and improve instruments, mass spectrometers and other ion optics lens systems.
  • Calculate electric and magnetic fields from 2D & 3D models
  • Calculate charged particle trajectories
  • Visualize, optimize, and analyze results
  • Extensible user programming for crazy flexibility.
  • Free basic tech support, phone/e-mail/message board.
  • Widely used commercially and in academia, including by most MS manufacturers.
Learn more

Boundary Element Method (BEM) electric field calculation, space-charge limited cathode emissions, field emission sources.

Learn more
Other Tools
GC/MS File Conversion
  • Imports/exports GC and GC/MS files between different formats.
Learn more
Mass Spec Calculator Pro
  • Molecular drawing and analysis.
  • Analyze elemental composition, molecular weight, fragmentation, and isotope ratios.
Learn more
Instrument Control and Custom Software Design

We design custom software for controlling our instrumentation in addition to SIMION. C/C++/C#.NET/Lua/Perl/Python