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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 23NIST 23
    Get new licenses for NIST mass spectral library, EI MS spectra, MS/MS, GC data here. Includes electron ionization (EI) data, AMDIS software. Standard, Agilent, Shimadzu, Multiformat available.
  • NIST MS/MSNIST MS/MS
    A library of 2.4 million MS/MS spectra of 51K compounds, 186K precursor ions, obtained from ion trap, collision cell, and HCD (orbitrap) instruments. This is a subset of the full NIST 23 MS library, containing only the MS/MS data and search software.
  • NIST GCNIST GC
    A library of 139,963 chemical compounds analyzed by gas chromatography, including 447,285 GC method and retention index citations from literature.
  • Registry 12thRegistry 12th
    Wiley Registry 2023 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.
  • 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
  • SIMIONSIMION
    The Industry Standard in Particle Optics Simulation Software Description Design new instruments or improve the sensitivity of existing 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 commercially and in academia, including by...
NIST/Wiley
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.
NIST 23 | NIST MS/MS | NIST GC | Registry 12th | Wiley Specialty Libraries
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SIMION®
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.
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Other Tools
Mass Spec Calculator Pro
  • Molecular drawing and analysis.
  • Analyze elemental composition, molecular weight, fragmentation, and isotope ratios.
MS Calculator Pro
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Free Online Tools
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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