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)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/MS 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.
- NIST GC A library of 99,400 chemical compounds analyzed by gas chromatography, including 404,045 GC method and retention index citations from literature.
- Registry 11th Wiley Registry 11th Mass Spectral Library. The world's largest MS library. Optionally combined with NIST.
- Wiley Specialty Libraries Identify unknowns from EI (GC/MS) and MS/MS spectra. The most trusted, largest, and widely used libraries.
- GC/GCMS File Translator Pro Translates between popular MS and GC/MS file formats.
- MASSTransit Convert and read GC/MS data files and MS library files.
- MS Calculator Pro Mass spectrometer software tools for sale from SIS. Five products listed.
- SIS Thermal Desorption Operates the TD system from a Windows PC. Fully integrated with the Agilent ChemStation software.
- SIS HPP7 MS Probe PC window for data entry and system monitoring for the HP 5973/5975 probe
- SIMION 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...
- CPO CPO is a general purpose particle optics simulation package, somewhat like SIMION, but based on the Boundary Element Method (BEM) of field calculation, supporting space-charge cathode emissions and field emitters.
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.
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.
Boundary Element Method (BEM) electric field calculation, space-charge limited cathode emissions, field emission sources.Learn more
GC/MS File Conversion
- Imports/exports GC and GC/MS files between different formats.
Mass Spec Calculator Pro
- Molecular drawing and analysis.
- Analyze elemental composition, molecular weight, fragmentation, and isotope ratios.
Free Online ToolsUse now
We design custom software for controlling our instrumentation in addition to SIMION. C/C++/C#.NET/Lua/Perl/Python