Mass Spectrometry Software from SIS

NIST 08 Mass Spectral Library (NIST/EPA/EPA - 2008 version) is a fully evaluated collection of 220,000 electron impact (EI) mass spectra. It also contains MS/MS spectra and GC data. It is the product of a two decade, comprehensive evaluation and expansion of the world's most widely used mass spectral reference library by a team of experienced mass spectrometrists in which each spectrum was examined for correctness. Search software is included. Upgrades are available. (more information...)

Wiley Registry™ of Mass Spectral Data, 9th Edition (Oct 2009 - Massive 65% increase in number of spectra) is the world's largest databases of mass spectra (approx. 690,000 spectra or 796,000 with NIST 08). Other specialty Wiley mass spectral libraries are also available for specific compound classes, such as drugs, poisons, pesticides, pollutants, metabolities, designer drugs, pharmaceuticals, and agrochemicals.

NIST GC Library with Retention Indices (NEW - November 2008) -- A database of 44,008 compounds common in GC analysis, each with name, synonyms, formula, chemical structure, and retention index data. Retention index data and gas chromatographic conditions (293,247 citations) are for polar and non-polar stationary phase used with packed and open tubular columns. The NIST GC Library is a subset of the NIST MS Library (containing only GC data and under one-fifth the price). (more information...)

Tal-Aviv Isotope Abundance Analysis (IAA) Software (NEW - September 2009) -- Software that analyzes NIST MS library search results, confirming or rejecting results based on isotopic abundance analysis. Provides stronger confirmation of sample identification.

SIMION 3D version 8.0 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).

GC and GCMS File Translator^TM 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...)

MASSTransit handles data interchange between many GC/MS instruments. (more information...)