Mass Spectrometry Software from SIS

NIST 11 Mass Spectral Library (NIST/EPA/EPA - 2011 version) is a fully evaluated collection of 242,893 electron impact (EI) mass spectra. It also contains GC data and a rapidly growing set of MS/MS spectra (~9,934 ion trap spectra and ~91,557 qtof/tandem-quad collision cell spectra). It is the product of an over 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. A versatile set of search software and other MS analysis software like AMDIS for GC/MS data deconvolution are included. Upgrades are available. (more information...)

NIST Gas Chromatography (GC) Library (NEW - November 2011) -- A database of 70,838 compounds common in GC analysis, each with name, synonyms, formula/ID, chemical structure, and list of GC methods previously used to analyze that compound (GC column type, GC method conditions, measured retention index (RI), and literature citation with paper titles -- 346,757 citations total). Parametric and chemical structure similarity searches are provided in the included software. The NIST GC Library is a subset of the NIST MS Library, containing only GC data and is under one-fifth the price. (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 smaller specialty Wiley mass spectral libraries are also available for specific compound classes, such as drugs, poisons, pesticides, pollutants, metabolities, designer drugs, pharmaceuticals, and agrochemicals.

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).

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...)

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...)