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Mass Spectrometry Software from SIS

Scientific Instrument Services offers some of the most popular titles of mass spec and scientific software.

NIST and Wiley Libraries of MS, MS/MS, GC, and Structural Data

Our complete line of NIST and Wiley libraries of MS, MS/MS, GC/RI, and structural data help in identification of unknown compounds, using library searching.

The NIST and Wiley databases both utilize the same search software, whether that be the NIST MS Search, NIST AMDIS, or your proprietary MS data system. See the NIST 14 page for more details. Also available is SmileMS, for LS MS/MS datasets matching against multiple MS/MS libraries.

Electrostatics/charged-particle optics simulation: SIMION 8.1, CPO

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).

Mass Spectra Calculator

Mass Spec Calculator™ PRO is an all-in-one mass spec utility. Works with mass spectra and structures. Analyze elemental composition, molecular weight, fragmentation, and isotope ratios. (more information)

GC/MS file conversion: GC/GCMS File Translator, MASSTransit

GC and GCMS File TranslatorTM 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...)

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Reference Literature
Thumbnail of - - </software/ms/nist-manual-msms.pdf> /
Thumbnail of Abstract - Application of SIMION to Time of Flight MS Abstract - Application of SIMION to Time of Flight MS - - </referenc/abstract/simion2.htm> /
Thumbnail of GC and MS Software GC and MS Software - - </index/referenc/software.htm> /
Thumbnail of IAA for IMSC Tal-Aviv Poster 8-09 IAA for IMSC Tal-Aviv Poster 8-09 - - </software/iaa/poster.pdf> /
Thumbnail of New Features of MS Search in NIST08 New Features of MS Search in NIST08 - - </software/ms/nistmssearch-2008-new-features.pdf> /
Thumbnail of Note 69- Application of Simion - Finkelstein - Part 1 Note 69- Application of Simion - Finkelstein - Part 1 - - </referenc/applnote/app-69.htm> /
Thumbnail of Note 72- 1998 Version of the NIST/EPA/NIH Mass Spectral Note 72- 1998 Version of the NIST/EPA/NIH Mass Spectral - - </referenc/applnote/app-72.htm> /
Thumbnail of SIMION 3D 7.0 - Flyer SIMION 3D 7.0 - Flyer - - </art/pdf/simion.pdf> /
Thumbnail of SIMION 8.1 Flyer--ASMS-International_Layout 1 SIMION 8.1 Flyer--ASMS-International_Layout 1 - - </art/pdf/simion_811_software.pdf> /
Thumbnail of SIS Thermal Desorption Software SIS Thermal Desorption Software - - </sptd/sistd.pdf> /
Thumbnail of SIS Thermal Desorption Software SIS Thermal Desorption Software - - </manuals/thermaldesorptionsoftware.pdf> /
Thumbnail of Student Guid for SIMION Modeling Software Student Guid for SIMION Modeling Software - - </referenc/abstract/simmanul.htm> /
Thumbnail of Ver20Man.pdf Ver20Man.pdf - - </software/ms/nist08-manual-678.pdf> /
Thumbnail of Government Mass Spectrometry and Chromatography Web Site Listing Government Mass Spectrometry and Chromatography Web Site Listing - - </index/referenc/governmentsites.htm> /
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