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SIS supplies over 20,000 parts and services for mass spectrometry, chromatography, vacuum, and other scientific equipment.

News: New 2014 catalog, NIST 14, new products, Nanoliter MALDI/TOF dispensing, heater transfer tube for Thermo, NE300 syringe pump, ...

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...)

<< Software

Mass spectral libraries (NIST/Wiley), SIMION ion optics modeling, GC/MS file conversion, ...
Additional Literature
- - </software/ms/nist-manual-msms.pdf> /
Abstract - Application of SIMION to Time of Flight MS - - </referenc/abstract/simion2.htm> /
Abstract - Computer Modeling of Ion Optics in TOF MS using SIMION - - </referenc/abstract/simion3.htm> /
Abstract - Computer Modeling of TOF, 1996 EAS Presentation - - </referenc/abstract/timeflt.htm> /
Abstract, Application of SIMION to Filament Design for MS source - - </referenc/abstract/simion1.htm> /
GC and MS Software - - </index/referenc/software.htm> /
IAA for IMSC Tal-Aviv Poster 8-09 - - </software/iaa/poster.pdf> /
MS Tip - SuperIncos Mapped Software Print Buffer Lockup Noise - - </index/referenc/tip13.htm> /
MS Tools for Mass Spec Users from SIS - - </mstools.htm> /
Microsoft Word - IAA Tal-Aviv Manual V1.1 25-5-09.doc - - </software/iaa/manual.pdf> /
NIST 14 Mass Spec Library and Search Programs - User Manual - - </manuals/nist.htm> /
NIST 98 - NIST/EPA/NIH Mass Spectral Library - Flyer - - </art/pdf/nist.pdf> /
NIST/EPA/NIH Mass Spectral Library (NIST 05) and Search Program - Manual - - </manuals/nist05manual.pdf> /
New Features of MS Search in NIST08 - - </software/ms/nistmssearch-2008-new-features.pdf> /
Note 45- Application of SIMION 6.0 to Filament Design for Mass - - </referenc/applnote/app-45.htm> /
Note 47- The Application Of SIMION 6.0 To Problems In Time-of-Flight - - </referenc/applnote/app-47.htm> /
Note 52- Computer Modeling of Ion Optics in Time-of-Flight mass - - </referenc/applnote/app-52.htm> /
Note 52- Simion 3D Ion Optics Simulation Software, Appl Note 53 - - </referenc/applnote/app-53.htm> /
Note 54- Identification of volatile Organic Compounds in Office - - </referenc/applnote/app-54.htm> /
Note 56- Mass Spec Maintenance & Cleaning utilizing Micro Mesh - - </referenc/applnote/app-56.htm> /
Note 59- Computer Modeling of a FOF Reflectron with Gridless Reflector - - </referenc/applnote/app-59.htm> /
Note 69- Application of Simion - Finkelstein - Part 1 - - </referenc/applnote/app-69.htm> /
Note 70- Application of Simion to a study of the Finkelstein Ion Source, - - </referenc/applnote/app-70.htm> /
Note 72- 1998 Version of the NIST/EPA/NIH Mass Spectral - - </referenc/applnote/app-72.htm> /
Note 74- Examination of Source Design in Electrospray-TOF Using SIMION 3D - - </referenc/applnote/app-74.htm> /
On the inter-instrument and inter-laboratory transferability of a tandem mass spectral reference library: 1. Results of an Austrian multicenter study - - </software/ms/oberacher-jms-2009-1.pdf> /
On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithm - - </software/ms/oberacher-jms-2009-2.pdf> /
SIMION 3D 7.0 - Flyer - - </art/pdf/simion.pdf> /
SIMION 8.1 Flyer--ASMS-International_Layout 1 - - </art/pdf/simion_811_software.pdf> /
SIMION® 8.1 - The Ion and Electron Optics Simulator - - </simion.htm> /
SIS Thermal Desorption Software - - </sptd/sistd.pdf> /
SIS Thermal Desorption Software - - </manuals/thermaldesorptionsoftware.pdf> /
Scientific Instrument Services - NIST 14 Brochure - - </software/ms/nist14.pdf> /
Simulation of a Unique Cylindrical Quadrupole Mass Analyzer Using SIMION 7.0. - - </referenc/applnote/app-86.htm> /
Software for Mass Spectrometry and Scientific Applications from SIS - - </software.htm> /
Student Guid for SIMION Modeling Software - - </referenc/abstract/simmanul.htm> /
Ver20Man.pdf - - </software/ms/nist08-manual-678.pdf> /
Government Mass Spectrometry and Chromatography Web Site Listing - - </index/referenc/governmentsites.htm> /
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