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Directory > Mass Spectrometry Software

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Alphabetical by Program/Site Name Under Heading

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Index Pages

Charged Particle Optics Software Internet Services
Software to design and simulate properties of instruments utilizing electric and magnetic fields to guide charged particles.
EMBL Biological Mass Spectrometry Software Archive
EMBL Protein and Peptide Group archive of software for biological mass spectrometry.
ExPASy Sequence Analysis Tools
Index of peptide and protein software tools.
Infomac HyperArchive - Science and Math (Macintosh)
The hypertext version of the InfoMac software archive. Link is to the section of scientific software.
SIS Software Index
Mostly commercial software with links to shareware resources.


WWW Based Calculations

Molecular Weight and Isotope Pattern Calculators

SIS's MSTools
WebElements - Chemputer

Peptide/Protein Calculators

UCSF - MS-Digest, MS-Product
EMBL - Peptide Search
MDC Berlin - Peptide Mass Search
new.gif (1055 bytes) Mascot - Matrix Science, a probability based search engine for protein identification using peptide mass values or MS/MS data.


Fragment Wizard


Shareware and Freeware

A limited amount of FTP space is available at this site for mass spectrometry shareware and freeware programs.

new.gif (1053 bytes)Eastman Chemical Company
Utilities to perform improved searches on HP Data Systems, maros for structural import on HP data systems, Programs for converting ASCII library files.
Isotope Pattern Calculator v1.6.6 for Macintosh (113k Download)
This is a shareware program that calculates isotopic ratio patterns for molecular fragments.
Java Protein Analysis Tools (JPAT)
Contains Java and JavaScript utilities for Mass Spectometry and peptide mapping.
JCAMP-DX Interactive Mass Spectrum Viewer for Windows
JCAMP-DX is a freeware program for interactive viewing of mass spectra.
MASP for Windows
MASP is a freeware program predicting fragmentation-free mass spectra of libraries prepared by combinatorial synthesis.
MMCalc v2.0 for Macintosh (54k Download)
A simple freeware program for the calculation of molecular and formula weights and elemental compositions.
MoleCalc2.0 for Macintosh (161K download)
Demo version of a molecular weight calculator program.
Molecular Weight Calculator
Freeware molecular weight and percent composition calculator for Windows 95, 3.x, and DOS.
MSEQ Magnetic Sector Calculator (96K download)
A small Macintosh program that solves the equation: m/q = r2*B2/E.
A java applet that calculates all possible molecule masses on the basis the isotopes of the constituent atoms.
MSMS Software
IsoPro 3.0 for Windows '95 and NT as well as other shareware.
A LabView VI library for working with HP chemstation files (LabView program required).
Oligo Analyzer v1.0 for Macintosh (140k Download)
Oligo Analyzer is a freeware oligonucleotide analysis program which will calculate the molecular weight and the predicted melting temperature of your oligo and give the total number of each nucleotide.
A computer analysis program for PCs, developed for the interpretation of oligopeptide MS/MS mass spectra, also suitable for fragments containing unnatural or modified amino acids.
Home of PAWS, M/Z and other software.
SEQUEST is a Unix program that correlates uninterpreted tandem mass spectra of peptides with amino acid sequences from protein and nucleotide databases.
Software for Protein Mass Spectrometry
Software for protein mass spectrometry including spectral analysis and protein identification.
A Windows program that allows users to process 1-Dimensional FTICR files in native Bruker, Finnigan, IonSpec, and Midas formats.
WSEARCH Mass Spectral Search Software
A Windows program for displaying HP Chemstation/Pascal, Kratos DS90/DS55, Finnigan ITS40, Magnum,Varian Saturn, Jcamp, Schrader and NetCDF file formats.


Commercial Software

Acquisition Solutionk
Software design for acquisition or instrument control.
Advanced Chemistry Development
ACD/SpecManager: MS module for spectroscopic processing and data management.
ACD Mass Spectrometry Web Page
Software for mass spectrometry.
Chemical Concepts
Spectra database software from WILEY-VCH.
Software for mass spectrometry and other analytical and training needs.
Cognitive Solutions Ltd.
Softbook interactive MS, GC, HPLC, and advanced GC training software.
A program for mass spectral decomposition and peak identification.
new.gif (1053 bytes)Eastman Chemical Company
Utilities to perform improved searches on HP Data Systems, maros for structural import on HP data systems, Programs for converting ASCII library files.
Fiveash Data Management
Mass spectra and other spectral databases.
HighChem, Ltd.
Makers of Mass Frontier software for management and interpretation of mass spectra.
JEMS Technical Service
Y2K and instrument control software for control of older GCMS systems such as PE, QMASS, Finnigan and HP.
Kent Electronics
Mass spectrometer software upgrades for benchtop GCMS systems.
Mass Evolution
Data acquisition and analysis for quadrupole mass spectrometers.
General Protein/Mass Analysis for Windows (GPMAW)
A Windows based program for protein sequence and mass spectrometry analysis.
MassLib for Windows and X Windows
Software for structure elucidation based on mass spectrometry.
MassSim is a mass spectrometer simulator intended for educational use and can import data from the NIST/EPA database.
Matrix Science Ltd.
Mascot, a WWW tool for protein identification by matching mass spectrometry data againist protein and nucleic acid sequence databases.
new.gif (1053 bytes)MolMass
Company does a program called massim.
NIST/EPA/NIH Mass Spectral Library
The latest version, NIST 98, contains approximetely 130,000 evaluated electron ionization spectra of 108,000 compounds, nearly all with chemical structures.
Palisade Corporation
Makers of GC/MS data analysis software including The Wiley Registry of Mass Spectral Data.
ProLab Resources
Y2K MS Data system upgrades and HP MS ChemStation enhancements.
A Macintosh based expert system for LC/MS and MS/MS analysis.
Sierra Analytics, LLC
Mass spectrometry software for combinatorial chemistry and polymer analysis.
SIMION for PC Computers
The INEL home page for David Dahl's SIMION charged particle optics program.
SpectraChrom Software
Ready to run and custom software for mass spectrometry.
new.gif (1053 bytes)Waddell Software Development
Custom software development for laboratories utilizing high resolution mass spectrometry to measure dioxins/furans.


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1999, John Wiley & Sons, Ltd.