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Alphabetical by Program/Site Name Under Heading
New Links:
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.
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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
- Mascot -
Matrix Science, a probability based search engine for protein identification using
peptide mass values or MS/MS data.
- PROWL
Other
- Fragment Wizard
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Shareware and Freeware
A limited amount of FTP space is available at this site for mass spectrometry shareware
and freeware programs.
- 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.
- MolMass
- 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.
- MSTools
- 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.
- PEPSEQ for PC
- 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.
- ProteoMetrics
- Home of PAWS, M/Z and other software.
- SEQUEST
- 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.
- WinICR
- 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.
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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.
- ChemSW
- Software for mass spectrometry and other analytical and training needs.
- Cognitive Solutions Ltd.
- Softbook interactive MS, GC, HPLC, and advanced GC training software.
- Deco
- A program for mass spectral decomposition and peak identification.
- 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.
- MasSim
- 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.
- 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.
- Sherpa
- 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.
- Waddell Software Development
- Custom software development for laboratories utilizing high resolution mass spectrometry
to measure dioxins/furans.
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