Mass Spectrometry Links
Mass Spectrometry at Purdue University
Mass Spectrometry Societies
Mass Spectrometry Groups
Mass Spectrometry Journals
Mass Spectrometry Meetings
Mass Spectrometry Companies
Mass Spectrometry Software
- 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.
- Infomac HyperArchive - Science and Math (Macintosh)-The hypertext version of the InfoMac software archive, section of scientific software
Molecular Weight and Isotope Pattern Calculators
Shareware & Freeware
A limited amount of FTP space is available at this site for mass spectrometry shareware and freeware programs.
- Ion Trap Simulation Program v 5.0 - simulate ion trajectories in ion trap mass spectrometer (based on, 29. H.-P. Reiser, R.K. Julian and R.G. Cooks, Int. J. Mass Spectrom. Ion Processes, 121 (1992) 49.)
- ISOPRO 3.0-Isopro is an isotopic distribution simulator created for large biomolecules (based on Yergey, J. A. Int. J. Mass Spectrom. Ion Phys.,1983, 52, 337).
- 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
- MassLib-Demo available for structure elucidation software for MS
- Mass Kinetics - theory and Windows-based program to calculate mass spectra
- Mass Spectral Search Software-Free Windows software for displaying Kratos DS90 files and HP Chemstation files
- MoleCalc - molecular weight calculator program
- Molecular Weight Calculator for Windows 9x/NT/00/ME/XP-Freeware program for conversion from molecular formula to molecular weight
- MSTools (161K download)-A LabView VI library for working with HP chemstation files (LabView program required)
- Oligo Analyzer v3.0-Oligo Analyzer is a web-based 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.
- SEQUEST-SEQUEST is a Unix program that correlates uninterpreted tandem mass spectra of peptides with amino acid sequences from protein and nucleotide databases.
- Fiveash Data ManagementMass spectra and other spectral databases
- Brechbuhler, Inc.-Data acquisition and analysis for quadrupole mass spectrometers
- NIST/EPA/NIH Mass Spectral Library-This database contains ionization mass spectra of well over 62,000 different compounds. Each spectrum has associated with it a quality index, Chemical Abstracts Service (CAS) name, synonyms, molecular weight, formula, and CAS Registry Number
- ProLab Resources-Productivity enhancement software for HP MS ChemStation data systems
- Sherpa-A Macintosh based expert system for LC/MS and MS/MS analysis
- SIMION for PC Computers-The INEL home page for David Dahl's SIMION charged particle optics program
- SIMION Program Information-Somewhat outdated information about the SIMION ion optics program. For the PC version, see the "SIMION for PC Computers" link above. For Mac, contact information is at this link.
- The Wiley Registry of Mass Spectral Data - 399K spectra, 180K structures, and 2.2M names/synonyms