Software for Mass Spectrum Analysis
MassLib provides comprehensive software tools for the processing and interpretation of mass spectra or series of mass spectra, e.g. from a GC/MS run or from the fractionated evaporation of a mixture of solids. Libraries of reference spectra (e.g. Wiley Registry with more than 230,000 reference spectra, or other commercially available collections and in-house libraries) can be searched for
* identical spectra
* similar spectra
* similar neutral loss patterns
* similar structures
* selected structural features
or accessed via chemical names, molecular weight, formula, etc. Most searches result in a list of potential matches or similar structures organized by chemical names, structures, or reference spectra with structures.