linear polymer mass spectrometry software
massXpert is a program to simulate and analyse mass spectrometric data obtained on linear (bio-)polymers. It is the successor of GNU polyxmass.
Four modules allow:
- making brand new polymer chemistry definitions;
- using the definitions to perform easy calculations in a desktop calculator-like manner;
- performing sophisticated polymer sequence editing and simulations;
- perform m/z list comparisons; Chemical simulations encompass cleavage (either chemical or enzymatic), gas-phase fragmentations, chemical modification of any monomer in the polymer sequence, cross-linking of monomers in the sequence, arbitrary mass searches, calculation of the isotopic pattern...