PLUMS is a software that analyses tandem mass spectra of synthetic polymers. It helps to identify fragmentation series of homopolymers by determining the end groups of the fragments. Therefor no further knowledge of the polymer class or the fragmentation mechanism is required. The user only needs a peak list of the matrix–assisted laser desorption/ionization tandem MS (MALDI-MS/MS) spectrum as XML file. The mass error, the elements for the repeating unit and the elements of the end groups have to be entered. As result, a list of possible molecular formulas of each fragment and the mass error to the calculated mass is given. From this the user can select the correct molecular formula and finally can see the annotated spectrum.
Download Plums Version 0.1
Baumgaertel, A.; Scheubert, K.; Pietsch, B.; Kempe, C.; Crecelius, A. C.; Böcker, S. & Schubert, U. S., Analysis of different synthetic homopolymers by the use of a new calculation software for tandem mass spectra. Rapid Commun. Mass Spectrom., 2011, 25, 1765-1778