Martin Luther University Halle-Wittenberg

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Method Development

Software Development for Mass Spectrometry

Mass spectrometry and Computer Assisted Structure Elucidation (CASE) are powerful tools to aid in the structure elucidation of natural products. We have contributed to the development of the software mMass    to aid in the interpretation of tandem mass spectra of peptides.

The software is especially suitable for the analysis of data from non-ribosomal linear and cyclic peptides. It can also be used to interpret the data from natural products with a mixed biosynthetic pathway (e.g. PKS/NRPS or glycopeptides), and also other polymers. Currently we are working on optimizing the software to further simplify the structure elucidation of these types of natural products.