ParticipantID:        kduehrkop
Category:	      category1
Authors:              Kai Dührkop, Kerstin Scheubert, Sebastian Böcker
Affiliations:         Chair for Bioinformatics, Friedrich-Schiller-University, 
                      Jena, Germany
Automatic pipeline:   yes
Spectral libraries:   no

Abstract

We processed only the LC-MS challenges. The spectral data was analyzed
by the sirius command line tool.  We choosed the parameters of our
tool according to the challenge description.  We combined the scores
of the isotopic patterns and the fragmentation trees computed from
ms/ms spectra.  The pubchem molecular formula search was used to
assign adducts to the ions.  If no formula was found in pubchem, we
assumed a protonation.  For intrinsic charged formulas, we added a
protonated variant with a slightly reduced score.