The Insilico Peptidic Natural Products Dereplicator is a bioinformatic tool that allows the annotation of known peptidic natural products in MS/MS data using in silico fragmentation tree.
For more informations, see the Dereplicator and VarQuest manuscripts:
Dereplicator: Hosein Mohimani, Alexey Gurevich, Alla Mikheenko, Neha Garg, Louis-Felix Nothias, Akihiro Ninomiya, Kentaro Takada, Pieter C. Dorrestein, Pavel A. Pevzner, Dereplication of Peptidic Natural Products Through Database Search of Mass Spectra, Nature Chemical Biology, 2016, 13, 30--37 (2017)
Dereplicator with VarQuest: Gurevich, A.; Mikheenko, A.; Shlemov, A.; Korobeynikov, A.; Mohimani, H.; Pevzner, P. A. Increased Diversity of Peptidic Natural Products Revealed by Modification-Tolerant Database Search of Mass Spectra. Nat Microbiol 2018, 3 (3), 319--327.
Full Documentation.