Sunburst in the metabolome – Chemical Compound Class Annotation Using Sirius and MetIgel

The analysis of plant metabolomic data can be extremely challenging, particularly when it comes to metabolite annotation. The lack of standard reference spectra and the complexity of plant metabolism mean that many compounds cannot be accurately annotated. However, chemical compound class annotation can provide valuable insights into the metabolomic data, even in the absence of detailed annotation. SIRIUS is a powerful software tool that can be used to annotate the chemical compound classes of plant metabolites. It integrates a collection of tools developed by the group of Sebastian Böcker (FSU), including CSI:FingerID (with COSMIC), ZODIAC and CANOPUS. The resulting chemical compound classification can be used to describe the changes in the chemical profile of plants for example with sunburst plots. However, it is important to handle this tool and the results with care and to question them. For example, having a thorough understanding of the scoring system can aid in evaluating the results.

If you’re interested to join this workshop or if you have further questions please contact Henriette.uthe@idiv.de