Required software: MS-FINDER for Windows (http://prime.psc.riken.jp/compms/msfinder/main.html) & SIRIUS+CSI:FingerID for Windows (https://bio.informatik.uni-jena.de/software/sirius/). Versions of tools to be used will be announced closer to the course date.
Participant prerequisites: Basic knowledge of computer skills. No coding experience is needed.
Short description of the course: Compound identification is known as the bottleneck in metabolomics. However, there are many approaches one may consider while tackling this challenge (i.e. mass spectral library search, in silico fragmentation tools, or database searching). This short course will provide an overview of the current status of compound ID in metabolomics, participants will learn how to use freely available in silico fragmentation tool MS-FINDER and SIRIUS+CSI:FingerID, and apply those skills to some unknown challenges.