Bits & Bites #10: Identification of unknown compounds in untargeted metabolomics using freely available software
Date: December 5, 2024 *8 hrs.
Instructor: Dr. Arpana Vaniya, UC Davis
Registration & Payment: here
- Required Software: Versions of tools to be used will be announced closer to the course date.
- 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/).
- MetFrag (https://msbi.ipb-halle.de/MetFrag/)
- NIST MS Search 2.3 & Lib2NIST
- Participant prerequisites: Basic knowledge of computer skills. No programming experience is necessary.
- Level: Introductory
- Short description of the course: Where do you start when a multitude of approaches exist to address the challenge of metabolite identification? There are so many options from mass spectral library searches, in silico fragmentation tools, and database searching. We will provide tips on how to explore the landscape of compound identification, leverage in silco fragmentation tools, and gain valuable hands-on experience by using real-world challenges.