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Identification of Unknown Compounds in Untargeted Metabolomics using Freely Available Software for Compound ID

August 5

Venue: Online, University of California, Davis, California, USA

Instructor : Dr. Arpana Vaniya, UC Davis

Required software: MS-FINDER & SIRIUS+CSI:FingerID. CFM-ID will be the web-based tool. Versions of tools to be used will be announced closer to the course date.

Participant prerequisites: Basic knowledge of computer skills. No coding experience 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 on the current status of compound ID in metabolomics, participants will learn how to use some current tools for compound ID (i.e., CFM-ID, MS-FINDER, and SIRIUS+CSI:FingerID), and apply those skills to some unknown challenges.

For more information, please visit the Bits & Bites: Short Course Series 2021 website.