Events The 3rd International Electronic Conference on Metabolomics

Event submissions

Published

This submission belongs to the session A. Advanced Metabolomics and Data Analysis Approaches of the event The 3rd International Electronic Conference on Metabolomics

Published date

15 Nov, 2018

Citation

Justin van der Hooft, Madeleine Ernst, Ricardo da Silva, Mingxun Wang, Kyo Bin Kang, Joe Wandy, Simon Rogers, Marnix Medema, Pieter Dorrestein, <span>Integrated metabolome mining and annotation pipeline accelerates elucidation and prioritisation of specialised metabolites</span>, in Proceedings of The 3rd International Electronic Conference on Metabolomics, 15 November–30 November 2018, MDPI: Basel, Switzerland, doi: 10.3390/iecm-3-05843

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Integrated metabolome mining and annotation pipeline accelerates elucidation and prioritisation of specialised metabolites

Justin van der Hooft ^1,2

Madeleine Ernst ³

Ricardo da Silva ³

Mingxun Wang ²

Kyo Bin Kang ^2,4

Joe Wandy ⁵

Simon Rogers ⁶

Marnix Medema ⁷

Pieter Dorrestein ³

1. Bioinformatics Group, Department of Plant Sciences, Wageningen University, Wageningen, The Netherlands

2. Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA

3. Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA.

4. College of Pharmacy and Research Institute of Pharmaceutical Sciences, Seoul National University, Seoul, Korea.

5. Glasgow Polyomics, University of Glasgow, Glasgow, United Kingdom.

6. Department of Computing Science, University of Glasgow, Glasgow, United Kingdom.

7. Bioinformatics Group, Department of Plant Sciences, Wageningen University, Wageningen, The Netherlands.

Abstract

Keywords

natural products

specialised metabolites

molecular network

substructures

mass spectrometry fragmentation

metabolite annotation

molecular mining