WORKSHOP IN MASS SPECTROMETRY-BASED UNTARGETED METABOLOMICS

GNPS MOLECULAR NETWORNIKG & MS2LDA UNSUPERVISED SUBSTRUCTURE DISCOVERY

DATE
Friday 28 June 10 am – 3 pm
VENUE
Lecture Hall, Institute of Microbiology, Videnska 1083, Praha 4, Czech Republic; map
PUBLIC TRANSPORT
Metro C to Kacerov + Bus 138 (10 min) to Ustavy Akademie ved (final stop)
REGISTRATION DEADLINE
Monday 13 May 2019; register for workshop here
REGISTRATION FEE
0 CZK for members of the Czech Society for Mass Spectrometry (CSMS)
CSMS membership - 300 CZK (200 CZK students) (registration for membership)
500 CZK after the registration deadline or for CSMS non-members (paid in cash at the event)
To register without CSMS membership, please write to kamenik@biomed.cas.cz
WORKSHOP RATIONALE
Untargeted mass spectrometric analysis has become one of the most commonly used analytical platforms in metabolomics experiments. However, structural annotation and identification of thousands of chemicals found within complex mixtures remain among the major bottlenecks often hindering biological interpretation. GNPS and MS2LDA provide solutions towards enhanced metabolome mining, metabolome visualization in a context of metadata, and structural annotation. This workshop will enhance the toolkit of the modern metabolomics researcher in maximizing structural information retrieved from a metabolomics experiment as well as highlighting the importance and benefits of data sharing.
WORKSHOP DESCRIPTION AND FORMAT
Presentations & hands-on session – participants will submit example mass spectrometry data to GNPS and browse through the results and they will perform MS2LDA substructure discovery. Furthermore, we will demonstrate feature-based molecular networking using data pre-processed with MZmine. The sessions will be interactive with plenty of room for questions and feedback from the participants. Every participant dealing or planning to deal with MS data processing for untargeted metabolomics will benefit from attending this event.
TUTORS
Ming Wang - University of California, San Diego, USA
Louis-Felix Nothias – University of California, San Diego, USA
Riya C. Menezes – Max Planck Institute for Chemical Ecology, Germany
Justin van der Hooft – Wageningen University, Netherlands
Robin Schmid – University of Münster, Germany
Zdenek Kamenik – Institute of Microbiology, Czech Republic
EQUIPMENT AND PREREQUISITE
Participants are supposed to bring their own laptop or they may also share devices. No skills in programming or bioinformatics are required. Understanding the structure of mass spectrometry data (MS versus MS/MS spectra) and a general concept of untargeted metabolomics will be useful.
NUMBER OF PARTICIPANTS
The number of participants is limited; we will accept the participants based on a first come first served basis. We will send an e-mail confirming your attendance immediately after the registration deadline.
LANGUAGE
English
CATERING
Coffee before/during workshop
Lunch at the canteen in the campus (12 am) – lunch cost (approx. 100,- CZK) is not covered by the organizers
BBQ after the workshop (starting 3pm) – provided by the organizers for free
MORE INFO - LINKS
GNPS documentation
MS2LDA web page
CONTACT – QUESTIONS
Zdenek Kamenik (kamenik@biomed.cas.cz)

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