metabolite annotation
engine
HR imaging MS (LC-MS/MS)
molecular annotations
metabolic images
pathways analysis
Cell cultures
Microbial agar plates
Tissue sections
Metabolomics resources
Imaging software
repositories
LAPTOP, WORKSTATION, CLUSTER, CLOUD
Open-source, big data tech
Metaspace EU horizon2020 Project
@METASPACE2020
http:|| METASPACE2020.eu
Project overview Aims
Solving the problem of molecular annotation of HR imaging MS data Providing online engine Developing new algorithms Using modern big data technologies
Project partners
Theodore Alexandrov, EMBL (coordinator) Christoph Steinbeck, EMBL-EBI Lennart Martens, VIB Charles Pineau, URennes Zoltan Takats, Kirill Veselkov, ICL Pieter Dorrestein, UCSD Dennis Trede, SCiLS Oliver Panzer, ERS
funding European program Horizon 2020, Personalising Health and Care 2015-2018
Advisory board General
Metabolomics: Amanda Hummon, U Notre Dame Kristina Schwamborn, TU Munich
High-resolution mass spectrometry: Ljiljana Pasa-Tolic, PNNL Yury Tsybin, SpectroSwiss
Imaging mass spectrometry: Ron Heeren, Maastricht University Andreas Roempp, U Bayreuth Axel Walch, Helmholtz Center München
Bioinformatics: Sebastian Boecker, U Jena Michæl MacCoss, U Washington
Industry Vendors:
Alexander Makarov, Thermo Fisher Scientific James Langridge, Waters Michæl Becker, Bruker Daltonics Ann-Christin Niehoff, Shimadzu
Pharma: Steve Castellino, GSK Richard Goodwin, AstraZeneca Stacey Oppenheimer, Pfizer Sheerin K. Shahidi-Latham, Genentech Markus Stoeckli, Novartis Joining soon: Servier, Boeringer Ingelheim
Standardization
Journal editors: Richard Caprioli, Ed.-in-Chief J Mass Spectrom Roy Goodacre, Ed.-in-Chief Metabolomics Joseph A. Loo, Associate Ed. JASMS Jonathan Sweedler, Ed.-in-Chief Anal Chem Dietrich Volmer, Ed. Rapid Commun Mass Spec
Open access: Peter Murray-Rust, University of Cambridge
Community involvement Open-source
Open-source with permissive license (Apache 2.0) Open code repository (GitHub)
outreach Conferences, workshops, data analysis days First data analysis day in October 2016 Channels for community feedback (online, offline)
standardization Metabolomics Society Initiative Task Group Integration into journal requirements Cross-platform data comparison Standardized reporting to increase reproducibility
Opportunities for industry Key points
The engine will be released open-source Permissive license (Apache 2.0) for commercial/non-commercial use Main instance(s) will be available as a free service Deployment will be possible on a workstation, cluster, or cloud
Mass spectrometry vendors
Molecular annotation of data from customers Integration with existing software
pharma Integration into established imaging MS workflows Deployment into enterprise environment (workstation / cluster / cloud)
