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NORMAN MassBank training
NORMAN MassBank Training Workshop
Amsterdam (NL), 27 November 2012
The identification of polar organic compounds and their transformation products in the environment, as well as their potential adverse effects are of constant concern for prioritisation of relevant emerging pollutants. The NORMAN Network launched an open-access mass spectral database in 2011, the NORMAN MassBank (http://massbank.normandata.eu/MassBank), with the aim to improve the identification of unknown compounds in environmental samples.
This workshop, organised by the NORMAN Association in collaboration with UFZ - Helmholtz Centre for Environmental Research (Germany) and Eawag - Swiss Federal Institute of Aquatic Science and Technology (Switzerland) as part of the NORMAN Working Group on Effect Directed Analysis, was aimed at bringing together environmental chemists who are planning to share their mass spectral data with NORMAN MassBank community from any kind of mass spectral data independent from machine types and analytical settings.
The aim of the workshop was to show (1) how mass spectra could be provided easily to MassBank and (2) how everybody could benefit from MassBank using different software tools for the evaluation of their own mass spectra.
About 40 experts from research organisations, instrument vendors and industry representatives attended this meeting. The introductory session included presentations by Prof. Takaaki Nishioka, from Nara Institute of Science and Technology (Japan) on MassBank, Michael Gerlich, from IPB Halle (Germany) on MetFusion, Dr. Annemieke Kolkman from KWR, (The Netherlands on the KWR UVtoNIST converter) and Dr. Emma Schymanski from Eawag, (Switzerland) on RMassBank. The afternoon session included an in-depth introduction to the use of MassBank and MetFusion and discussion on future developments. Finally, an interactive session with practical exercises on RMassBank was provided.
WORKSHOP PROGRAM AND PRESENTATIONS
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Welcome by Tobias Schulze
(UFZ) -
RMassBank : Processing Tandem HR-MS spectra for MassBank
Emma Schymanski, (EAWAG) -
MetFusion: Integration of Compound Identification Strategies
Michael Gerlich, (IPB Halle) -
Towards Uniform UV-spectra (UV2NIST)
Annemieke Kolkman, (KWR) -
Norman MassBank: Status and Future Plans
Tobias Schulze, ((UFZ)) -
Interactive Demonstration of NORMAN MassBank
Tutorial
Tobias Schulze, Emma Schymanski, Michael Gerlich -
Planning and Brainstorming for User Feedback and Discussion
Takaaki Nishioka, Tobias Schulze ,Emma Schymanski -
Discussion of Selected Topics
Participants to form small groups to discuss topics of interest -
Interlaboratory study on passive sampling - Study design and organisation
Emma Schymanski -
Parallel: Additional discussions / Free time to try MassBank / MetFusion
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Wrap-up and Future Planning
Tobias Schulze