Educational Materials

Teaching materials

A three day EDA-EMERGE training course block on Chemometrics, LC-LTQ Orbitrap MSn and computer tools for chemical structure generation and elucidation, and on using R for multivariate statistics.

The lecture taught jointly by Oliver Kohlbacher (University of Tübingen) and Knut Reinert (FU Berlin) details key algorithms in computational mass spectrometry. The series of 12 video lectures (1.5 hours each) is available for free on the video lecture server of the University of Tübingen. 

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 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.

The first session on the first afternoon was a general information and discussion session where attendees were updated on the activities within NORMAN MassBank. On the second day, Institutes/Participants wishing to contribute data to NORMAN MassBank had the opportunity to bring their own data, create and upload MassBank records of their own substances, with support provided by the team developing RMassBank.

This workshop welcomed participants and speakers from all over Europe (and USA) to give an overview on the current trends and future developments of non-target screening.

Related initiatives

Contains various mass spectrometry-related learning units.

Contains numerous resources on bioinformatics training in general as well as some MS-related courses.