The IPB has once again been recognized for its exemplary actions in terms of equal opportunity-oriented personnel and organizational policies and has received the TOTAL E-QUALITY certification for the…
The Plant Science Student Conference (PSSC) has been organised by students from the two Leibniz institutes, IPK and IPB, every year for the last 20 years. In this interview, Christina Wäsch (IPK) and…
Previous chapters have introduced protocols and examples for high‐throughput metabolomics experiments. Metabolite identification is an important step in these experiments, bridging the metabolomics experiment, metabolite profiling, and the biological interpretation of the results. The elemental composition of the individual metabolites is the most basic information that can be calculated already from the mass spectrometry (MS) profiling data. For a more thorough identification, the “interesting” peaks are subjected to MS2, or even higher‐order MSn measurements. Such spectra carry rich structural hints, revealing building blocks of the unknown compound, or allowing comparison with databases of reference spectra. This chapter describes a general strategy to identify metabolites, and proceeds through the steps of the identification for two example compounds, first calculating elemental compositions, performing in silico identification without reference spectra, and finally spectral library lookup.