Abstract
In metabolomic studies the identification of biomarkers is a key step but represents a serious bottleneck since the de novo identification of natural products is a lengthy process. A strategy for the dereplication and peak annotation of plant biomarkers is presented based on high resolution mass spectra acquired on a quadrupole-time-of-flight mass spectrometry coupled to ultra-high pressure liquid chromatography and chemotaxonomy information. A rational approach for the targeted LC-MS micro-isolation of biomarkers followed by de novo identification by NMR at the microgram scale is described, based on gradient transfer from the analytical scale and chromatographic modelling. The methodology is illustrated by the identification of various stress biomarkers of the plant wound response using Arabidopsis thaliana as a model.
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Acknowledgments
This work was supported by Swiss National Science Foundation grants no. 205320_135190 and CRSII3_127187. G.G. and J.L.W. are also grateful to the National Center of Competence in Research (NCCR) Plant Survival and to the Swiss Plant Science Web (SPSW).
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Eugster, P.J., Glauser, G., Wolfender, JL. (2013). Strategies in Biomarker Discovery. Peak Annotation by MS and Targeted LC-MS Micro-Fractionation for De Novo Structure Identification by Micro-NMR. In: Roessner, U., Dias, D. (eds) Metabolomics Tools for Natural Product Discovery. Methods in Molecular Biology, vol 1055. Humana Press, Totowa, NJ. https://doi.org/10.1007/978-1-62703-577-4_19
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DOI: https://doi.org/10.1007/978-1-62703-577-4_19
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