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Anal. Chem. 2010, 82, 8095–8105
Mass Spectrometry-Based Fragmentation as an
Identification Tool in Lignomics
Kris Morreel,*,†,‡ Hoon Kim,§ Fachuang Lu,§ Oana Dima,†,‡ Takuya Akiyama,| Ruben Vanholme,†,‡
Claudiu Niculaes,†,‡ Geert Goeminne,†,‡ Dirk Inze´ ,†,‡ Eric Messens,†,‡ John Ralph,§ and
Wout Boerjan*,†,‡
Department of Plant Systems Biology, VIB, B-9052 Ghent, Belgium, Department of Plant Biotechnology and Genetics,
Ghent University, B-9052 Ghent, Belgium, Department of Biochemistry and DOE Great Lakes Bioenergy Research
Center, University of Wisconsin, Madison, Wisconsin 53706, and Department of Biomaterial Sciences, Graduate
School of Agricultural and Life Sciences, The University of Tokyo, Tokyo 113-8657, Japan
The ensemble of all phenolics for which the biosynthesis (H), guaiacyl (G), and syringyl (S) units derived from the
is coregulated with lignin biosynthesis, i.e., metabolites combinatorial coupling of p-coumaryl, coniferyl, and sinapyl
from the general phenylpropanoid, monolignol, and (neo)- alcohols (Figure 1A),1 the so-called monolignols that are produced
lignan biosynthetic pathways and their derivatives, as well by the general phenylpropanoid and monolignol biosynthetic
as the lignin oligomers, is coined the lignome. In lignifying pathways.2-5 Following oxidation by peroxidase and/or laccase,
tissues, the lignome comprises a significant portion of the the resulting electron-delocalized monolignol radical has unpaired
metabolome. However, as is true for metabolomics in electron density at its 1-, 3-, O-4-, 5-, and 8-positions (Figure 1B).
general, the structural elucidation of unknowns represents As radical coupling at the 8-positi
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