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Expansion of the composition library for chemodiversity of hardwood extractives at molecular level by ultrahigh-resolution mass spectrometry

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Abstract

To enhance the characterization of wood extractives at molecular level, a detailed ultrahigh-resolution mass spectrometry (UHRMS)–based analytical methodology was developed in this work. The analytical strategies, including selection of compatible solvent for extraction, evaluation of ionization solvent for effective electrospray ionization, and multi-dimensional data analysis, were established to ensure a comprehensive characterization of complex compositions in wood extractives. Extraction capability of seven solvents with varied polarities was examined by a standard reference material of hardwood biomass and evaluated based on thousands of compounds which were much more than those discovered before. With a variety of data-processing approaches, including compound type distribution, double bond equivalent versus carbon number plot, and van Krevelen diagram, the chemodiversity of the extractives was fully explored from different perspectives. This work greatly expanded the compound library of wood extractives and could also provide guidance for the integrated composition analysis of other biomass materials.

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Funding

This work was financially supported by the National Natural Science Foundation of China (No. 21874153) and Science Foundation of China University of Petroleum, Beijing (No. 2462017BJB09).

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Author notes

  1. Wenya Hu and Chang Samuel Hsu contributed equally to this work.

Authors and Affiliations

  1. State Key Laboratory of Heavy Oil Processing, China University of Petroleum-Beijing, Beijing, 102249, China

    Wenya Hu, Qiong Pan, Yinghao Wang, Dongze Li, Yanfen Zhang, Yehua Han & Chang Samuel Hsu

  2. Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, China

    Honggang Nie

  3. Department of Chemical and Biomedical Engineering, Florida A&M University/Florida State University, Tallahassee, FL, 32310, USA

    Chang Samuel Hsu

  4. Petro Bio Oil Consulting, Tallahassee, FL, 32312, USA

    Chang Samuel Hsu

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  1. Wenya Hu
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Correspondence to Yehua Han.

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Hu, W., Pan, Q., Wang, Y. et al. Expansion of the composition library for chemodiversity of hardwood extractives at molecular level by ultrahigh-resolution mass spectrometry. Anal Bioanal Chem 414, 2687–2698 (2022). https://doi.org/10.1007/s00216-022-03909-8

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