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<p>Dissolved organic matter (DOM) is an important reservoir of organic carbon ubiquitously present in various environmental systems. However, information regarding the chemodiversity of groundwater DOM at the molecular level is still limited. Herein, the Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was used to characterize the molecular composition and chemodiversity of groundwater DOM from the Jianghan Plain, China. Overall, the groundwater DOM was mainly composed of CHO molecules, followed by CHON and CHOS molecules. Results of the Kendrick mass defect (KMD)-based homologous analysis revealed that the majority of CH<sub>2</sub>-homologue, H<sub>2</sub>O-homologue, and COO-homologue series generally have 2 to 8, 2 to 6, and 2 to 6 formulae for a given homologous series, respectively. The positive correlation observed among functional diversity indices suggesting that the chemodiversity of groundwater DOM is largely governed by their molecular characteristics could be quantified by the molecular parameter-based functional diversity. The higher functional diversity of unique molecules than common molecules suggests its potential role in tracing the transformation of DOM in various environments. The findings of this study are expected to deepen the understanding of chemical composition and structure, degradation and transformation of groundwater DOM, and its biogeochemical cycle in groundwater and surface water.</p>

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Chemodiversity of Dissolved Organic Matter in Groundwater Elucidated by the Ultrahigh-Resolution Mass Spectrometry: A Case Study of the Jianghan Plain, China

  • 期刊论文

  • 发表日期：

    2026年4月8日

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  • Jingjing Sun,
  • Ying Liang,
  • Qing-Long Fu

摘要

Dissolved organic matter (DOM) is an important reservoir of organic carbon ubiquitously present in various environmental systems. However, information regarding the chemodiversity of groundwater DOM at the molecular level is still limited. Herein, the Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was used to characterize the molecular composition and chemodiversity of groundwater DOM from the Jianghan Plain, China. Overall, the groundwater DOM was mainly composed of CHO molecules, followed by CHON and CHOS molecules. Results of the Kendrick mass defect (KMD)-based homologous analysis revealed that the majority of CH2-homologue, H2O-homologue, and COO-homologue series generally have 2 to 8, 2 to 6, and 2 to 6 formulae for a given homologous series, respectively. The positive correlation observed among functional diversity indices suggesting that the chemodiversity of groundwater DOM is largely governed by their molecular characteristics could be quantified by the molecular parameter-based functional diversity. The higher functional diversity of unique molecules than common molecules suggests its potential role in tracing the transformation of DOM in various environments. The findings of this study are expected to deepen the understanding of chemical composition and structure, degradation and transformation of groundwater DOM, and its biogeochemical cycle in groundwater and surface water.