Investigation with ESI FT-ICR MS on sorbent selectivity and comprehensive molecular composition of landfill leachate...

Molecular characterization of landfill leachate dissolved organic matter (LDOM) is essential for developing effective processing techniques. However, the molecular selectivity of extraction method and ionization modes often leads to the bias of molecular characterization of LDOM. Here, seven representative sorbents were selected and electrospray ionization negative ion mode (ESI (-)) and positive ion mode (ESI (+)) Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS) were used to investigate the molecular composition of different LDOM samples. Obvious sorbent selectivity during extraction procedure was observed, resulting in the underestimation of molecular diversity of LDOM from 32.7% to 69.3%. Totally, 14,000-18,000 unique molecules were obtained in a single sample, indicating the unprecedented molecular diversity of LDOM. Lignins, proteins and lipids are three major molecular groups in LDOM, and N or S containing molecules occupied 83%. Although much of total organic carbon was removed during biochemical treatment process, the molecular diversity of LDOM was not reduced because a considerable of bio-recalcitrant molecules was produced. The results uncover the sorbents selectivity and ionization modes selectivity in LDOM analysis and provided a comprehensive change of LDOM molecular composition during biochemical treatment, which benefits the development of accurate methods to remove organic carbon in landfill leachate.