Ultrahigh-Resolution Mass Spectrometry Advances for Biogeochemical Analysis: From Seafloor Sediments to Petroleum and Marine Oil Spills.

Abstract

This Perspective explores the transformative impact of ultrahigh-resolution mass spectrometry (UHR-MS), particularly Fourier transform ion cyclotron resonance (FT-ICR-MS), in the characterization of complex environmental and petroleum samples. UHR-MS has significantly advanced our ability to identify molecular formulas in complex mixtures, revolutionizing the study of biogeochemical processes and organic matter evolution on wide time scales. We start by briefly reviewing the main technological advances of UHR-MS in the context of petroleum and environmental applications, highlighting some of the challenges of the technology such as quantitation and structural identification. We then showcase a selection of impactful applications published in the last 20+ years. In the field of environmental lipidomics, high-resolution analysis of lipids in sediments enables multiproxy studies and provides novel insights into past environmental conditions. UHR-MS has also facilitated the characterization of kerogen, a complex, poorly soluble mixture formed from sedimented organic matter over geological time scales, and the identification of polar compounds within its fractions. In petroleum (geo)chemistry, UHR-MS has enabled the identification of biomarkers such as petroporphyrins, asphaltenes, and high-molecular-weight naphthenic acids, shedding light on the molecular complexity of crude oil. The application of UHR-MS in oil spill science has revealed significant molecular transformations during weathering processes, such as photo-oxidation, which are crucial for assessing the environmental impact of past spills and improving the preparedness for future spills. These advancements underscore the role of this maturing analytical technology in deepening our understanding of geochemical processes and biogeochemical cycles, highlighting its potential for future research directions in organic geochemistry.