Unsupervised Structural Classification of Dissolved Organic Matter Based on Fragmentation Pathways.

ABSTRACT: Dissolved organic matter (DOM) is considered an essential component of the Earth's ecological and biogeochemical processes. Structural information of DOM components at the molecular level remains one of the most extraordinary analytical challenges. Advances in determination of chemical formulas from the molecular studies of DOM have provided limited indications on structural signatures and potential reaction pathways. In this work, we extend the structural characterization of a wetland DOM sample using precursor and fragment molecular ions obtained by a sequential electrospray ionization-Fourier transform-ion cyclotron resonance tandem mass spectrometry (ESI-FT-ICR CASI-CID MS/MS) approach. The DOM chemical complexity resulted in near 900 precursors (P) and 24 000 fragment (F) molecular io

SUBMITTER: Leyva D 

PROVIDER: S-EPMC11293370 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature