MATLAB code and raw data (mzXML) for one headwater stream, three rivers, one fjord and one seawater sample

Molecular complexity is an inherent feature of dissolved organic matter (DOM), confounding investigations into its nature. Recent research has suggested that this complexity may explain the persistence of DOM due to the implied low abundance of individual compounds. Here, we use chromatographic separation and collision induced dissociation of deprotonated molecules to demonstrate the extreme isomeric complexity of individual molecular formulas in DOM and show that isomeric complexity occurs across diverse aquatic environments.
This raw data was generated by HPLC-Orbitrap and can be manipulated to produce the figures etc. of Hawkes et al. (2018) with the Matlab code available.