Bowen, Benjamin

Environmental Molecular Network (ENVnet) v1

Here, we present an approach that integrates mass difference based deconvolution with molecular networking to build a static reference network from all publicly available organic matter metabolomics datasets. This is accomplished using MS/MS deconvolution coupled with both recently reported (BUDDY) and novel machine learning algorithms to determine chemical formulas and perform MS/MS alignments (REM-BLINK).