Individual feature lists were aligned using a RT tolerance of 0.05 min, a m/z tolerance of 10 ppm, a weight for m/z of 2 and a weight for RT of 1. At this point, only features with a corresponding MS/MS spectrum, at least 2 features in the 13 C isotope pattern and a RT between 0.5 and 15.5 min were kept. For IIN, correlated features were grouped using the metaCorrelate module (RT tolerance of 0.05 min, no minimal feature height, and an intensity correlation threshold of 10,000). Finally, adducts were annotated for correlated features using the IIN module with a m/z tolerance of 10 ppm and no minimal feature height. Files (.mgf spectra file, .csv features quantification table and .csv IIN edges file) were exported for IIFBMN using the export to GNPS -FBMN module.