The Feature-Based Molecular Networking analyses, for both ionization modes, were created with the default parameters on the GNPS website (documentation). The precursor ion mass tolerance was 0.02 Da with an MS 2 fragment ion tolerance of 0.02 Da. The edges were filtered for a cosine score above 0.7 and at least 6 matched peaks. For the GNPS automatic library search, all matches were required to have a score above 0.6, and at least three matched peaks. The jobs can be found here: PI and NI (See Figure ).