The raw data processing resulted in the detection of 1,958 sets of signals corresponding to a chemical entity, also called features. MS 2 spectra similarity-based molecular network was generated using the Feature Based Molecular Network (FBMN) workflow (see GNPS platform ). The chromatographic peak shape correlation analysis was integrated into the molecular network by connecting and collapsing the different ion species of the same molecule via the Ion Identity Molecular Networking (IIMN), which enhances annotations within the fragmentation pattern similarity molecular network. Annotations of MS 2 spectra through spectral matching with reference spectra (FBMN) were improved through the use of an in silico approach known as Network Annotation Propagation (NAP), as well as employing a de novo strategy provided by the SIRIUS software