Fig. 2. Spectral networks for nine known and three previously unreported NRP families identified by NRPminer in the XPF dataset.

Each node represents a spectrum. The spectra of known NRPs (as identified by spectral library search against the library of all known compounds in GNPS) are shown with a dark blue border. A node is colored if the corresponding spectrum forms a statistically significant PSM and not colored otherwise. We distinguish between identified spectra of known NRPs with known BGCs³¹ (colored by light blue) and identified spectra of known NRPs (from xentrivalpeptide family) with previously unknown BGC (colored by dark green). Identified spectra of previously unreported NRPs from known NRP families (previously unreported NRP variants) are colored in light green. Identified spectra of NRPs from previously unreported NRP families are colored in magenta. Proteogomycins and xenoinformycin subnetworks represent previously unreported NRP families. The Xenoamicin-like subnetwork revealed a BGC family distantly related to xenoamicins (6 out 13 amino acids are identical). For simplicity only spectra at charge state +1 are used for the analysis.