Fig. 7: SOM-clustering for different chemical spaces.

CHO1-4S (panels A–D) and CHO (pannels E–H) subspaces colored by their maximum peak intensity through SOM-clustering, showing predominantly earlier peak times for compounds with high sulfur numbers. Green color indicates early peak times and evolves to violet for later emerging compounds. Pie charts on the right side of the plots show the percentage of annotations for the different peak times/clusters.