Fig. 6: Detailed excerpts of the mass difference networks for selected hops rich beer-type markers and wheat grain markers.

The nodes represent the annotated ions with given sum formulae or molecule names. They are connected by edges representing the sum formula differences for the hops rich beer-type markers (a) and the biochemical reaction for the wheat grain markers (b), respectively. All nodes depicted are considered marker substances. Wheat grain markers are additionally characterized by UPLC-MS2 of wheat beer sample 41 with literature matching retention time order and MS2-spectra showing respective fragmentation and mass difference pattern (c)32,39.