biostudies-literatureUnknown9Pieczonka SAHere, we report a non-targeted analytical approach to investigate the influence of different starch sources on the metabolic signature in the final beer product. An extensive sample set of commercial beers brewed with barley, wheat, corn and/or rice were analyzed by both direct infusion Fourier transform ion cyclotron mass spectrometry (DI-FTICR MS, 400 samples) and UPLC-ToF-MS (100 samples). By its unrivaled mass resolution and accuracy, DI-FTICR-MS was able to uncover the compositional space of both polar and non-polar metabolites that can be traced back to the use of different starch sources. Reversed phase UPLC-ToF-MS was used to access information about molecular structures (MS²-fragmentation spectra) and isomeric separation, with a focus on less polar compounds. Both analyFrontiers in chemistry715372https://www.ebi.ac.uk/biostudies/studies/S-EPMC8329485biostudies-literatureOn the Trail of the German Purity Law: Distinguishing the Metabolic Signatures of Wheat, Corn and Rice in Beer.PMC8329485Rychlik MParavicini SSchmitt-Kopplin PPieczonka SAfalseOn the Trail of the German Purity Law: Distinguishing the Metabolic Signatures of Wheat, Corn and Rice in Beer.Here, we report a non-targeted analytical approach to investigate the influence of different starch sources on the metabolic signature in the final beer product. An extensive sample set of commercial beers brewed with barley, wheat, corn and/or rice were analyzed by both direct infusion Fourier transform ion cyclotron mass spectrometry (DI-FTICR MS, 400 samples) and UPLC-ToF-MS (100 samples). By its unrivaled mass resolution and accuracy, DI-FTICR-MS was able to uncover the compositional space of both polar and non-polar metabolites that can be traced back to the use of different starch sources. Reversed phase UPLC-ToF-MS was used to access information about molecular structures (MS²-fragmentation spectra) and isomeric separation, with a focus on less polar compounds. Both analy2021-01-01T00:00:00Z20212025-05-31T23:33:22.966Z2025-05-31T23:33:22.966ZS-EPMC83294853435498010.3389/fchem.2021.715372