1H NMR spectrum carries signatures of white wine aroma

Wine is an experiential product, with sensory characteristics playing a key role in its appreciation. Various chemical constituents, including non-volatile, semi-volatile and volatile compounds, contribute to its sensory profile. This study aims to evaluate the effectiveness of proton nuclear magnetic resonance ( 1 H NMR) metabolomics to assess the aroma profile and structure of white wines. Metabolites such as acetate and glycerol were positively correlated with wine body and the perception of caramelised (acetate: R = 0.48, q < 0.001; glycerol: R = 0.48, q < 0.001) and dried and candied fruits (acetate: R = 0.49, q < 0.001; glycerol: R = 0.48, q < 0.001). The dried and candied fruits attribute was associated also with glucose (R = 0.41, q < 0.001) and fructose (R = 0.46, q < 0.001), while tropical fruits notes were linked to proline (R = 0.42, q < 0.001) and acetate (R = 0.41, q < 0.001). Although acetate and glycerol levels were independent of grape variety, the concentrations of proline, glucose, and fructose exhibited variety-dependent differences. 1 H NMR metabolomics, though less complex than panels or volatile compound analysis, can uncover specific aroma-related features and maximise the information extracted from a single spectrum. Already applied in wine quality and authenticity assessments, this approach may support winemakers in estimating sensory profiles, offering a valuable tool for monitoring wine production and characterisation. • Proline and acetate associated with tropical fruit aroma (R ≈ 0.41–0.42). • 1 H NMR revealed sensory-relevant metabolites in a single spectrum analysis. • Acetate and glycerol linked to body and caramelised fruit notes (R = 0.48). • Glucose and fructose correlated with dried and candied fruits (R > 0.40). • Variety affected proline, glucose, fructose, but not acetate or glycerol levels.