Analysis of Near-Infrared Spectral Properties and Quantitative Detection of Rose Oxide in Wine

This study aims to investigate the near-infrared spectral properties of Rose Oxide (4-Methyl-2-(2-methyl-1-propenyl) tetrahydropyran) in wine, establish a quantitative detection, and build relationships between chemical groups characteristic bands, so as provide ideas references for detection low-content aroma substance wine. In total, 133 samples with different wine matrices were analyzed using Fourier transform–near-infrared (FT-NIR) spectroscopy. Min–max normalization (MMN), principal component analysis (PCA), synergy interval partial least squares regression (Si-PLSR) used pre-processing, outlier rejection, properties, modeling. Finally, model was established PLSR method sample containing verified externally. Eight subintervals (4000–4400 cm−1, 4400–4800 5600–6000 6000–6400 6400–6800 6800–7200 7200–7600 8400–8800 cm−1) determined band intervals NIR region. Among them, cm−1 assigned first overtone C–H stretching tetrahydropyran ring methyl well combination CH3 function groups, C–H=group C=C isobutyl, second C–O vibration methyl. addition, 4000–4800 vibration, while 6400–7600 vibration. The training result showed that calibration (rcv2 0.96 RMSECV 2.33) external validation 0.84 2.72) acceptable, indicating good predictive ability. assignment provides new way other terpenes use Si-PLSR rapid determination content is feasible.