Abstract:
A method for the rapid origin discrimination of 4 fragrance raw materials, including cinnamon oil, oakmoss absolute, broad bean flower tincture, and tamarind extract, was proposed by direct analysis in real time-high-resolution mass spectrometry (DART-HRMS) combined with chemometrics. For viscous, pasty, or powdery fragrance raw material samples, 1 g of the sample was placed in a centrifuge tube and 10 mL of methanol was added. The mixture was ultrasonic extracted for 20 min and filtered through the 0.22 μm polytetrafluoroethylene filter membrane, and the filtrate was collected. The liquid-state fragrance raw material samples were not pretreated. 5 μL of the above solution were pipetted onto the tip of a glass rod and air-dried for 10 min. Analysis was performed using a direct analysis in real time ion source at 300 ℃, with detection conducted in both positive and negative ion modes. Origin discrimination and key characteristic ions were identified by DART-HRMS combined with chemometric methods, including principal component analysis (PCA), hierarchical cluster analysis (HCA), and orthogonal partial least squares-discriminant analysis (OPLS-DA). As shown by the results, 4 fragrance raw material samples from different origins could be clearly distinguished by PCA. British origin cinnamon oil samples were markedly separated from those of Chinese and Indonesian origins by HCA. 27 key characteristic ions were screened from 6 cinnamon oil samples through OPLS-DA, and the ions at
m/
z 279.1562,
280.1595, and
230.1727 showed the highest abundance in the Chinese origin cinnamon oil samples; the ions at
m/
z 116.0775,
115.0741,
179.1259, and
362.2365 showed the highest abundance in the British origin cinnamon oil samples; while the remaining 20 key characteristic ions exhibited the highest abundance in the Indonesian origin cinnamon oil samples.