基于超高效液相色谱-四极杆-静电场轨道阱高分辨质谱法结合化学计量学鉴别新鲜和反复冻融牛肉

目的 建立超高效液相色谱-四极杆-静电场轨道阱高分辨质谱法(ultra performance liquid chromatography-quadrupole-orbitrap high resolution mass spectrometry,UPLC-Q-Orbitrap HRMS)结合化学计量学鉴别新鲜和反复冻...

Identification of fresh and frozen-thawed beef based on ultra performance liquid chromatography-quadrupole-orbitrap high resolution mass spectrometry combined with chemometrics

Objective The study was aimed to establish a method for the differentiation between fresh and frozen-thawed beef by ultra high liquid chromatography-quadrupole orbitrap mass spectrometry (UHPLC/Q-Orbitrap-MS) combined with chemometrics. Methods After sample pretreatment, UHPLC/Q-Orbitrap-MS was utilized to obtain fingerprint information of fresh and frozen-thawed beef. The data were analyzed by SIMCA software combined with pattern recognition method. And the principal component analysis (PCA) model and orthogonal partial least squares-discriminant analysis (OPLS-DA) model of fresh and frozen-thawed beef were established. Results The top 10 main components were selected using PCA model, which explained 70.9% of the total variance (R2), and 52.1% of predictive power (Q2). The results showed that PCA could effectively distinguish fresh and frozen-thawed beef. R2 and Q2 in the OPLS-DA model were both close to 1, indicating that the model had good predictive ability and accuracy. The variable importance factor (VIP) was applied to screened out 11 possible different metabolites during the frozen-thawed process. Through structural confirmation, lactic acid, nicotinic acid and tyramine were identified as biomarkers. Conclusion UHPLC/Q-Orbitrap-MS combined with chemometric has great potential in the rapid detection of fresh and frozen-thawed beef.