Comparison of Untargeted and Markers Analysis of Volatile Organic Compounds with SIFT-MS and SPME-GC-MS to Assess Tea Traceability

Tea is one of the most consumed beverages in the world and presents a great aromatic diversity depending on the origin of the production and the transformation process. Volatile organic compounds (VOCs) greatly contribute to the sensory perception of tea and are excellent markers for traceability and quality. In this work, we analyzed the volatile organic compounds (VOCs) emitted by twenty-six perfectly traced samples of tea with two analytical techniques and two data treatment strategies. First, we performed headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS) as the most widely used reference method for sanitary and quality controls of food. Next, we analyzed the samples with selected-ion flow-tube mass spectrometry (SIFT-MS), an emerging method for direct analysis of food products and aroma. We compared the performances of both techniques to trace the origin and the transformation processes. We selected the forty-eight most relevant markers with HS-SPME-GC-MS and evaluated their concentrations with a flame ionization detector (FID) on the same instrument. This set of markers permitted separation of the origins of samples but did not allow the samples to be differentiated based on the color. The same set of markers was measured with SIFT-MS instrument without success for either origin separation or color differentiation. Finally, a post-processing treatment of raw data signals with an untargeted approach was applied to the GC-MS and SIFT-MS dataset. This strategy allowed a good discrimination of origin and color with both instruments. Advantages and drawbacks of volatile profiles with both instruments were discussed for the traceability and quality assessment of food.