The 10th Asia-Oceania Mass Spectrometry Conference (AOMSC2025) - organized by the Mass Spectrometry Society of Japan

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Day 2, June 23(Mon.) 

Room P (Maesato East, Foyer, Ocean Wing)

A metabolomic study of distinguishing roasted coffee beans from Taiwan and Brazil.

(1BCST, NCYU, 2IMB, NCHU, 3APBC, NCHU, 4CMS, CMU, 5CITFA, NCYU)
oJyun Cih Jian1, Chien-Chen Lai2,3,4, Han-Ju Chien1,5

Coffee is one of the most important agricultural commodities and has the unique organoleptic characteristics. However, among the coffee beans imported to Taiwan, Brazil is the primary exporter. To ensure the quality of locally produced coffee beans and prevent cross-contamination of coffee bean varieties, origin identification has become a crucial issue. This study employs a quadrupole time-of-flight mass spectrometer (Q-TOF-MS) in conjunction with a novel research technique—integrated full-scan and data-dependent acquisition (IFSDDA)—which combines the advantages of full scan (FS) and data-dependent acquisition (DDA) to enhance both quantitative and qualitative analytical performance. Through multivariate statistical analysis, metabolic differences between Taiwanese and Brazilian coffee beans were identified. Orthogonal partial least squares discriminant analysis (OPLS-DA) successfully classified the Taiwanese and Brazilian coffee beans into two distinct groups, and permutation results showed no overfitting of the model. Additionally, by pairing and screening the IFSDDA analysis data, four compounds with significant differences were identified through ROC curve analysis, demonstrating an accuracy of over 95% and a Fisher's probability value less than 0.05: Glaucolide B, Eudraflex, C16 sphinganine (1+), and Isobutyl N-methylanthranilate. These compounds will be further validated for future source identification and variety adulteration detection.