The Mass Spectrometry society of Japan - The 68th Annual Conference on Mass Spectrometry, Japan

Abstract

Poster Presentations

Day 3, May 13(Wed.)  Poster (1008/09)

Exploration of a Causative Compound of Fishy Smell in Raw Waters For Taps by Combining LC-HRMS, GC-O, GC-HRMS, and Multivariate Analyses

(1Kagoshima Univ., 2Nat. Inst. Pub. Health)
oYuta Shinfuku1, Hirokazu Takanashi1, Tsunenori Nakajima1, Michihiro Akiba2

Few papers have been reported so far which successfully identified a causative compound of fishy-smell, the second most common off-flavor of tap water in Japan. The objective of this study is, therefore, to explore a causative compound of fishy-smell and partially estimate its structure. The authors previously attempted to achieve this by analyzing raw water samples and Uroglena americana (U. americana) culture media with liquid chromatography–high-resolution mass spectrometer (LC-HRMS), gas chromatography-olfactometry-high resolution mass spectrometer (GC-O-HRMS), differential analysis, and Orthogonal Projections to Latent Structures regression analysis (OPLS-RA). This resulted in acquiring one candidate substance with the molecular formula of C13H20O3 and its structure was partially estimated. In this study, more detailed GC-O analysis and the structural elucidation of the candidate substance were performed. As a result, GC-O analysis of the candidate substance showed that it has a milk-like smell. Other two smells were also detected with high reproducibility, suggesting that the smell is caused by multiple substances. LC-MS/MS analysis of the candidate substance showed that it contains a hydroxyl group, a cyclohexene ring, and a ketone moiety.