日本質量分析学会 第68回質量分析総合討論会会

演題概要

オーラルセッション

第3日 5月13日(水) 14:50~15:10 C会場(1101/02)

LC-HRMS, GC-O, GC-HRMS, 多変量解析の組み合わせによる水道水生ぐさ臭原因物質の探索

(1鹿児島大院理工2国保院)
o新福優太1高梨啓和1中島常憲1秋葉道宏2

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.