title: Toward better annotation in plant metabolomics: isolation and structure elucidation of 36 specialized metabolites fromOryza sativa(rice) by using MS/MS and NMR analyses.
abstract: Metabolomics plays an important role in phytochemical genomics and crop breeding; however, metabolite annotation is a significant bottleneck in metabolomic studies. In particular, in liquid chromatography-mass spectrometry (MS)-based metabolomics, which has become a routine technology for the profiling of plant-specialized metabolites, a substantial number of metabolites detected as MS peaks are still not assigned properly to a single metabolite.Oryza sativa(rice) is one of the most important staple crops in the world. In the present study, we isolated and elucidated the structures of specialized metabolites from rice by using MS/MS and NMR. Thirty-six compounds, including five new flavonoids and eight rare flavonolignan isomers, were isolated from the rice leaves. The MS/MS spectral data of the isolated compounds, with a detailed interpretation of MS fragmentation data, will facilitate metabolite annotation of the related phytochemicals by enriching the public mass spectral data depositories, including the plant-specific MS/MS-based database, ReSpect.
authors: RIKEN Center for Sustainable Resource Science, 1-7-22 Suehiro, Tsurumi, Yokohama, Kanagawa 230-0045 Japan.
authors: Zhigang
authors: Z
authors: Yang
authors: RIKEN Center for Sustainable Resource Science, 1-7-22 Suehiro, Tsurumi, Yokohama, Kanagawa 230-0045 Japan.
authors: Ryo
authors: R
authors: Nakabayashi
authors: RIKEN Center for Sustainable Resource Science, 1-7-22 Suehiro, Tsurumi, Yokohama, Kanagawa 230-0045 Japan.
authors: Yozo
authors: Y
authors: Okazaki
authors: RIKEN Center for Sustainable Resource Science, 1-7-22 Suehiro, Tsurumi, Yokohama, Kanagawa 230-0045 Japan.
authors: Tetsuya
authors: T
authors: Mori
authors: School of Pharmacy, Nihon University, 7-7-1 Narashinodai, Funabashi, Chiba 274-8555 Japan.|School of Pharmacy, Showa University, 1-5-8 Hatanodai, Shinagawa, Tokyo 142-8555 Japan.
authors: Satoshi
authors: S
authors: Takamatsu
authors: School of Pharmacy, Nihon University, 7-7-1 Narashinodai, Funabashi, Chiba 274-8555 Japan.
authors: Susumu
authors: S
authors: Kitanaka
authors: RIKEN Center for Sustainable Resource Science, 1-7-22 Suehiro, Tsurumi, Yokohama, Kanagawa 230-0045 Japan.
authors: Jun
authors: J
authors: Kikuchi
authors: RIKEN Center for Sustainable Resource Science, 1-7-22 Suehiro, Tsurumi, Yokohama, Kanagawa 230-0045 Japan.|Graduate School of Pharmaceutical Sciences, Chiba University, 1-8-1 Inohana, Chiba, 260-8675 Japan.
authors: Kazuki
authors: K
authors: Saito
keywords: Flavonoid; Nuclear magnetic resonance (NMR); Oryza sativa; Rice; Specialized metabolites; Tandem mass spectrometry (MS/MS)