論文 - 詳細
| RRC ID | 30979 |
|---|---|
| 著者 | Sawada Y, Nakabayashi R, Yamada Y, Suzuki M, Sato M, Sakata A, Akiyama K, Sakurai T, Matsuda F, Aoki T, Hirai MY, Saito K. |
| タイトル | RIKEN tandem mass spectral database (ReSpect) for phytochemicals: a plant-specific MS/MS-based data resource and database. |
| ジャーナル | Phytochemistry |
| Abstract |
The fragment pattern analysis of tandem mass spectrometry (MS/MS) has long been used for the structural characterization of metabolites. The construction of a plant-specific MS/MS data resource and database will enable complex phytochemical structures to be narrowed down to candidate structures. Therefore, a web-based database of MS/MS data pertaining to phytochemicals was developed and named ReSpect (RIKEN tandem mass spectral database). Of the 3595 metabolites in ReSpect, 76% were derived from 163 literature reports, whereas the rest was obtained from authentic standards. As a main web application of ReSpect, a fragment search was established based on only the m/z values of query data and records. The confidence levels of the annotations were managed using the MS/MS fragmentation association rule, which is an algorithm for discovering common fragmentations in MS/MS data. Using this data resource and database, a case study was conducted for the annotation of untargeted MS/MS data that were selected after quantitative trait locus analysis of the accessions (Gifu and Miyakojima) of a model legume Lotus japonicus. In the case study, unknown metabolites were successfully narrowed down to putative structures in the website. |
| 巻・号 | 82 |
| ページ | 38-45 |
| 公開日 | 2012-10-1 |
| DOI | 10.1016/j.phytochem.2012.07.007 |
| PII | S0031-9422(12)00310-X |
| PMID | 22867903 |
| MeSH | Databases, Factual* Internet Lotus / metabolism Metabolomics Plants / metabolism* Species Specificity Tandem Mass Spectrometry* |
| IF | 3.044 |
| 引用数 | 135 |
| WOS 分野 | PLANT SCIENCES BIOCHEMISTRY & MOLECULAR BIOLOGY |
| オルトメトリクス指標 |
オルトメトリクス指標項目
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| 最多言及媒体 | X(Twitter) |
| 各媒体での言及数の合計 | 1 |
| 過去6か月間でのオルトメトリクス指標の変動値 | 0.0 |
| リソース情報 | |
| ミヤコグサ・ダイズ | RIL (L. japonicus) |