SE51:/S01
From Metabolonote
Sample Set Information
| ID | SE51 |
|---|---|
| Title | RIKEN tandem mass spectral database (ReSpect) for phytochemicals: A plant-specific MS/MS-based data resource and database |
| Description | 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. |
| Authors | Yuji Sawada, Ryo Nakabayashi, Yutaka Yamada, Makoto Suzuki, Muneo Sato, Akane Sakata, Kenji Akiyama, Tetsuya Sakurai, Fumio Matsuda, Toshio Aoki, Masami Yokota Hirai, Kazuki Saito |
| Reference | Sawada Y et al. (2012) Phytochemistry 82: 38-45 |
| Comment |
The raw data files are available at DROP Met web site in PRIMe database of RIKEN.
Sample Information
| ID | S01 |
|---|---|
| Title | L. japonicus accessions |
| Organism - Scientific Name | Lotus japonicus |
| Organism - ID | NCBI taxonomy:34305 |
| Compound - ID | |
| Compound - Source | |
| Preparation | The L. japonicus accessions (MG-20 and B-129) and mapping population of 129 recombinant inbred lines (RILs) have been described in detail elsewhere (Gondo et al., 2007; Hayashi et al., 2001; Kawaguchi et al., 2001; Klein and Grusak, 2009). |
| Sample Preparation Details ID | |
| Comment |
