Statistical Indices for Simultaneous Large-Scale Metabolite Detections for a Single NMR Spectrum

被引:106
作者
Chikayama, Eisuke [1 ]
Sekiyama, Yasuyo [1 ]
Okamoto, Mami [2 ]
Nakanishi, Yumiko [2 ]
Tsuboi, Yuuri [3 ]
Akiyama, Kenji [1 ]
Saito, Kazuki [1 ,4 ]
Shinozaki, Kazuo [1 ]
Kikuchi, Jun [1 ,2 ,5 ]
机构
[1] RIKEN, Plant Sci Ctr, Metabolome Res Grp, Tsurumi Ku, Kanagawa 2300045, Japan
[2] Yokohama City Univ, Grad Sch Nanobiosci, Tsurumi Ku, Kanagawa 2300045, Japan
[3] RIKEN, Adv Sci Inst, Wako, Saitama 3510198, Japan
[4] Chiba Univ, Grad Sch Pharmaceut Sci, Inage Ku, Chiba 2638522, Japan
[5] Nagoya Univ, Grad Sch Bioagr Sci, Chikusa Ku, Nagoya, Aichi 4640810, Japan
基金
日本科学技术振兴机构;
关键词
TOTAL CORRELATION SPECTROSCOPY; ARABIDOPSIS-THALIANA; METABOLOMICS; IDENTIFICATION; MIXTURES; PLANT; METABONOMICS; GENOMICS; REVEALS; SYSTEM;
D O I
10.1021/ac9022023
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
NMR-based metabolomics has become a practical and analytical methodology for discovering novel genes, biomarkers, metabolic phenotypes, and dynamic cell behaviors in organisms. Recent developments in NMR-based metabolomics, however, have not concentrated on improvements of comprehensiveness in terms of simultaneous large-scale metabolite detections. To resolve this, we have devised and implemented a statistical index, the SpinAssign p-value, in NMR-based metabolomics for large-scale metabolite annotation and publicized this information. It enables simultaneous annotation of more than 200 candidate metabolites from the single C-13-HSQC (heteronuclear single quantum coherence) NMR spectrum of a single sample of cell extract.
引用
收藏
页码:1653 / 1658
页数:6
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