Statistical indices for simultaneous large-scale metabolite detections for a single NMR spectrum.
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 (13)C-HSQC (heteronuclear single quantum coherence) NMR spectrum of a single sample of cell extract.
Metabolome Research Group, RIKEN Plant Science Center, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa 230-0045, Japan.
Eisuke
E
Chikayama
Yasuyo
Y
Sekiyama
Mami
M
Okamoto
Yumiko
Y
Nakanishi
Yuuri
Y
Tsuboi
Kenji
K
Akiyama
Kazuki
K
Saito
Kazuo
K
Shinozaki
Jun
J
Kikuchi
D055432:Metabolomics; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*