MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis

被引：2273

作者：

Tsugawa, Hiroshi ^{[1
,2
]}

Cajka, Tomas ^{[3
]}

Kind, Tobias ^{[3
]}

Ma, Yan ^{[3
]}

Higgins, Brendan ^{[4
]}

Ikeda, Kazutaka ^{[5
,6
]}

Kanazawa, Mitsuhiro ^{[7
]}

VanderGheynst, Jean ^{[4
]}

Fiehn, Oliver ^{[3
,8
]}

Arita, Masanori ^{[1
,9
]}

机构：

[1] RIKEN Ctr Sustainable Resource Sci, Yokohama, Kanagawa, Japan

[2] Osaka Univ, Grad Sch Engn, Dept Biotechnol, Suita, Osaka, Japan

[3] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA

[4] Univ Calif Davis, Dept Biol & Agr Engn, Davis, CA 95616 USA

[5] RIKEN Ctr Integrat Med Sci, Yokohama, Kanagawa, Japan

[6] Japan Sci & Technol Agcy, Kawaguchi, Saitama, Japan

[7] Reifycs Inc, Minato Ku, Tokyo, Japan

[8] King Abdulaziz Univ, Fac Sci, Dept Biochem, Jeddah 21413, Saudi Arabia

[9] Natl Inst Genet, Mishima, Shizuoka 411, Japan

来源：

NATURE METHODS | 2015年 / 12卷 / 06期

基金：

美国国家科学基金会; 美国国家卫生研究院;

关键词：

TOOL; IDENTIFICATION; EXTRACTION; MRMPROBS;

D O I：

10.1038/nmeth.3393

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

Data-independent acquisition (DIA) in liquid chromatography (LC) coupled to tandem mass spectrometry (MS/MS) provides comprehensive untargeted acquisition of molecular data. We provide an open-source software pipeline, which we call MS-DIAL, for DIA-based identification and quantification of small molecules by mass spectral deconvolution. For a reversed-phase LC-MS/MS analysis of nine algal strains, MS-DIAL using an enriched LipidBlast library identified 1,023 lipid compounds, highlighting the chemotaxonomic relationships between the algal strains.

引用

页码：523 / +

页数：9

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