Metabolite discovery through global annotation of untargeted metabolomics data

Liquid chromatography-high-resolution mass spectrometry (LC-MS)-based metabolomics aims to identify and quantify all metabolites, but most LC-MS peaks remain unidentified. Here we present a global network optimization approach, NetID, to annotate untargeted LC-MS metabolomics data. The approach aims...

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Bibliographic Details
Published in:	Nature methods Vol. 18; no. 11; pp. 1377 - 1385
Main Authors:	Chen, Li, Lu, Wenyun, Wang, Lin, Xing, Xi, Chen, Ziyang, Teng, Xin, Zeng, Xianfeng, Muscarella, Antonio D, Shen, Yihui, Cowan, Alexis, McReynolds, Melanie R, Kennedy, Brandon J, Lato, Ashley M, Campagna, Shawn R, Singh, Mona, Rabinowitz, Joshua D
Format:	Journal Article
Language:	English
Published:	United States Nature Publishing Group 01.11.2021
Subjects:	Algorithms Animals Annotations Chromatography, Liquid - methods Data Curation - methods Data Curation - standards Fragmentation Global optimization Isotopes Liquid chromatography Liver - metabolism Mass spectrometry Mass spectroscopy Metabolites Metabolome Metabolomics Metabolomics - methods Metabolomics - standards Mice Network management systems Optimization Saccharomyces cerevisiae - metabolism Scientific imaging Spectroscopy Tandem Mass Spectrometry - methods Taurine Thiamine Yeast
ISSN:	1548-7091, 1548-7105, 1548-7105
Online Access:	Get full text
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