Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics

Untargeted metabolomics detects large numbers of metabolites but their annotation remains challenging. Here, the authors develop a metabolic reaction network-based recursive algorithm that expands metabolite annotation by taking advantage of the mass spectral similarity of reaction-paired neighbor m...

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Autores principales:	Xiaotao Shen, Ruohong Wang, Xin Xiong, Yandong Yin, Yuping Cai, Zaijun Ma, Nan Liu, Zheng-Jiang Zhu
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2019
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/483ceccdfc294c00b995f17e16a13252
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id	oai:doaj.org-article:483ceccdfc294c00b995f17e16a13252
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spelling	oai:doaj.org-article:483ceccdfc294c00b995f17e16a132522021-12-02T14:39:37ZMetabolic reaction network-based recursive metabolite annotation for untargeted metabolomics10.1038/s41467-019-09550-x2041-1723https://doaj.org/article/483ceccdfc294c00b995f17e16a132522019-04-01T00:00:00Zhttps://doi.org/10.1038/s41467-019-09550-xhttps://doaj.org/toc/2041-1723Untargeted metabolomics detects large numbers of metabolites but their annotation remains challenging. Here, the authors develop a metabolic reaction network-based recursive algorithm that expands metabolite annotation by taking advantage of the mass spectral similarity of reaction-paired neighbor metabolites.Xiaotao ShenRuohong WangXin XiongYandong YinYuping CaiZaijun MaNan LiuZheng-Jiang ZhuNature PortfolioarticleScienceQENNature Communications, Vol 10, Iss 1, Pp 1-14 (2019)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Xiaotao Shen Ruohong Wang Xin Xiong Yandong Yin Yuping Cai Zaijun Ma Nan Liu Zheng-Jiang Zhu Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics
description	Untargeted metabolomics detects large numbers of metabolites but their annotation remains challenging. Here, the authors develop a metabolic reaction network-based recursive algorithm that expands metabolite annotation by taking advantage of the mass spectral similarity of reaction-paired neighbor metabolites.
format	article
author	Xiaotao Shen Ruohong Wang Xin Xiong Yandong Yin Yuping Cai Zaijun Ma Nan Liu Zheng-Jiang Zhu
author_facet	Xiaotao Shen Ruohong Wang Xin Xiong Yandong Yin Yuping Cai Zaijun Ma Nan Liu Zheng-Jiang Zhu
author_sort	Xiaotao Shen
title	Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics
title_short	Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics
title_full	Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics
title_fullStr	Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics
title_full_unstemmed	Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics
title_sort	metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics
publisher	Nature Portfolio
publishDate	2019
url	https://doaj.org/article/483ceccdfc294c00b995f17e16a13252
work_keys_str_mv	AT xiaotaoshen metabolicreactionnetworkbasedrecursivemetaboliteannotationforuntargetedmetabolomics AT ruohongwang metabolicreactionnetworkbasedrecursivemetaboliteannotationforuntargetedmetabolomics AT xinxiong metabolicreactionnetworkbasedrecursivemetaboliteannotationforuntargetedmetabolomics AT yandongyin metabolicreactionnetworkbasedrecursivemetaboliteannotationforuntargetedmetabolomics AT yupingcai metabolicreactionnetworkbasedrecursivemetaboliteannotationforuntargetedmetabolomics AT zaijunma metabolicreactionnetworkbasedrecursivemetaboliteannotationforuntargetedmetabolomics AT nanliu metabolicreactionnetworkbasedrecursivemetaboliteannotationforuntargetedmetabolomics AT zhengjiangzhu metabolicreactionnetworkbasedrecursivemetaboliteannotationforuntargetedmetabolomics
_version_	1718390529123680256

Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics

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