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...

Full description

Bibliographic Details
Main Authors:	Xiaotao Shen, Ruohong Wang, Xin Xiong, Yandong Yin, Yuping Cai, Zaijun Ma, Nan Liu, Zheng-Jiang Zhu
Format:	Article
Language:	English
Published:	Nature Publishing Group 2019-04-01
Series:	Nature Communications
Online Access:	https://doi.org/10.1038/s41467-019-09550-x

id	doaj-483ceccdfc294c00b995f17e16a13252
record_format	Article
spelling	doaj-483ceccdfc294c00b995f17e16a132522021-05-11T11:47:49ZengNature Publishing GroupNature Communications2041-17232019-04-0110111410.1038/s41467-019-09550-xMetabolic reaction network-based recursive metabolite annotation for untargeted metabolomicsXiaotao Shen0Ruohong Wang1Xin Xiong2Yandong Yin3Yuping Cai4Zaijun Ma5Nan Liu6Zheng-Jiang Zhu7Interdisciplinary Research Center on Biology and Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of SciencesInterdisciplinary Research Center on Biology and Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of SciencesInterdisciplinary Research Center on Biology and Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of SciencesInterdisciplinary Research Center on Biology and Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of SciencesInterdisciplinary Research Center on Biology and Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of SciencesInterdisciplinary Research Center on Biology and Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of SciencesInterdisciplinary Research Center on Biology and Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of SciencesInterdisciplinary Research Center on Biology and Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of SciencesUntargeted 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.https://doi.org/10.1038/s41467-019-09550-x
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Xiaotao Shen Ruohong Wang Xin Xiong Yandong Yin Yuping Cai Zaijun Ma Nan Liu Zheng-Jiang Zhu
spellingShingle	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 Nature Communications
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 Publishing Group
series	Nature Communications
issn	2041-1723
publishDate	2019-04-01
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.
url	https://doi.org/10.1038/s41467-019-09550-x
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_	1721445944999804928

Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics

Similar Items