Metabolite discovery through global annotation of untargeted metabolomics data

Abstract A primary goal of metabolomics is to identify all biologically important metabolites. One powerful approach is liquid chromatography-high resolution mass spectrometry (LC-MS), yet most LC-MS peaks remain unidentified. Here, we present a global network optimization approach, NetID, to annota...

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Bibliographic Details

Published in:	bioRxiv
Main Authors:	Chen, Li, Lu, Wenyun, Wang, Lin, Xing, Xi, Teng, Xin, Zeng, Xianfeng, Dmuscarella, Antonio, Shen, Yihui, Cowan, Alexis, Mcreynolds, Melanie R, Kennedy, Brandon, Lato, Ashley M, Campagna, Shawn R, Singh, Mona, Rabinowitz, Joshua
Format:	Paper
Language:	English
Published:	Cold Spring Harbor Cold Spring Harbor Laboratory Press 06.01.2021 Cold Spring Harbor Laboratory
Edition:	1.2
Subjects:	Bioinformatics Liquid chromatography Mass spectroscopy Metabolites Metabolomics Optimization Taurine Thiamine
ISSN:	2692-8205, 2692-8205
Online Access:	Get full text
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