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Updated: Dec 30, 2025

Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry UPLC-MS
Published on: March 14, 2013
Overview of Tandem Mass Spectral and Metabolite Databases for Metabolite Identification in Metabolomics
Zhangtao Yi1, Zheng-Jiang Zhu2
1Interdisciplinary Research Center on Biology and Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, People's Republic of China.
Abstract:
Liquid chromatography-mass spectrometry (LC-MS) is one of the most popular technologies in metabolomics. The large-scale and unambiguous identification of metabolite structures remains a challenging task in LC-MS based metabolomics. Tandem mass spectral databases provide experimental and in silico MS/MS spectra to facilitate the identification of both known and unknown metabolites, which has become a gold standard method in metabolomics. In addition, metabolite knowledge databases offer valuable biological and pathway information of metabolites. In this chapter, we have briefly reviewed the most common and important tandem mass spectral and metabolite databases, and illustrated how they could be used for metabolite identification.
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