Retrieving and utilizing hypothetical neutral losses from tandem mass spectra for spectral similarity analysis and unknown metabolite annotation

Spectral similarity comparison through tandem mass spectrometry (MS²) is a powerful approach to annotate known and unknown metabolic features in mass spectrometry (MS)-based untargeted metabolomics. In this work, we proposed the concept of hypothetical neutral loss (HNL), which is the mass differenc...

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Bibliographic Details
Main Authors: Xing, Shipei, Hu, Yan, Yin, Zixuan, Liu, Min, Tang, Xiaoyu, Fang, Mingliang, Huan, Tao
Other Authors: School of Civil and Environmental Engineering
Format: Article
Language:English
Published: 2021
Subjects:
Online Access:https://hdl.handle.net/10356/152068
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Institution: Nanyang Technological University
Language: English
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