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