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Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics
The annotation of small molecules remains a major challenge in untargeted mass spectrometry-based metabolomics. We here critically discuss structured elucidation approaches and software that are designed to help during the annotation of unknown compounds. Only by elucidating unknown metabolites firs...
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| Udgivet i: | Metabolites |
|---|---|
| Main Authors: | , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
MDPI
2018
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6027441/ https://ncbi.nlm.nih.gov/pubmed/29748461 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/metabo8020031 |
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