A spectroscopic test suggests that fragment ion structure annotations in MS/MS libraries are frequently incorrect
Abstract Modern untargeted mass spectrometry (MS) analyses quickly detect and resolve thousands of molecular compounds. Although features are readily annotated with a molecular formula in high-resolution small-molecule MS applications, the large majority of them remains unidentified in terms of thei...
Main Authors: | , , , , , , , , , |
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Format: | Article |
Language: | English |
Published: |
Nature Portfolio
2024-02-01
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Series: | Communications Chemistry |
Online Access: | https://doi.org/10.1038/s42004-024-01112-7 |