Hydrogen Rearrangement Rules: Computational MS/MS Fragmentation and Structure Elucidation Using MS-FINDER Software

Compound identification from accurate mass MS/MS spectra is a bottleneck for untargeted metabolomics. In this study, we propose nine rules of hydrogen rearrangement (HR) during bond cleavages in low-energy collision-induced dissociation (CID). These rules are based on the classic even-electron rule...

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Bibliografiske detaljer
Udgivet i:Anal Chem
Main Authors: Tsugawa, Hiroshi, Kind, Tobias, Nakabayashi, Ryo, Yukihira, Daichi, Tanaka, Wataru, Cajka, Tomas, Saito, Kazuki, Fiehn, Oliver, Arita, Masanori
Format: Artigo
Sprog:Inglês
Udgivet: 2016
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Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7063832/
https://ncbi.nlm.nih.gov/pubmed/27419259
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.analchem.6b00770
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