Ion mobility collision cross-section atlas for known and unknown metabolite annotation in untargeted metabolomics

Collision cross section (CCS) information can aid the annotation of unknown metabolites. Here, the authors optimize the machine-learning based prediction of metabolite CCS values and curate a 1.6 million compound CCS atlas, improving annotation accuracy and coverage for known and unknown metabolites...

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Autores principales: Zhiwei Zhou, Mingdu Luo, Xi Chen, Yandong Yin, Xin Xiong, Ruohong Wang, Zheng-Jiang Zhu
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2020
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Acceso en línea:https://doaj.org/article/4cc6a094179b4b359ed49dbbe0bc6a19
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