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CFM-ID 3.0: Significantly Improved ESI-MS/MS Prediction and Compound Identification.

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第一作者： Yannick,Djoumbou-Feunang

第一单位： Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, Canada. djoumbou@ualberta.ca.

作者： Yannick,Djoumbou-Feunang ^[1] ; Allison,Pon ^[2] ; Naama,Karu ^[3] ; Jiamin,Zheng ^[4] ; Carin,Li ^[5] ; David,Arndt ^[6] ; Maheswor,Gautam ^[7] ; Felicity,Allen ^[8] ; David S,Wishart ^[9]

作者单位： Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, Canada. djoumbou@ualberta.ca. ^[1] OMx Personal Health Analytics, Edmonton, AB T5J 1B9, Canada. allisonpon@gmail.com. ^[2] Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, Canada. n.karu@lacdr.leidenuniv.nl. ^[3] Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, Canada. jiamin3@ualberta.ca. ^[4] Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, Canada. cbli@ualberta.ca. ^[5] Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, Canada. darndt@ualberta.ca. ^[6] Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, Canada. maheswor@ualberta.ca. ^[7] Wellcome Sanger Institute, Wellcome Trust Genome Campus, Hinxton CB10 1SA, UK. felicity.allen@sanger.ac.uk. ^[8] Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, Canada. david.wishart@ualberta.ca.;Department of Computing Science, University of Alberta, Edmonton, AB T6G 2E8, Canada. david.wishart@ualberta.ca. ^[9]

关键词 MS spectral prediction combinatorial fragmentation liquid chromatography mass spectrometry metabolite identification rule-based fragmentation structure-based chemical classification

DOI 10.3390/metabo9040072

PMID 31013937

发布时间 2020-10-01

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准确一般字义偏差语意偏离译文作用小提交