Predicting collision-induced dissociation spectra: Semi-empirical calculations as a rapid and effective tool in software-aided mass spectral interpretation
Author:
Affiliation:
1. School of Science; University of Greenwich; Medway Campus Chatham ME4 4TB UK
2. Evenor Consulting Ltd; The New Barn, Mill Lane Eastry CT13 0JW UK
Publisher
Wiley
Subject
Organic Chemistry,Spectroscopy,Analytical Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/rcm.6870/fullpdf
Reference46 articles.
1. Understanding collision-induced dissociation of dofetilide: a case study in the application of density functional theory as an aid to mass spectral interpretation;Wright;Analyst,2013
2. Mass Frontier™ http://www.highchem.com/massfrontier/mass-frontier.html
3. ACD/MS Fragmenter ACD/Labs.com
4. FiD: a software for ab initio structural identification of product ions from tandem mass spectrometric data;Heinonen;Rapid Commun. Mass Spectrom.,2008
5. In silico fragmentation for computer assisted identification of metabolite mass spectra;Wolf;BMC Bioinformatics,2010
Cited by 17 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Electron-induced dissociation dynamics studied using covariance-map imaging;Faraday Discussions;2022
2. Quantum Chemistry Calculations for Metabolomics;Chemical Reviews;2021-05-12
3. A multi-technique analytical approach for impurity profiling during synthesis: The case of difluprednate;Journal of Pharmaceutical and Biomedical Analysis;2020-10
4. Mass spectrometrical and quantum-chemical study of pentafluorophenylhydrazones;Journal of Mass Spectrometry;2020-08-16
5. Solvent dependent ESI-collisionally induced dissociation of protonated nitenpyram;International Journal of Mass Spectrometry;2019-11
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3