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学科主题: 物理化学
题名: Strategies for structure elucidation of small molecules using gas chromatography-mass spectrometric data
作者: Zhang, Liangxiao1, 2;  Tang, Chunlan1;  Cao, Dongsheng3;  Zeng, Yingxu4;  Tan, Binbin5;  Zeng, Maomao6;  Fan, Wei3;  Xiao, Hongbin1;  Liang, Yizeng3
通讯作者: 张良晓 ;  肖红斌
关键词: Gas chromatography coupled to mass spectrometry (GC-MS) ;  Data mining ;  Identification accuracy ;  Information extraction ;  Mass spectral characteristics ;  Mass spectral transfer ;  Multivariate analysis ;  Retention index (RI) ;  Small molecule ;  Structure elucidation
刊名: TRAC-TRENDS IN ANALYTICAL CHEMISTRY
发表日期: 2013-06-01
DOI: 10.1016/j.trac.2013.02.009
卷: 47, 页:37-46
收录类别: SCI
合作性质: 
文章类型: Article
部门归属: 18
项目归属: 1804
产权排名: 待补充
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Analytical
资助者: 1,1
研究领域[WOS]: Chemistry
英文摘要: In this review, we summarize seven strategies for structure elucidation of small molecules based on several aspects: discovery of spectral characteristics; construction of a special database; and elimination of retention-index variation and mass spectral differences.
关键词[WOS]: RETENTION INDEXES ;  COMPOUND IDENTIFICATION ;  SPECTRAL CLASSIFIERS ;  ORGANIC-COMPOUNDS ;  PREDICTION ;  ESTERS ;  ACIDS
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000320208000013
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/119465
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, Key Lab Separat Sci Analyt Chem, Dalian 116023, Peoples R China
2.Chinese Acad Agr Sci, Oil Crops Res Inst, Wuhan 430062, Peoples R China
3.Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China
4.Univ Bergen, Dept Chem, N-5020 Bergen, Norway
5.Shanghai Jiao Tong Univ, Shanghai Ctr Syst Biomed, Minist Educ, Key Lab Syst Biomed, Shanghai 200240, Peoples R China
6.Jiangnan Univ, State Key Lab Food Sci & Technol, Wuxi 214122, Peoples R China

Recommended Citation:
Zhang, Liangxiao,Tang, Chunlan,Cao, Dongsheng,et al. Strategies for structure elucidation of small molecules using gas chromatography-mass spectrometric data[J]. TRAC-TRENDS IN ANALYTICAL CHEMISTRY,2013,47:37-46.
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