Strategies for structure elucidation of small molecules using gas chromatography-mass spectrometric data
文献类型：期刊论文
| 作者 | Zhang, Liangxiao1,2; Tang, Chunlan1; Cao, Dongsheng3; Zeng, Yingxu4; Tan, Binbin5; Zeng, Maomao6; Fan, Wei3; Xiao, Hongbin1; Liang, Yizeng3 |
| 刊名 | trac-trends in analytical chemistry
 |
| 出版日期 | 2013-06-01 |
| 卷号 | 47页码:37-46 |
| 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 |
| 产权排序 | 待补充 |
| 通讯作者 | 张良晓 ; 肖红斌 |
| 合作状况 | 英 |
| 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. |
| WOS标题词 | science & technology ; physical sciences |
| 学科主题 | 物理化学 |
| 类目[WOS] | chemistry, analytical |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | retention indexes ; compound identification ; spectral classifiers ; organic-compounds ; prediction ; esters ; acids |
| 收录类别 | SCI |
| 资助信息 | 1，1 |
| 原文出处 | 46 |
| 语种 | 英语 |
| WOS记录号 | WOS:000320208000013 |
| 公开日期 | 2014-09-11 |
| 源URL | [http://159.226.238.44/handle/321008/119465]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 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 |
| 推荐引用方式 GB/T 7714 | 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. |
| APA | Zhang, Liangxiao.,Tang, Chunlan.,Cao, Dongsheng.,Zeng, Yingxu.,Tan, Binbin.,...&Liang, Yizeng.(2013).Strategies for structure elucidation of small molecules using gas chromatography-mass spectrometric data.trac-trends in analytical chemistry,47,37-46. |
| MLA | Zhang, Liangxiao,et al."Strategies for structure elucidation of small molecules using gas chromatography-mass spectrometric data".trac-trends in analytical chemistry 47(2013):37-46. |
入库方式： OAI收割
来源：大连化学物理研究所
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