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学科主题物理化学
Establishment of reliable mass spectra and retention indices library: Identification of fatty acids in human plasma without authentic standards
Zhang, Liangxiao1,2; Tan, Binbin3; Zeng, Maomao4; Lu, Hongmei1; Liang, Yizeng1; YizengLiang
关键词Reliable Mass Spectra And Retention Indices Library Identification Fatty Acids Human Plasma Gc-ms
刊名TALANTA
2012-01-15
DOI10.1016/j.talanta.2011.10.046
88页:311-317
收录类别SCI
文章类型Article
部门归属18
项目归属1804
产权排名2,1
类目[WOS]Chemistry, Analytical
研究领域[WOS]Chemistry
关键词[WOS]EVOLVING LATENT PROJECTIONS ; 2-WAY MULTICOMPONENT DATA ; GAS-CHROMATOGRAPHY ; ADIPOSE-TISSUE ; METHYL-ESTERS ; SPECTROMETRY ; DERIVATIVES ; RESOLUTION ; OBESITY
英文摘要Gas chromatography mass spectrometry (GC-MS) is routinely employed to analyze small molecules in various samples. The more challenge of GC-MS data processing is to identify the unknown compounds in samples. Mass spectra and retention indices library searching are commonly used method. However, the current libraries are often built through collecting data from different groups. To unknown compounds with similar mass spectra and retention indices (e.g. geometric (cis/trans) isomers), the inaccurate results sometime are supplied. In this case, the costly standard compounds have to be used in every analysis. In this report, taking identification of fatty acids as an example, we proposed a strategy of establishment of special database constructed by equivalent chain length (ECL) values in uniform conditions and mass spectra of fatty acid methyl esters (FAMES). The mass spectral characteristics were firstly used to identify all expected straight saturated fatty acids, and subsequently calculate the ECL for fatty acids in the sample. Finally, the ECL values of fatty acids in the sample were compared with those of fatty acids in the customized database to identify their structures. The results showed that the method developed in this report could effectively identify similar unknown compounds (FAMEs in the human plasma) after validated by the authentic standards. (C) 2011 Elsevier B.V. All rights reserved.
语种英语
WOS记录号WOS:000301159400041
引用统计
被引频次:11[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/118452
专题中国科学院大连化学物理研究所
通讯作者YizengLiang
作者单位1.Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, Key Lab Separat Sci Analyt Chem, Dalian 116023, Peoples R China
3.Shanghai Jiao Tong Univ, Shanghai Ctr Syst Biomed, Key Lab Syst Biomed, Minist Educ, Shanghai 200240, Peoples R China
4.Jiangnan Univ, State Key Lab Food Sci & Technol, Wuxi 214122, Peoples R China
推荐引用方式
GB/T 7714
Zhang, Liangxiao,Tan, Binbin,Zeng, Maomao,et al. Establishment of reliable mass spectra and retention indices library: Identification of fatty acids in human plasma without authentic standards[J]. TALANTA,2012,88:311-317.
APA Zhang, Liangxiao,Tan, Binbin,Zeng, Maomao,Lu, Hongmei,Liang, Yizeng,&YizengLiang.(2012).Establishment of reliable mass spectra and retention indices library: Identification of fatty acids in human plasma without authentic standards.TALANTA,88,311-317.
MLA Zhang, Liangxiao,et al."Establishment of reliable mass spectra and retention indices library: Identification of fatty acids in human plasma without authentic standards".TALANTA 88(2012):311-317.
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