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学科主题: 物理化学
题名: Establishment of reliable mass spectra and retention indices library: Identification of fatty acids in human plasma without authentic standards
作者: Zhang, Liangxiao1, 2;  Tan, Binbin3;  Zeng, Maomao4;  Lu, Hongmei1;  Liang, Yizeng1
通讯作者: YizengLiang
关键词: Reliable mass spectra and retention indices ;  library ;  Identification ;  Fatty acids ;  Human plasma ;  GC-MS
刊名: TALANTA
发表日期: 2012-01-15
DOI: 10.1016/j.talanta.2011.10.046
卷: 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
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.
关键词[WOS]: EVOLVING LATENT PROJECTIONS ;  2-WAY MULTICOMPONENT DATA ;  GAS-CHROMATOGRAPHY ;  ADIPOSE-TISSUE ;  METHYL-ESTERS ;  SPECTROMETRY ;  DERIVATIVES ;  RESOLUTION ;  OBESITY
语种: 英语
WOS记录号: WOS:000301159400041
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/118452
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.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

Recommended Citation:
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.
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