DICP OpenIR
Subject Area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
KeywordReliable Mass Spectra And Retention Indices Library Identification Fatty Acids Human Plasma Gc-ms
Source PublicationTALANTA
2012-01-15
DOI10.1016/j.talanta.2011.10.046
Volume88Pages:311-317
Indexed BySCI
SubtypeArticle
Department18
Funding Project1804
Contribution Rank2,1
WOS SubjectChemistry, Analytical
WOS Research AreaChemistry
WOS KeywordEVOLVING LATENT PROJECTIONS ; 2-WAY MULTICOMPONENT DATA ; GAS-CHROMATOGRAPHY ; ADIPOSE-TISSUE ; METHYL-ESTERS ; SPECTROMETRY ; DERIVATIVES ; RESOLUTION ; OBESITY
AbstractGas 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.
Language英语
WOS IDWOS:000301159400041
Citation statistics
Cited Times:12[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/118452
Collection中国科学院大连化学物理研究所
Corresponding AuthorYizengLiang
Affiliation1.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
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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