| Establishment of reliable mass spectra and retention indices library: Identification of fatty acids in human plasma without authentic standards. | |
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MedLine Citation:
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PMID: 22265504 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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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. |
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Authors:
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Liangxiao Zhang; Binbin Tan; Maomao Zeng; Hongmei Lu; Yizeng Liang |
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Publication Detail:
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Type: Journal Article Date: 2011-10-31 |
Journal Detail:
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Title: Talanta Volume: 88 ISSN: 1873-3573 ISO Abbreviation: Talanta Publication Date: 2012 Jan |
Date Detail:
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Created Date: 2012-01-23 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 2984816R Medline TA: Talanta Country: England |
Other Details:
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Languages: eng Pagination: 311-7 Citation Subset: IM |
Copyright Information:
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Copyright © 2011 Elsevier B.V. All rights reserved. |
Affiliation:
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College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China; Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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