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Localization of Double Bonds in Wax Esters by High-Performance Liquid Chromatography/Atmospheric Pressure Chemical Ionization Mass Spectrometry Utilizing Fragmentation of Acetonitrile-Related Adducts
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SYSNO ASEP 0359271 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Localization of Double Bonds in Wax Esters by High-Performance Liquid Chromatography/Atmospheric Pressure Chemical Ionization Mass Spectrometry Utilizing Fragmentation of Acetonitrile-Related Adducts Author(s) Vrkoslav, Vladimír (UOCHB-X) RID, ORCID
Háková, Martina (UOCHB-X)
Pecková, K. (CZ)
Urbanová, Klára (UOCHB-X) RID
Cvačka, Josef (UOCHB-X) RID, ORCIDNumber of authors 5 Source Title Analytical Chemistry. - : American Chemical Society - ISSN 0003-2700
Roč. 83, č. 8 (2011), s. 2978-2986Number of pages 9 s. Language eng - English Country US - United States Keywords Ion-molecule reactions ; lipids Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GA203/09/0139 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000289223700021 DOI 10.1021/ac1030682 Annotation Unsaturated wax esters (WEs) provided molecular adducts with C3H5N ([M+55]+.) in APCI sources in the presence of acetonitrile. CID of [M+55]+. gave fragments allowing localization of double bond(s) in hydrocarbon chains of WEs. These fragments were formed by cleavage of C-C bonds next to the double bond from its both sides. In methylene-interrupted polyunsaturated WEs, the diagnostic fragments related to each double bond were detected; the most abundant were those corresponding to cleavage of C-C bond next to the first and the last double bond. A simple nomenclature based on .alpha. and .omega. ions has been introduced. A data-dependent HPLC/APCI-MS2 method for comprehensive characterizing WEs in their complex mixtures has been developed and applied to natural mixtures of WEs isolated form jojoba oil and beeswax. More than 50 WE molecular species were completely identified, including information on acid and alcohol chain length and position of double bonds. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Year of Publishing 2012
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