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Characterization and annotation of oxidized glycerophosphocholines for non-targeted metabolomics with LC-QTOF-MS data
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SYSNO ASEP 0495424 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Characterization and annotation of oxidized glycerophosphocholines for non-targeted metabolomics with LC-QTOF-MS data Author(s) de la Fuente, A.G. (ES)
Traldi, F. (ES)
Široká, Jitka (UEB-Q) ORCID
Kretowski, A. (PL)
Ciborowski, M. (PL)
Otero, A. (CZ)
Barbas, C. (ES)
Godzien, J. (ES)Number of authors 8 Source Title Analytica Chimica Acta. - : Elsevier - ISSN 0003-2670
Roč. 1037, DEC 11 (2018), s. 358-368Number of pages 11 s. Language eng - English Country NL - Netherlands Keywords mass-spectrometry ; phospholipid oxidation ; identification ; inflammation ; products ; cells ; hdl ; Non-targeted metabolomics ; Identification ; Annotation ; Oxidized glycerophosphocholines ; oxPAPC ; lc-esi-qtof Subject RIV EB - Genetics ; Molecular Biology OECD category Cell biology R&D Projects LO1204 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Institutional support UEB-Q - RVO:61389030 UT WOS 000446225000036 EID SCOPUS 85052337967 DOI 10.1016/j.aca.2018.08.005 Annotation The biological role of oxidized glycerophosphocholines (oxPCs) is a current topic of research importantly contributing to the understanding of health and disease. Global non-targeted metabolomics offers an interesting approach to expand current knowledge and link oxPCs to new biological functions. Although this strategy is successful, it also has some limitations which are clearly noticeable during the identification process. For this reason, clear rules related to the identification of each group of metabolites are needed. This work attempts to provide the reader with a guideline for the recognition and annotation of oxidation among phosphocholines (PCs). Using several chromatographic characteristics and spectral information from tandem mass spectrometry, rapid and reliable annotation of long and short chain oxPCs can be performed. Some of this knowledge has been implemented in the publicly available annotation tool 'CEU Mass Mediator' (CMM) for semi-automated assignment of oxidation. Additionally, this tool was supplemented with accurate monoisotopic masses of oxPCs, expanding current information in other databases. Moreover, the characterization of oxidization products of PC(16:0/20:4) known as PAPC has been performed, providing a list of accurate mass product ions and neutral losses. Workplace Institute of Experimental Botany Contact David Klier, knihovna@ueb.cas.cz, Tel.: 220 390 469 Year of Publishing 2019
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