出版社：American Society for Biochemistry and Molecular Biology
摘要：Lipid mediators (LMs) derived from PUFAs play important rolesin health and disease. Databases and search algorithms are crucial,but currently unavailable, for accurate and prompt analysisof LMs via liquid chromatography-ultraviolet-tandem mass spectrometry(LC-UV-MS/MS). A novel algorithm and databases, cognoscitive-contrast-anglealgorithm and databases (COCAD), were developed for the identificationof LMs based on the integration of standard MS/MS spectra withchromatograms and UV spectra. Segment naming and empirical fragmentationrules were introduced to determine MS/MS ion identities, alongwith ion intensities used by COCAD in matching the unknown tothose of authentic standards. The structures of potential LMswithout synthetic and/or authentic products as standards wereidentified by developing theoretical databases and algorithmsbased on virtual LC-UV-MS/MS spectra and chromatograms. Theperformance of these databases and algorithms was tested byidentifying LMs in murine tissues.
These results indicate that COCAD has many advantages for profilingand identification of LMs compared with the conventional dot-productalgorithm.Abbreviations: COCAD, cognoscitive-contrast-angle algorithm and databases; CRT, chromatographic retention time; ESI, electrospray ionization; HETE, hydroxy-eicosatetraenoic acid; LC-UV-MS/MS, liquid chromatography-ultraviolet-tandem mass spectrometry; LM, lipid mediator; LTB4, 5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid; LXA4, 5S,6R,15S-trihydroxy-7E,9E,11Z,13E-trans-11-cis-eicosatetraenoic acid; LXB4, 5S,14R,15S-trihydroxy-6E,8Z,10E,12E-eicosatetraenoic acid; PGE2, 11,15S- dihydroxy-9-oxo-prosta-5Z,13E-dien-1-oic acid; PGF2, 9,11,15S-trihydroxy-prosta-5Z,13E-dien-1-oic acid
Supplementary key words cognoscitive-contrast-angle algorithm and database • theoretical database and algorithm • inflammation • resolution • eicosanoids • resolvins • neuroprotectins • docosatrienes • polyunsaturated fatty acid
,15S- dihydroxy-9-oxo-prosta-5Z,13E-dien-1-oic acid; PGF2
