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Analytica Chimica Acta
Article . 2018 . Peer-reviewed
License: Elsevier TDM
Data sources: Crossref
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Characterization and annotation of oxidized glycerophosphocholines for non-targeted metabolomics with LC-QTOF-MS data

Authors: Alberto Gil de la Fuente; Federico Traldi; Jitka Siroka; Adam Kretowski; Michal Ciborowski; Abraham Otero; Coral Barbas; +1 Authors

Characterization and annotation of oxidized glycerophosphocholines for non-targeted metabolomics with LC-QTOF-MS data

Abstract

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.

Countries
Czech Republic, Poland
Keywords

Identification, Databases, Factual, Annotation, lc-esi-qtof, type 2 - metabolism, Mass Spectrometry, Phosphatidylcholines - chemistry, Databases, Diabetes mellitus, phospholipid oxidation, oxPAPC, Humans, Metabolomics, Non-targeted metabolomics, liquid, Chromatography, hdl, Mass spectrometry, Phosphatidylcholines - metabolism, Molecular Structure, mass-spectrometry, Oxidized glycerophosphocholines, Oxidation-reduction, products, type 2 - blood, type 2 - diagnosis, Diabetes Mellitus, Type 2, inflammation, factual, Phosphatidylcholines, identification, cells, Phosphatidylcholines - blood, Molecular structure, Oxidation-Reduction, Chromatography, Liquid

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    Top 10%
    influence
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    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
18
Top 10%
Average
Top 10%
Green