2011
DOI: 10.1186/gb-2011-12-1-r8
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A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language

Abstract: Shotgun lipidome profiling relies on direct mass spectrometric analysis of total lipid extracts from cells, tissues or organisms and is a powerful tool to elucidate the molecular composition of lipidomes. We present a novel informatics concept of the molecular fragmentation query language implemented within the LipidXplorer open source software kit that supports accurate quantification of individual species of any ionizable lipid class in shotgun spectra acquired on any mass spectrometry platform.

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Cited by 372 publications
(333 citation statements)
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“…Data Processing-Lipids were identified by LipidXplorer software by matching m/z of their monoisotopic peaks to the corresponding elemental composition constraints (36).…”
Section: Lipidomics Analysismentioning
confidence: 99%
“…Data Processing-Lipids were identified by LipidXplorer software by matching m/z of their monoisotopic peaks to the corresponding elemental composition constraints (36).…”
Section: Lipidomics Analysismentioning
confidence: 99%
“…Molecular lipid species were identified and quantified using LipidXplorer software (17) developed by MPI CBG (Dresden, Germany). Species were quantified by comparing the intensities of their peaks to peaks of spiked internal standards; lipid quantities determined in individual samples were normalized by the total protein content determined by Bradford assay.…”
Section: Liver Lipidomicsmentioning
confidence: 99%
“…The low abundant precursors are often not fragmented in all acquisitions and often occur with non-equal efficiency. The peak occupancy attribute is the frequency with which a particular peak is encountered in individual acquisitions within the full series of acquisitions [34] . Normalizing for peak occupancy is often used for enhancing coverage and reproducibility of peak detection.…”
Section: Total Lipid Analyses and De Novo Lipid Identification And Qumentioning
confidence: 99%