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EP38438
Poster Title: Quality Control Tools to increase the confidence in Lipid annotations
Submitted on 09 Mar 2022
Author(s): Ansgar Korf 3 , Nikolas Kessler 3 , Heiko Neuweger 3 , Sven W. Meyer 3 , Yorrick R.J. Jaspers 1 , Michel van Weeghel 1,2 , Frédéric M. Vaz 1,2
Affiliations: 1 Bruker Daltonics GmbH & Co. KG, Bremen, Germany 2 Laboratory Genetic Metabolic Diseases, Amsterdam UMC, the Netherlands 3 Core Facility Metabolomics, Amsterdam UMC, the Netherlands
Poster Views: 411
Submitted on 09 Mar 2022
Author(s): Ansgar Korf 3 , Nikolas Kessler 3 , Heiko Neuweger 3 , Sven W. Meyer 3 , Yorrick R.J. Jaspers 1 , Michel van Weeghel 1,2 , Frédéric M. Vaz 1,2
Affiliations: 1 Bruker Daltonics GmbH & Co. KG, Bremen, Germany 2 Laboratory Genetic Metabolic Diseases, Amsterdam UMC, the Netherlands 3 Core Facility Metabolomics, Amsterdam UMC, the Netherlands
Poster Views: 411
Abstract: The field of lipidomics is attracting an increasing interest in the research community, as the understanding of the role of lipids in the emergence and progression of diseases is essential.
The use of improved acquisition techniques can increase the coverage and quality of the data from mass analyzers and with this the total number of compounds that can be annotated. These increased numbers eventually need quality control. Therefore, any tool that can be used to efficiently remove false annotations will simplify the researchers work.
The collisional cross section (CCS) value is a physical property of an ion species in the gas phase. As such, CCS values can act as orthogonal qualifiers and improve the annotation quality. In MetaboScape 2022 different CCS enabled annotation workflows can be used to achieve high quality annotations. In addition, CCS values are automatically predicted for lipids assigned by the rule based approach. This feature uses regression models, based on acquired CCS values. The additional CCS value serves as a further qualifier for annotation. If CCS is plotted against m/z, homologous series of lipids show trend lines.
CCS values are independent of Rt and can be used to intertwine for instance different chromatographies or LC and MALDI data (in a so called SpatialOMx workflow).
Summary: The field of lipidomics is attracting an increasing interest in the research community, as the understanding of the role of lipids in the emergence and progression of diseases is essential. References: 1) Fiehn et al Tsugawa et al https://www.nature.com/articles/s41587 020-0531 2
2) Van Weeghel et al . Houtkooper et al., Dis Model Mech 2021 14 (4)
The use of improved acquisition techniques can increase the coverage and quality of the data from mass analyzers and with this the total number of compounds that can be annotated. These increased numbers eventually need quality control. Therefore, any tool that can be used to efficiently remove false annotations will simplify the researchers work.
The collisional cross section (CCS) value is a physical property of an ion species in the gas phase. As such, CCS values can act as orthogonal qualifiers and improve the annotation quality. In MetaboScape 2022 different CCS enabled annotation workflows can be used to achieve high quality annotations. In addition, CCS values are automatically predicted for lipids assigned by the rule based approach. This feature uses regression models, based on acquired CCS values. The additional CCS value serves as a further qualifier for annotation. If CCS is plotted against m/z, homologous series of lipids show trend lines.
CCS values are independent of Rt and can be used to intertwine for instance different chromatographies or LC and MALDI data (in a so called SpatialOMx workflow).
Summary: The field of lipidomics is attracting an increasing interest in the research community, as the understanding of the role of lipids in the emergence and progression of diseases is essential. References: 1) Fiehn et al Tsugawa et al https://www.nature.com/articles/s41587 020-0531 2
2) Van Weeghel et al . Houtkooper et al., Dis Model Mech 2021 14 (4)
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