Universitätsklinikum Regensburg Guidelines for Lipidomics Analysis and Reporting – the Lipidomics Standards Initiative (LSI) 7 th June 2018 Gerhard Liebisch 1 , John A. Bowden 2 , William J. Griffiths 3 , Robert Ahrends 4 , Todd W. Mitchell 5 , Makoto Arita 6 , Christer S. Ejsing 7 , Michal Holčapek 8 , Markus Wenk 9 and Kim Ekroos 10 1 Institute of Clinical Chemistry and Laboratory Medicine, University of Regensburg, Germany. 2 Chemical Sciences Division, Hollings Marine Laboratory, National Institute of Standards and Technology, USA 3 Swansea University Medical School, ILS1 Building, Singleton Park, Swansea, UK. 4 Leibniz-Institut für Analytische Wissenschaften-ISAS-e.V., Dortmund, Germany 5 School of Medicine, Illawarra Health and Medical Research Institute, University of Wollongong, Wollongong, NSW 2522, Australia 6 Laboratory for Metabolomics, RIKEN Center for Integrative Medical Sciences (IMS), Tsurumi, Yokohama, Kanagawa 230-0045, Japan 7 Department of Biochemistry and Molecular Biology, VILLUM Center for Bioanalytical Sciences, University of Southern Denmark, Odense, Denmark. 8 Department of Analytical Chemistry, Faculty of Chemical Technology, University of Pardubice, Pardubice, Czech Republic. 9 Singapore Lipidomics Incubator (SLING), Department of Biochemistry, YLL School of Medicine, National University of Singapore, Singapore, Singapore. 10 Lipidomics Consulting Ltd., FI-02230 Esbo, Finland.
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Universitätsklinikum Regensburg
Guidelines for Lipidomics Analysis and Reporting
– the Lipidomics Standards Initiative (LSI)
7th June 2018
Gerhard Liebisch1, John A. Bowden2, William J. Griffiths3, Robert Ahrends4, Todd W. Mitchell5,
Makoto Arita6, Christer S. Ejsing7, Michal Holčapek8, Markus Wenk9 and Kim Ekroos10
1 Institute of Clinical Chemistry and Laboratory Medicine, University of Regensburg, Germany. 2Chemical Sciences Division, Hollings Marine Laboratory, National Institute of Standards and Technology, USA
3 Swansea University Medical School, ILS1 Building, Singleton Park, Swansea, UK. 4 Leibniz-Institut für Analytische Wissenschaften-ISAS-e.V., Dortmund, Germany
5 School of Medicine, Illawarra Health and Medical Research Institute, University of Wollongong, Wollongong, NSW 2522, Australia 6 Laboratory for Metabolomics, RIKEN Center for Integrative Medical Sciences (IMS), Tsurumi, Yokohama, Kanagawa 230-0045, Japan
7 Department of Biochemistry and Molecular Biology, VILLUM Center for Bioanalytical Sciences, University of Southern Denmark, Odense, Denmark. 8 Department of Analytical Chemistry, Faculty of Chemical Technology, University of Pardubice, Pardubice, Czech Republic.
9 Singapore Lipidomics Incubator (SLING), Department of Biochemistry, YLL School of Medicine, National University of Singapore, Singapore, Singapore. 10 Lipidomics Consulting Ltd., FI-02230 Esbo, Finland.
MISIDENTIFICATION
Why is there a need for standardization?
Metabolomics discovers novel “Lipid biomarker”
Samples
n = 600
Methanol
precipitation
UPLC (RP) -HighRes
MS pos/neg ion mode
IS
QC samples (n=28 per 100)
Signal correction
using QC samples
Annotation by
PUTMEDID-LCMS
Inverse association of PC O-20:0/O-20:0 and
LPC dm16:0 with T2D
Drogan et al. Clin
Chem. 2015
Mar;61(3):487-97
Information provided by Drogan et al. (1)
LIPID MAPS
database search1
Reported
m/z RT [s] Reported lipid species Adduct ion
Appropriate lipid
species annotation2 Expected m/z values3
Negative ion mode [M-H]- [M+HCOO]- [M+35Cl]-
no match 860.684 988 PC(O-20:0/O-20:0) ? PC dO-40:0 862.727 852.698