title: Shorthand notation for lipid structures derived from mass spectrometry.
abstract: There is a need for a standardized, practical annotation for structures of lipid species derived from mass spectrometric approaches; i.e., for high-throughput data obtained from instruments operating in either high- or low-resolution modes. This proposal is based on common, officially accepted terms and builds upon the LIPID MAPS terminology. It aims to add defined levels of information below the LIPID MAPS nomenclature, as detailed chemical structures, including stereochemistry, are usually not automatically provided by mass spectrometric analysis. To this end, rules for lipid species annotation were developed that reflect the structural information derived from the analysis. For example, commonly used head group-specific analysis of glycerophospholipids (GP) by low-resolution instruments is neither capable of differentiating the fatty acids linked to the glycerol backbone nor able to define their bond type (ester, alkyl-, or alk-1-enyl-ether). This and other missing structural information is covered by the proposed shorthand notation presented here. Beyond GPs, we provide shorthand notation for fatty acids/acyls (FA), glycerolipids (GL), sphingolipids (SP), and sterols (ST). In summary, this defined shorthand nomenclature provides a standard methodology for reporting lipid species from mass spectrometric analysis and for constructing databases.
authors.affiliation: Institute of Clinical Chemistry and Laboratory Medicine, University of Regensburg, Regensburg, Germany;. Electronic address: gerhard.liebisch@klinik.uni-regensburg.de.
authors.forename: Gerhard
authors.initials: G
authors.lastname: Liebisch
authors.affiliation: EMBL-European Bioinformatics Institute, Hinxton, Cambridge, United Kingdom.
authors.forename: Juan Antonio
authors.initials: JA
authors.lastname: Vizcaíno
authors.affiliation: Core Facility Mass Spectrometry, Medical University of Graz, Graz, Austria.
authors.forename: Harald
authors.initials: H
authors.lastname: Köfeler
authors.affiliation: Core Facility Mass Spectrometry, Medical University of Graz, Graz, Austria.
authors.forename: Martin
authors.initials: M
authors.lastname: Trötzmüller
authors.affiliation: Institute of Mass Spectrometry, College of Medicine, Swansea University, Singleton Park, Swansea, United Kingdom; and.
authors.forename: William J
authors.initials: WJ
authors.lastname: Griffiths
authors.affiliation: Institute of Clinical Chemistry and Laboratory Medicine, University of Regensburg, Regensburg, Germany.
authors.forename: Gerd
authors.initials: G
authors.lastname: Schmitz
authors.affiliation: Institute of Molecular Biology and Biochemistry, and Medical University of Graz, Graz, Austria; Core Facility Mass Spectrometry, Medical University of Graz, Graz, Austria.
authors.forename: Friedrich
authors.initials: F
authors.lastname: Spener
authors.affiliation: Babraham Institute, Babraham Research Campus, Cambridge, United Kingdom.
authors.forename: Michael J O
authors.initials: MJO
authors.lastname: Wakelam
mesh_terms: D016208:Databases, Factual; D008055:Lipids / Q000737:chemistry* / Q000145:classification*; D013058:Mass Spectrometry; D015394:Molecular Structure
chemical_list: D008055:Lipids
keywords: abbreviation; fatty acids; glycerolipids; glycerophospholipids; lipidomics; nomenclature; sphingolipids; sterols
references.citation: PLoS One. 2013 May 07;8(5):e61951
references.pmid: 23667450
references.citation: Biochim Biophys Acta. 2011 Nov;1811(11):838-53
references.pmid: 21749933
references.citation: Anal Chem. 2007 Jun 1;79(11):4083-93
references.pmid: 17474710
references.citation: Proc Natl Acad Sci U S A. 1997 Mar 18;94(6):2339-44
references.pmid: 9122196
references.citation: Annu Rev Anal Chem (Palo Alto Calif). 2010;3:433-65
references.pmid: 20636050
references.citation: Prostaglandins Leukot Essent Fatty Acids. 2010 Feb-Mar;82(2-3):69-70
references.pmid: 20092991
references.citation: J Am Soc Mass Spectrom. 2004 Oct;15(10):1499-508
references.pmid: 15465363
references.citation: J Lipid Res. 2009 Aug;50(8):1692-707
references.pmid: 19036716
references.citation: Mass Spectrom Rev. 2003 Sep-Oct;22(5):332-64
references.pmid: 12949918
references.citation: Biochim Biophys Acta. 2004 Nov 8;1686(1-2):108-17
references.pmid: 15522827
references.citation: J Lipid Res. 2009 Apr;50 Suppl:S9-14
references.pmid: 19098281
references.citation: J Lipid Res. 2005 May;46(5):839-61
references.pmid: 15722563
references.citation: Cell. 2010 Dec 10;143(6):888-95
references.pmid: 21145456
references.citation: Mass Spectrom Rev. 2005 May-Jun;24(3):367-412
references.pmid: 15389848
references.citation: J Mass Spectrom. 2012 Jan;47(1):96-104
references.pmid: 22282095