title: Sequential Collision- and Ozone-Induced Dissociation Enables Assignment of Relative Acyl Chain Position in Triacylglycerols.
abstract: Unambiguous identification of isomeric lipids by mass spectrometry represents a significant analytical challenge in contemporary lipidomics. Herein, the combination of collision-induced dissociation (CID) with ozone-induced dissociation (OzID) on an ion-trap mass spectrometer is applied to the identification of triacylglycerol (TG) isomers that vary only by the substitution pattern of fatty acyl (FA) chains esterified to the glycerol backbone. Isolated product ions attributed to loss of a single FA arising from CID of [TG + Na](+) ions react rapidly with ozone within the ion trap. The resulting CID/OzID spectra exhibit abundant ions that unequivocally reveal the relative position of FAs along the backbone. Isomeric TGs containing two or three different FA substituents are readily differentiated by diagnostic ions present in their CID/OzID spectra. Compatibility of this method with chromatographic separations enables the characterization of unusual TGs containing multiple short-chain FAs present in Drosophila.
authors.affiliation: Central Analytical Research Facility, Queensland University of Technology , Brisbane, Queensland 4001, Australia.
authors.forename: David L
authors.initials: DL
authors.lastname: Marshall
authors.affiliation: School of Chemistry, University of Wollongong , Wollongong, New South Wales 2522, Australia.
authors.forename: Huong T
authors.initials: HT
authors.lastname: Pham
authors.affiliation: Central Analytical Research Facility, Queensland University of Technology , Brisbane, Queensland 4001, Australia.
authors.forename: Mahendra
authors.initials: M
authors.lastname: Bhujel
authors.affiliation: Temasek Life Sciences Laboratory, National University of Singapore , 117604, Singapore.|Department of Biological Sciences, National University of Singapore , 117543, Singapore.
authors.forename: Jacqueline S R
authors.initials: JS
authors.lastname: Chin
authors.affiliation: Temasek Life Sciences Laboratory, National University of Singapore , 117604, Singapore.|Department of Biological Sciences, National University of Singapore , 117543, Singapore.
authors.forename: Joanne Y
authors.initials: JY
authors.lastname: Yew
authors.affiliation: Photosensitive Materials Research Center, Toyo Gosei Company, Ltd., Chiba 270-1609, Japan.
authors.forename: Kenji
authors.initials: K
authors.lastname: Mori
authors.affiliation: School of Medicine, University of Wollongong , Wollongong, New South Wales 2522, Australia.
authors.forename: Todd W
authors.initials: TW
authors.lastname: Mitchell
authors.affiliation: Central Analytical Research Facility, Queensland University of Technology , Brisbane, Queensland 4001, Australia.|School of Chemistry, University of Wollongong , Wollongong, New South Wales 2522, Australia.
authors.forename: Stephen J
authors.initials: SJ
authors.lastname: Blanksby
mesh_terms: D000818:Animals; D004330:Drosophila / Q000737:chemistry; D005227:Fatty Acids / Q000737:chemistry*; D007536:Isomerism; D013058:Mass Spectrometry; D010126:Ozone / Q000737:chemistry*; D014280:Triglycerides / Q000737:chemistry*
chemical_list: D005227:Fatty Acids; D014280:Triglycerides; D010126:Ozone