Synapt OzID data set

Full description

Lipidomics is the study of lipids (fats) and the roles that they play in biology and biochemistry. Contemporary lipidomics relies heavily on workflows combining liquid chromatography with mass spectrometry. While such strategies typically provide evidence for many hundreds of lipid species in biological extracts, they can also belie an even greater molecular complexity arising from the presence of isomeric lipids, such as carbon-carbon double bond positional isomers. Ozone-induced dissociation (OzID) is an ion activation technology that exploits the gas-phase reaction between mass-selected ions and ozone inside a mass spectrometer and has been effectively employed to determine position(s) of double bonds in complex lipids.

This data set, and the accompanying manuscript, describe the implementation of OzID on a contemporary mass spectrometer (Waters Synapt G2-Si) to provide faster ozonolysis reactions, and the data resulting from coupling liquid chromatography to OzID on this platform. This record contains all of the original data files acquired and used to create the figures presented in "High pressure ozone-induced dissociation for lipid structure elucidation on fast chromatographic timescales," published in Analytical Chemistry in 2017 (DOI: 10.1021/acs.analchem.7b00268).