2019-07-19T10:32:04 n124134

Plasma OzID data

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This data accompanies the manuscript "Mapping unsaturation in human plasma lipids by data-independent ozone-induced dissociation" authored by David L. Marshall, Angela Criscuolo, Reuben S. E. Young, Berwyck L. J. Poad, Martin Zeller, Gavin E. Reid, Todd W. Mitchell and Stephen J. Blanksby (In Press).


Over 1500 different lipids have been reported in human plasma at the sum composition level. Yet the number of unique lipids present is surely higher, once isomeric contributions from double bond location(s) and fatty acyl regiochemistry are considered. In order to resolve this ambiguity, herein we describe the incorporation of ozone-induced dissociation (OzID) into data-independent shotgun lipidomics workflows on a high-resolution hybrid quadrupole-Orbitrap platform. In this configuration, [M+Na]+ ions generated by electrospray ionization of a plasma lipid extract were transmitted through the quadrupole in 1 Da segments. Reaction of mass-selected lipid ions with ozone in the octopole collision cell yielded diagnostic ions for each double bond position. The increased ozone concentration in this region significantly improved ozonolysis efficiency compared to prior implementations on linear ion-trap devices. This advance translates into increased lipidome coverage, and improvements in duty cycle for data-independent MS/MS analysis using shotgun workflows. Grouping all precursor ions with a common OzID neutral loss enables straightforward classification of the lipidome by unsaturation position (with respect to the methyl terminus). 2-dimensional maps obtained from this analysis provide a powerful visualization of structurally-related lipids and lipid isomer families within plasma. Global profiling of lipid unsaturation in plasma extracts reveals that most unsaturated lipids are present as isomeric mixtures. These new insights provide a unique picture of underlying metabolism that could in the future provide novel indicators of health and disease.

The data consists of a Thermo RAW file, which requires Thermo XCalibur software to read.

Geographical area of data collection

8.990813,53.228910 8.481759,53.228910 8.481759,53.011152 8.990813,53.011152 8.990813,53.228910


Marshall, David L., Criscuolo, Angela, Young, Reuben S.E., Poad, Berwyck L.J., Zeller, Martin, Reid, Gavin E., Mitchell, Todd W., & Blanksby, Stephen J. (2019) Mapping unsaturation in human plasma lipids by data-independent ozone-induced dissociation. Journal of The American Society for Mass Spectrometry. (In Press) https://eprints.qut.edu.au/130909/

Research areas

Data-independent analysis
Analytical chemistry
Ozone-induced dissociation
Physical chemistry (incl. structural)

Cite this collection

Marshall, David L; Criscuolo, Angela; Young, Reuben S. E.; Poad, Berwyck L. J.; Zeller, Martin; Reid, Gavin E; Mitchell, Todd W; Blanksby, Stephen J (2019): Plasma OzID data. Queensland University of Technology. (Dataset) https://doi.org/10.25912/5ca3eed161916

Data file types

The data consists of a Thermo RAW file, which requires Thermo XCalibur software to read.


Creative Commons Attribution-NonCommercial-Share Alike 4.0 (CC-BY-NC-SA)


© Queensland University of Technology, 2019.

Dates of data collection

From 14-11-2017 to 22-11-2017


Has association with
Berwyck Poad  (Researcher)
David Marshall  (Researcher)
Has chief investigator
Stephen Blanksby  (Researcher)


Name: Dr David Marshall
Phone: +61 7 3138 3340


Date record created:
Date record modified:
Record status:
Published - Open Access