Data

Plasma OzID data

Queensland University of Technology
Marshall, David L ; Criscuolo, Angela ; Young, Reuben S. E. ; Poad, Berwyck L. J. ; Zeller, Martin ; Reid, Gavin E ; Mitchell, Todd W ; Blanksby, Stephen J
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ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rfr_id=info%3Asid%2FANDS&rft_id=info:doi10.25912/5ca3eed161916&rft.title=Plasma OzID data&rft.identifier=10.25912/5ca3eed161916&rft.publisher=Queensland University of Technology&rft.description=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). Abstract: 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. &rft.creator=Marshall, David L &rft.creator=Criscuolo, Angela &rft.creator=Young, Reuben S. E. &rft.creator=Poad, Berwyck L. J. &rft.creator=Zeller, Martin &rft.creator=Reid, Gavin E &rft.creator=Mitchell, Todd W &rft.creator=Blanksby, Stephen J &rft.date=2019&rft.edition=1&rft.relation=https://eprints.qut.edu.au/130909/&rft.coverage=8.990813,53.228910 8.481759,53.228910 8.481759,53.011152 8.990813,53.011152 8.990813,53.228910&rft_rights=© Queensland University of Technology, 2019.&rft_rights=Creative Commons Attribution-NonCommercial-Share Alike 3.0 http://creativecommons.org/licenses/by-nc-sa/4.0/&rft_subject=Lipidomics&rft_subject=Plasma&rft_subject=PHYSICAL CHEMISTRY (INCL. STRUCTURAL)&rft_subject=CHEMICAL SCIENCES&rft_subject=Ozone-induced dissociation&rft_subject=ANALYTICAL CHEMISTRY&rft_subject=Data-independent analysis&rft.type=dataset&rft.language=English Access the data

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CC-BY-NC-SA

Creative Commons Attribution-NonCommercial-Share Alike 3.0
http://creativecommons.org/licenses/by-nc-sa/4.0/

© Queensland University of Technology, 2019.

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Contact Information

Postal Address:
Dr David Marshall
Ph: +61 7 3138 3340

d20.marshall@qut.edu.au

Full description

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).

Abstract:

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.

Data time period: 09 05 0020 to 09 05 0028

Click to explore relationships graph

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

8.736286,53.120031

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