Mass spectrometric characterisation of fatty acid stereoisomers
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Data sets associated with the main text figures and supplementary information for the Analytical Chemistry publication "Young, Reuben S.E., Flakelar, Clare L., Narreddula, Venkateswara R., Jekimovs, Lachlan J., Menzel, Jan P., Poad, Berwyck L.J., & Blanksby, Stephen J. (2022) Identification of Carbon-Carbon Double Bond Stereochemistry in Unsaturated Fatty Acids by Charge-Remote Fragmentation of Fixed-Charge Derivatives. Analytical Chemistry, 94(46), pp. 16180-16188. https://eprints.qut.edu.au/240442/"
Data has been divided into primary folders, with labels referring to the relevant main/SI figure. Data folders include raw data files generated by the analytical instruments, .txt files, and Excel files showing worked data.
Geographical area of data collection
text
QUT - Gardens Point Campus, P Block, Brisbane City, QLD 4000, Australia.
Publications
Poad, Berwyck, Marshall, David, Harazim, Eva, Gupta, Raj, Narreddula, Venkateswara Reddy, Young, Reuben, Duchoslav, Eva, Campbell, J., Broadbent, James, Cvacka, Josef, Mitchell, Todd, & Blanksby, Stephen (2019) Combining charge-switch derivatization with ozone-induced dissociation for fatty acid analysis. Journal of the American Society for Mass Spectrometry, 30(10), pp. 2135-2143.
https://eprints.qut.edu.au/131340/
Poad, Berwyck L.J., Young, Reuben S.E., Marshall, David L., Trevitt, Adam J., & Blanksby, Stephen J. (2022) Accelerating Ozonolysis Reactions Using Supplemental RF-Activation of Ions in a Linear Ion Trap Mass Spectrometer. Analytical Chemistry, 94(9), pp. 3897-3903.
https://eprints.qut.edu.au/228873/
Narreddula, Venkateswara Reddy (2020) Development of novel derivatization reagents for analysis of isomeric fatty acids by liquid chromatography-mass spectrometry. PhD thesis, Queensland University of Technology.
https://eprints.qut.edu.au/136811/
Research areas
Instrumental
methods
(excl.
immunological
and
bioassay
methods)
Cite this collection
Young, Reuben; Flakelar, Clare; Narreddula, Venkatswara; Jekimovs, Lachlan; Menzel, Jan; Poad, Berwyck; Blanksby, Stephen; (2022): Mass spectrometric characterisation of fatty acid stereoisomers. Queensland University of Technology. (Dataset) https://doi.org/10.25912/RDF_1665635419048
Partner institution
School of Behavioural and Health Sciences, Australian Catholic University, Brisbane, QLD, Australia.
https://www.acu.edu.au/about-acu/faculties-directorates-and-staff/faculty-of-health-sciences/school-of-behavioural-and-health-sciences
Access the data
Data file types
.raw (Thermo Scientific data files, associated with XCalibur(R) software); .raw file folders (Waters data files, associated with MassLynx software); .wiff/.wiff.scan (Absciex data files, associated with Analyst or PeakView softwares); .csv (Excel file); .txt (text files, tab delineated); and .py (Python coding files).
Licence
Creative Commons Attribution-NonCommercial-Share Alike 4.0 (CC-BY-NC-SA)
http://creativecommons.org/licenses/by-nc-sa/4.0/
Copyright
© Reuben S. E. Young and Clare L. Flakelar, 2022.
Dates of data collection
From 2020-10-01 to 2022-03-30
Connections
Has chief investigator
Contacts
Other
Date record created:
2022-10-10T11:43:40
Date record modified:
2024-07-05T10:29:32
Record status:
Published - Open Access