Mass spectrometric characterisation of fatty acid stereoisomers
Data sets associated with the main text figures and supplementary information for the Analytical Chemistry publication "Identification of carbon-carbon double bond stereochemistry in unsaturated fatty acids by charge-remote fragmentation of fixed-charge derivatives".
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
QUT - Gardens Point Campus, P Block, Brisbane City, QLD 4000, Australia.
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/
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
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).
Creative Commons Attribution-NonCommercial-Share Alike 4.0 (CC-BY-NC-SA)
© Reuben S. E. Young and Clare L. Flakelar, 2022.
Dates of data collection
From 2020-10-01 to 2022-03-30
Has association with
Has chief investigator
Name: Professor Stephen Blanksby
Phone: +61 7 3138 3343
Date record created:
Date record modified:
Published - Open Access