The Library
Pushing the analytical limits : new insights into complex mixtures using mass spectra segments of constant ultrahigh resolving power
Tools
Palacio Lozano, Diana Catalina, Gavard, Remy, Arenas-Diaz, Juan P., Thomas, Mary J., Stranz, David D., Meija-Ospino, Enrique, Guzman, Alexander, Spencer, Simon E. F., Rossell, David and Barrow, Mark P. (2019) Pushing the analytical limits : new insights into complex mixtures using mass spectra segments of constant ultrahigh resolving power. Chemical Science, 10 (29). pp. 6966-6978. doi:10.1039/C9SC02903F ISSN 2041-6520.
|
PDF
WRAP-pushing-analytical-limits-new-insights-complex-mixtures-mass-spectra-segments-constant-ultrahigh-resolving-power-Barrow-2019.pdf - Published Version - Requires a PDF viewer. Available under License Creative Commons Attribution. Download (2811Kb) | Preview |
|
|
PDF (Electronic Supplementary Information)
c9sc02903f1.pdf - Supplemental Material - Requires a PDF viewer. Available under License Creative Commons Attribution. Download (12Mb) | Preview |
Official URL: https://doi.org/10.1039/C9SC02903F
Abstract
A new strategy has been developed for characterization of the most challenging complex mixtures to date, using a combination of custom-designed experiments and a new data pre-processing algorithm. In contrast to traditional methods, the approach enables operation of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) with constant ultrahigh resolution at hitherto inaccessible levels (approximately 3 million FWHM, independent of m/z). The approach, referred to as OCULAR, makes it possible to analyze samples that were previously too complex, even for high field FT-ICR MS instrumentation. Previous FT-ICR MS studies have typically spanned a broad mass range with decreasing resolving power (inversely proportional to m/z) or have used a single, very narrow m/z range to produce data of enhanced resolving power; both methods are of limited effectiveness for complex mixtures spanning a broad mass range, however. To illustrate the enhanced performance due to OCULAR, we show how a record number of unique molecular formulae (244 779 elemental compositions) can be assigned in a single, non-distillable petroleum fraction without the aid of chromatography or dissociation (MS/MS) experiments. The method is equally applicable to other areas of research, can be used with both high field and low field FT-ICR MS instruments to enhance their performance, and represents a step-change in the ability to analyze highly complex samples.
Item Type: | Journal Article | ||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
||||||||||||||||||||||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Statistics |
||||||||||||||||||||||||
Library of Congress Subject Headings (LCSH): | Fourier transform nuclear magnetic resonance spectroscopy , Mass spectrometry | ||||||||||||||||||||||||
Journal or Publication Title: | Chemical Science | ||||||||||||||||||||||||
Publisher: | Royal Society of Chemistry | ||||||||||||||||||||||||
ISSN: | 2041-6520 | ||||||||||||||||||||||||
Official Date: | 5 July 2019 | ||||||||||||||||||||||||
Dates: |
|
||||||||||||||||||||||||
Volume: | 10 | ||||||||||||||||||||||||
Number: | 29 | ||||||||||||||||||||||||
Page Range: | pp. 6966-6978 | ||||||||||||||||||||||||
DOI: | 10.1039/C9SC02903F | ||||||||||||||||||||||||
Status: | Peer Reviewed | ||||||||||||||||||||||||
Publication Status: | Published | ||||||||||||||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||||||||||||||||||
Date of first compliant deposit: | 15 July 2019 | ||||||||||||||||||||||||
Date of first compliant Open Access: | 23 July 2019 | ||||||||||||||||||||||||
RIOXX Funder/Project Grant: |
|
||||||||||||||||||||||||
Open Access Version: |
Request changes or add full text files to a record
Repository staff actions (login required)
View Item |
Downloads
Downloads per month over past year