dc.contributor.author |
Palacio Lozano, Diana Catalina |
dc.contributor.author |
Gavard, Remy |
dc.contributor.author |
Arenas Diaz, Juan P. |
dc.contributor.author |
Thomas, Mary J. |
dc.contributor.author |
Stranz, David D. |
dc.contributor.author |
Mejía-Ospino, Enrique |
dc.contributor.author |
Guzman, Alexander |
dc.contributor.author |
Spencer, Simon E.F. |
dc.contributor.author |
Rossell, David |
dc.contributor.author |
Barrow, Mark P. |
dc.date.accessioned |
2020-05-25T07:13:08Z |
dc.date.available |
2020-05-25T07:13:08Z |
dc.date.issued |
2019 |
dc.identifier.citation |
Palacio Lozano DC, Gavard R, Arenas-Diaz JP, Thomas MJ, Stranz DS, Mejía-Ospino E et al. Pushing the analytical limits: new insights into complex mixtures using mass spectra segments of constant ultrahigh resolving power. Chem Sci. 2019;10(29):6966-78. DOI: 10.1039/c9sc02903f |
dc.identifier.issn |
2041-6520 |
dc.identifier.uri |
http://hdl.handle.net/10230/44658 |
dc.description.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. |
dc.description.sponsorship |
This work was supported by a Newton Fund award (reference number 275910721), Research Agreement No. 5211770 UIS-ICP, and COLCIENCIAS (project No. FP44842-039-2015). Juan P. Arenas thanks COLCIENCIAS for the Scholarship. Rémy Gavard and Mary Thomas thank EPSRC for a PhD studentship through the EPSRC Centre for Doctoral Training in Molecular Analytical Science (grant number EP/L015307/1). David Rossell was partially supported by Ramon y Cajal Fellowship RYC-2015-18544 from Ministerio de Economia y Competitividad (Government of Spain) and by a "Ayudas Fundacion BBVA a Equipos de Investigacion Cientifica en Big Data 2017" award from the BBVA Foundation. |
dc.format.mimetype |
application/pdf |
dc.language.iso |
eng |
dc.publisher |
Royal Society of Chemistry |
dc.relation.ispartof |
Chemical Science. 2019;10(29):6966-78 |
dc.rights |
© This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (http://creativecommons.org/licenses/by/3.0/) |
dc.rights.uri |
http://creativecommons.org/licenses/by/3.0/ |
dc.subject.other |
Indicadors ambientals |
dc.subject.other |
Anàlisi -- Mètodes |
dc.title |
Pushing the analytical limits: new insights into complex mixtures using mass spectra segments of constant ultrahigh resolving power |
dc.type |
info:eu-repo/semantics/article |
dc.identifier.doi |
http://dx.doi.org/10.1039/c9sc02903f |
dc.relation.projectID |
info:eu-repo/grantAgreement/ES/1PE/RYC2015-18544 |
dc.rights.accessRights |
info:eu-repo/semantics/openAccess |
dc.type.version |
info:eu-repo/semantics/publishedVersion |