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A generic stepwise optimization strategy for liquid chromatography electrospray ionization tandem mass spectrometry methods
Uppsala University.
Uppsala University.
Mid Sweden University, Faculty of Science, Technology and Media, Department of Natural Sciences.ORCID iD: 0000-0002-3646-294X
2006 (English)In: Journal of Mass Spectrometry, ISSN 1076-5174, E-ISSN 1096-9888, Vol. 41, no 10, 1334-1345 p.Article in journal (Refereed) Published
Abstract [en]

The feasibility and advantages of using sophisticated chemometric tools in combination with the execution of thoroughly planned experiments to determine experimental conditions for optimal performance of an LC-ESI-MS/MS analysis is demonstrated. A stepwise strategy is proposed, which provides a controlled optimization procedure of the chromatographic quality (in terms of separation among the sample constituents) and maximizes the mass spectrometric signal of the selected product ions. Design of experiments (DOE) and response surface methodology are applied throughout the procedure. The stepwise approach has the advantage of dealing with the different optimization criteria separately, i.e. first ensuring sufficient chromatographic separation, then maximizing the amount of precursor ion entering the mass spectrometer, and finally generating high amounts of selected product ions. The experiments are performed on a linear ion trap mass spectrometer. Retention mapping using the band-tracking model is applied during LC development, which facilitates the optimization of segmented gradients. A set of different siderophores, strong iron chelates, is used as the model substances.

Place, publisher, year, edition, pages
2006. Vol. 41, no 10, 1334-1345 p.
Keyword [en]
LC, MS/MS, experimental design, chemometrics, optimization, retention model, siderophore
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:miun:diva-3802DOI: 10.1002/jms.1108ISI: 000241748500009Scopus ID: 2-s2.0-33750558968Local ID: 4276OAI: oai:DiVA.org:miun-3802DiVA: diva2:28834
Available from: 2008-09-30 Created: 2008-09-30 Last updated: 2016-09-30Bibliographically approved

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CiteExportLink to record
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Citation style
  • apa
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  • nn-NO
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