title: Estimation of ion competition via correlated responsivity offset in linear ion trap mass spectrometry analysis: theory and practical use in the analysis of cyanobacterial hepatotoxin microcystin-LR in extracts of food additives.
abstract: Responsivity is a conversion qualification of a measurement device given by the functional dependence between the input and output quantities. A concentration-response-dependent calibration curve represents the most simple experiment for the measurement of responsivity in mass spectrometry. The cyanobacterial hepatotoxin microcystin-LR content in complex biological matrices of food additives was chosen as a model example of a typical problem. The calibration curves for pure microcystin and its mixtures with extracts of green alga and fish meat were reconstructed from the series of measurement. A novel approach for the quantitative estimation of ion competition in ESI is proposed in this paper. We define the correlated responsivity offset in the intensity values using the approximation of minimal correlation given by the matrix to the target mass values of the analyte. The estimation of the matrix influence enables the approximation of the position of a priori unknown responsivity and was easily evaluated using a simple algorithm. The method itself is directly derived from the basic attributes of the theory of measurements. There is sufficient agreement between the theoretical and experimental values. However, some theoretical issues are discussed to avoid misinterpretations and excessive expectations.
authors.affiliation: Laboratory of Applied System Biology, Institute of Complex Systems, Former Institute of Physical Biology, South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses, Faculty of Fisheries and Protection of Waters, University of South Bohemia in České Budějovice, Zámek 136, 37333 Nové Hrady, Czech Republic. urbanj@frov.jcu.cz
authors.forename: Jan
authors.initials: J
authors.lastname: Urban
authors.forename: Pavel
authors.initials: P
authors.lastname: Hrouzek
authors.forename: Dalibor
authors.initials: D
authors.lastname: Stys
authors.forename: Harald
authors.initials: H
authors.lastname: Martens
mesh_terms: D000458:Cyanobacteria / Q000302:isolation & purification*; D005503:Food Additives / Q000032:analysis*; D006801:Humans; D007477:Ions / Q000737:chemistry / Q000302:isolation & purification; D008387:Marine Toxins; D013058:Mass Spectrometry; D052998:Microcystins / Q000302:isolation & purification*; D010456:Peptides, Cyclic / Q000032:analysis; D012044:Regression Analysis
chemical_list: D005503:Food Additives; D007477:Ions; D008387:Marine Toxins; D052998:Microcystins; D010456:Peptides, Cyclic; C057862:cyanoginosin LR