title: Transferability of the electrospray ionization efficiency scale between different instruments.
abstract: For the first time, quantitative electrospray (ESI) ionization efficiencies (IE), expressed as logIE values, obtained on different mass-spectrometric setups (four mass analyzers and four ESI sources) are compared for 15 compounds of diverse properties. The general trends of change of IE with molecular structure are the same with all experimental setups. The obtained IE scales could be applied on different setups: there were no statistically significant changes in the order of ionization efficiency and the root mean of squared differences of the logIE values of compounds between the scales compiled on different instruments were found to be between 0.21 and 0.55 log units. The results show that orthogonal ESI source geometry gives better differentiating power and additional pneumatic assistance improves it even more. It is also shown that the ionization efficiency values are transferable between different mass-spectrometric setups by three anchoring points and a linear model. The root mean square error of logIE prediction ranged from 0.24 to 0.72 depending on the instrument. This work demonstrates for the first time the inter-instrument transferability of quantitative electrospray ionization efficiency data. Graphical Abstract ᅟ.
authors.affiliation: Institute of Chemistry, Faculty of Science and Technology, University of Tartu, Ravila 14A, 50411, Tartu, Estonia. jaanus.liigand@ut.ee.
authors.forename: Jaanus
authors.initials: J
authors.lastname: Liigand
authors.affiliation: Institute of Chemistry, Faculty of Science and Technology, University of Tartu, Ravila 14A, 50411, Tartu, Estonia.
authors.forename: Anneli
authors.initials: A
authors.lastname: Kruve
authors.affiliation: Institute of Chemistry, Faculty of Science and Technology, University of Tartu, Ravila 14A, 50411, Tartu, Estonia.
authors.forename: Piia
authors.initials: P
authors.lastname: Liigand
authors.affiliation: Institute of Chemistry, Faculty of Science and Technology, University of Tartu, Ravila 14A, 50411, Tartu, Estonia.
authors.forename: Asko
authors.initials: A
authors.lastname: Laaniste
authors.affiliation: Université de Lyon, F-69622, Lyon, France.|CNRS et Université de Lyon 1, UMR 5280 ISA, F-69622, Villeurbanne, France.
authors.forename: Marion
authors.initials: M
authors.lastname: Girod
authors.affiliation: Université de Lyon, F-69622, Lyon, France.|CNRS et Université de Lyon 1, UMR 5306 ILM, F-69622, Villeurbanne, France.
authors.forename: Rodolphe
authors.initials: R
authors.lastname: Antoine
authors.affiliation: Institute of Chemistry, Faculty of Science and Technology, University of Tartu, Ravila 14A, 50411, Tartu, Estonia.
authors.forename: Ivo
authors.initials: I
authors.lastname: Leito
keywords: Different instruments; ESI; Ionization efficiency; Mass spectrometry