Determination of coeluted isomers in wine samples by application of MS/MS deconvolution analysis

Journal of Mass Spectrometry : JMS
Marta MenicattiGianluca Bartolucci

Abstract

Two organic acids isomers, 3-isopropylmalic acid (3-IPMA) and 2-isopropylmalic acid (2-IPMA), were identified and quantified in wine samples by using an LC-MS/MS method without any chromatographic separation, but processing the MS/MS data with a recently developed deconvolution algorithm (LEDA: linear equations deconvolution analysis), thus decreasing the time necessary for the process. In particular, the LEDA tool processes the MS/MS signals and assigns the relative concentrations (abundances) of the isomers in the sample, at the mg L-1 level. The efficiency of MS/MS signal assignment was improved by introducing five linear equations to define the LEDA matrix. Then, as a novel approach, an overdetermined system of linear equations was applied for the deconvolution of isomers. The use of LEDA to identify and quantify the isomers in wine samples, together with the choice of a short LC column and a fast elution gradient, simplifies the process and shortens the time needed. Furthermore, it was evaluated the quantitative determination of the IPMA isomers by using the calibration curve provided by the precursor ion MRM transition data. The calculated values of accuracy (recovery between 82.6% and 99.8%) and precision (RSD between 0....Continue Reading

References

May 15, 2001·Journal of the American Society for Mass Spectrometry·W A TaoR G Cooks
Jul 21, 2009·Journal of the American Society for Mass Spectrometry·Tzipporah M KerteszDavid F Grant
Sep 29, 2011·Journal of the American Society for Mass Spectrometry·Antony MemboeufYves Gimbert
Nov 25, 2016·European Journal of Mass Spectrometry·Marta MenicattiGianluca Bartolucci
Feb 7, 2017·Journal of Medicinal Food·Sara SalucciElisabetta Falcieri

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Citations

May 11, 2021·Analytical Methods : Advancing Methods and Applications·Weifeng FanZhengming Qian

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