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Unusual Applications of Kendrick Plots: Recalibration and Tolerance
Thierry N. J. Fouquet,Orlando Cabarcos 사단법인 한국질량분석학회 2023 Mass spectrometry letters Vol.14 No.4
Kendrick plots offer an alternative visualization of mass spectral data which reveals ion series and patterning by turn- ing a mass spectrum into a map, plotting the fractional mass (wrongly called mass defect) as a function of mass-to-charge ratios and ion abundances. Although routinely used for polymer mass spectrometry, two unreported applications of these Kendrick plots are proposed using the program “kendo2”: the graphical recalibration of a mass spectrum via the simulation of a theoretical fractional mass and a multi-segment fit; and the rapid evaluation of scan-to-scan variation of accurate mass measurements used as tolerances for the blank subtraction of UPLC-MS data files. Both applications are compatible with any type of high-resolution MS data including LC/GC-MS(/MS).