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Unusual Applications of Kendrick Plots: Recalibration and Tolerance
Mass Spectrometry Letters / Mass Spectrometry Letters, (P)2233-4203; (E)2093-8950
2023, v.14 no.4, pp.173-177
https://doi.org/10.5478/MSL.2023.14.4.173
(Surgical Analytical & Materials Science (SAMS))
(Surgical Analytical & Materials Science (SAMS))
(Surgical Analytical & Materials Science (SAMS))
Fouquet,
T. N. J., &
Cabarcos,
O.
(2023). Unusual Applications of Kendrick Plots: Recalibration and Tolerance. Mass Spectrometry Letters, 14(4), 173-177, https://doi.org/10.5478/MSL.2023.14.4.173
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Abstract
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).
- keywords
- Kendrick analysis, polymer mass spectrometry, LC-MS, calibration, blank subtraction, data processing
- Submission Date
- 2023-11-06
- Revised Date
- 2023-12-03
- Accepted Date
- 2023-12-14
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