correct data for natural abundance of 13C using accucor algorithm.
correctNatAb13C(fadata, resolution = 140000, purity = 0.99)corrected fadata.
fadata.
resolution of the mass spectrometer.
purity of the tracer employed.
M Isabel Alcoriza-Balaguer <maribel_alcoriza@iislafe.es>
Su X, Lu W, Rabinowitz J (2017). “Metabolite Spectral Accuracy on Orbitraps.” Analytical Chemistry, 89(11), 5940-5948, PMID: 28471646, R package version 0.2.4 (2021), <https://doi.org/10.1021/acs.analchem.7b00396>.