Rapid Quantification of Ethyl Carbamate in Spirits Using NMR Spectroscopy and Chemometrics

Table 2

Results of PLS correlation models between data of reference analysis and 2D J-resolved NMR spectra (10–6.0 ppm).

	n	Reference range, mg/L	RMSE, mg/L	𝑅^2
Calibration set 1	146	0–9.0	0.15	0.96
Calibration set 2^a	119	0–9.0	0.13	0.98
Validation set	43	0–5.0	0.14	0.89

^aUnrecorded alcohol (𝑛=27) samples were excluded from the calibration set 2.