Dereplication applied to CPC fractions was performed using LC-HRMS 2 , and experimental spectral data were subjected to annotation using specific algorithms, including IIMN , FBMN , NAP , and SIRIUS . The experimental data were also compared to the simulated MS data of the custom Pinaceae structural and spectral DB using the opensource software MetGem . However, these results are not reported due to the low annotation rate, attributed to the poor quality of the predicted spectra as shown in Fig. .