To assess the NEO-MSMS library's annotation capability with real samples, we initially utilized the 'Spectral Library Search' workflow within GNPS . We used the .mgf files obtained following the preprocessing of serum and algae samples using MZmine3 described in the Methods section. The matching parameters were 0.6 minimum cosine score, at least 5 matching peaks, 0.02 Da precursor error, and 0.02 Da product ion error. Given these parameters, the results will be as follows: