“…4 ), but the conventional approach annotated some compounds that MSHub/GNPS missed, which included geosmin, cubenol, benzyl alcohol, 1 H -benzocycloheptene, and 4a S -cis-2,4a,5,6,7,8,9,9a-octahydro-3,5,5-trimethyl-9-methylene, all of which have insect repellent activities ( 51 – 54 , 63 , 64 ). In comparison, MSHub/GNPS was able to annotate some VOCs with antibacterial [1-tridecanol, 3-pentadecanol, and bis(2-ethylhexyl) phthalate] ( 53 , 54 ), antifungal [cis-9-hexadecenal, (Z)-12-octadecenoic acid methyl ester, hexanedioic acid, bis(2-ethylhexyl) ester, and octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] ( 63 – 69 ), and anticancer [6,10-dimethyl-4-undecanol and 1,2-benzenedicarboxylic acid bis(2-ethylhexyl) ester] ( 70 , 71 ) activities, which were missed by the conventional method. Results suggest that MSHub/GNPS and the conventional method are complementary due to obvious differences in design and workflow, and that the use of both methods is required for thorough volatilome characterization.…”