The de novo strategy facilitated the annotation of 1,786 features with at least one molecular formula and corresponding adduct type. Among these, 896 features garnered multiple proposals, while 890 features were associated with a single proposal, resulting in a cumulative count of 2,847 proposals. Following the subsequent re-ranking step, 1,300 distinct molecular formulas were attributed to the 1,786 features. Integration of the Pinaceae structural database into the annotation workflow enabled the annotation of 498 features, each associated with at least one potential structural candidate retrieved from the Pinaceae structural database, encompassing the assignment of 196 distinct structures as primary candidates. The five most frequently assigned structures the following: LTS0139452 (C 19 H 28 O 2 , 22 times), LTS0056945 (C 20 H 28 O 4 , 16 times), LTS0251392 (C 20 H 28 O 3 , 15 times), LTS0084143 (C 20 H 30 O 3 , 13 times) and LTS0241153 (C 20 H 32 O 2 , 11 times). Ultimately, 1,728 features have been annotated up to the chemical class level using the webservice CANOPUS integrated in SIRIUS. These annotations are categorised across seven biosynthesis pathways: terpenoids (663 instances), fatty acids (307 instances), polyketides (234 instances), shikimates and phenylpropanoids (160 instances), alkaloids (116 instances), amino acids and peptides (106 instances), and finally carbohydrates (41 instances).