The Celastraceae set disclosed here is composed of 36 species of 14 different genera and several plant parts that were analyzed for each species, totalizing 76 samples. This set was restricted to the samples available in the PFL collection and contains about 15% of all genera in the family. In the Celastraceae family, according to the LOTUS initiative (which gather most of the prior phytochemical public knowledge) 164 species (c.a. 12% of all species) from 36 genus (c.a. 37%) present at least one compound reported. This set covers about 30% of these studied genera and additionally three have not been phytochemically studied to our knowledge: Mystroxylon (Q9047958, WD query), Evonymopsis (Q151181. WD query) and Loeseneriella (Q9023498, WD query). The annotation results obtained from this set, as detailed in the Technical Validation section, offer a rather broad overview of the known Celastraceae family chemistry. The coverage of chemical classes, particularly agarofurans sesquiterpenoids, friedelane, and lupane triterpenoids, suggests that the dataset matches most of the reported compounds.