Annotation data by SIRIUS of strain KRD197 at 20, 25 and 30 C

This dataset includes molecular annotations generated using SIRIUS (v5.8.6) and CANOPUS for Rhodococcus sp. KRD197 cultivated at three temperatures (20 °C, 25 °C, and 30 °C). High-resolution MS/MS spectra were acquired using LC-HRMS/MS using a Dionex UltiMate™ 3000 coupled to Q-Exactive™ (Thermo-Scientific, Germany) in positive ionisation mode, and analysed using SIRIUS to predict molecular formulas and CANOPUS for compound class classification.Included files:Summary table of predicted compounds with molecular formula, adduct type, score, and classification.CANOPUS compound class predictions.These data support the metabolomic findings discussed for KRD197 in relation to temperature-dependent changes in metabolite production, and contribute to the conclusions drawn in Figures 4 and Supplementary Table S6 y S8.