GNPS - seq2pks data - Streptomyces polyketides

Streptomyces cinnamoneus NRRL B-24434 and Streptomyces aureoverticillatus NRRL B-3326 were cultivated in ISP2 liquid medium for 7 days at 28C. This was followed by n-butanol liquid:liquid extraction of the growth medium, rotovaporation, resuspension in 80% methanol, filtration with Whatman 0.2 micron syringeless filters followed by LC-MS/MS analysis. LC-MS data was collected on a Thermo QExactive Orbitrap connected to a Vanquish LC system. LC settings were as follows: injection volume 5 microliter, Phenomenex Kinetex 2.6 micrometer C18 reverse phase 100 A 150x3 mm LC column, LC gradient, solvent A, 0.1% formic acid, solvent B, acetonitrile (0.1% formic acid), 0 min, 10% B, 5 min, 60% B, 5.1 min, 95% B, 6 min, 95% B, 6.1 min, 10% B, 9.9 min, 10% B, 0.5 ml/min. MS settings were as follows - positive ion mode, full MS, resolution 70000, mass range 400-1200 m/z, dd-MS2 (data-dependent MS/MS), resolution 17500, AGC target 1x10^5, loop count 5, isolation width 1.0 m/z, collision energy 25 eV, dynamic exclusion 0.5 s.