GNPS - Lacinutrix shetlandiensis sp. nov. WUR7 SPE-fractions DDA runs

The samples were analyzed by Dr. Ernest Oppong-Danquah, while molecular newtorking and chemoinformatic analysis were operated by Dr. Giovanni Andrea Vitale. The sample runs were executed in positive mode with the following conditions: capillary voltage: 3.0 kV, sample cone voltage: 30 V, source temperature: 150 C. A scan range from 50 to 1200 Da was used, MS2 fragmentation was achieved in DDA mode, with ramp collision energy: Low CE from 20_60 eV and a high CE of 40_80 eV.