I-R-Polar-Negative-0902 by Sheng-Yuan Ho (16909464)

“…The mass spectrometer was configured as follows: negative ion mode, capillary voltage of 2 kV, source temperature of 120°C, desolvation gas N2 at 900 L/h at 550°C, cone gas N2 at 15 L/h, capillary voltage of 2.8 kV, cone voltage of 40 V, and time-of-flight mass spectrometry (TOF MS) scan range of 50 to 1000 m/z. …”

Untargeted <i>In Vitro</i> Metabolomics data from <i>Burkholderia cenocepacia </i>J2315, H111 and <i>Staphylococcus aureus </i>NRS77 Biofilm Supernatant by Hayden Skaggs (20833868)

“…Thresholds were set as spectral similarity ≥ 0.4, retention time difference ≤ 0.15 and m/z variation window ≤ 5 ppm. 2D LC-MS/MS data without a match with the metabolites in the proprietary database were further analyzed using Compound Discoverer software (v 2.0, Thermo Fisher Scientific, Germany), where MS/MS spectra similarity score threshold was set ≥ 40 with a maximum score of 100. …”

<strong>Drought re-routes soil microbial carbon metabolism towards emission of volatile metabolites in an artificial tropical rainforest</strong> by Linnea Honeker (13113813)

“…The 90° H pulse was calibrated prior to the measurement of each sample with a spectral width of 12 ppm and 1024 transients. The NOESY mixing time was 100 ms and the acquisition time was 4 s followed by a relaxation delay of 1.5 s during which presaturation of the water signal was applied. …”