Metabolite identification was performed by matching the detected features against public and in-house databases, including the Human Metabolome Database (HMDB; http://www.hmdb.ca/), METLIN (https://metlin.scripps.edu/), and an in-house database.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["Chromatographic separation was carried out on an ACQUITY UPLC HSS T3 column (100 mm x 2.1 mm i.d., 1.8 μm; Waters, Milford, MA, USA). Mobile phase A consisted of water/acetonitrile (95:5, v/v) containing 0.1% formic acid, and mobile phase B consisted of acetonitrile/isopropanol/water (47.5:47.5:5, v/v/v) containing 0.1% formic acid. The injection volume was 3 μL, and the column temperature was maintained at 40℃.
200 μL of each sample was transferred into a 1.5 mL centrifuge tube. Then, 800 μL of extraction solvent consisting of methanol/acetonitrile (1:1, v/v) was added. The extraction solvent contained four internal standards, including L-2-chlorophenylalanine at a concentration of 0.02 mg/mL. The mixture was vortexed for 30 s and then subjected to low-temperature ultrasonic extraction for 30 min at 5℃ and 40 kHz. The supernatant was collected and dried under a gentle stream of nitrogen.
The raw data were preprocessed using Progenesis QI software, and a three-dimensional data matrix was exported in CSV format. The matrix contained sample information, metabolite names, and mass spectral response intensities. Internal standard peaks and known false-positive peaks, including noise peaks, column bleed peaks, and derivatization reagent-related peaks, were removed from the data matrix. Subsequently, peak de-redundancy and peak merging were performed to obtain the final processed dataset.
For bacterial culture-supernatant metabolomics, the standardized bacterial suspension was inoculated into TSB medium without PEG 6000 or TSB medium supplemented with 10% (w/v) PEG 6000, representing the control and osmotic-stress treatments, respectively. Six independent biological replicates were prepared for each treatment. After incubation at 27 ℃ for 3 d, culture supernatants were collected for LC-MS/MS metabolomic profiling.
"],"omics_type":["Metabolomics"],"study_design":["pooled quality control sample","Metabolomics","osmotic stress treatment design","Thermo Scientific Orbitrap Exploris 240","untargeted analysis","comparative design","Pseudarthrobacter oxydans","mixed sample","culture supernatant","experimental sample","untargeted metabolite profiling","Thermo Scientific Vanquish UHPLC System","Pool"],"curator_keywords":["pooled quality control sample","Metabolomics","osmotic stress treatment design","Thermo Scientific Orbitrap Exploris 240","untargeted analysis","comparative design","Pseudarthrobacter oxydans","mixed sample","culture supernatant","experimental sample","untargeted metabolite profiling","Thermo Scientific Vanquish UHPLC System","Pool"],"mass_spectrometry_protocol":["Mass spectrometric detection was performed using electrospray ionization (ESI) in both positive and negative ion modes. The scan range was set to m/z 70-1050. The sheath gas flow rate and auxiliary gas flow rate were set to 60 and 20 arb, respectively. The heater temperature was maintained at 350℃, and the capillary temperature was set to 320℃.
"],"additional_accession":[]},"is_claimable":false,"name":"Metabolite detection and analysis of bacterial strains","description":"This study investigated whether P. oxydans-secreted metabolites function as upstream metabolic signals that modulate host responses. We therefore compared the extracellular metabolomic profiles of P. oxydans cultured under control conditions and under 10% PEG 6000-induced osmotic stress.","dates":{"publication":"2026-07-03","submission":"2026-07-03"},"accession":"MTBLS14926","cross_references":{}}