Metabolite identification was performed against the online METLIN database and the Biomarker self built database within Progenesis QI, together with theoretical fragment recognition. The mass tolerance was set to 100 ppm for precursor ions and 50 ppm for fragment ions. Metabolite identification was confirmed by accurate mass matching (<25 ppm) and secondary spectra comparison.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["An Agilent 1290 Infinity UHPLC system was used for chromatographic separation. The column was an Acquity UPLC HSS T3 column (1.8 µm, 2.1 × 100 mm, Waters). The mobile phase consisted of (A) 0.1% formic acid in water and (B) 0.1% formic acid in acetonitrile. The flow rate was set to 400 µL/min, the injection volume was 2 µL, and the column temperature was maintained at the manufacturer’s default . The gradient program was as follows: 0 min, 95% A / 5% B; 0.5 min, 95% A / 5% B; 5.5 min, 50% A / 50% B; 9.0 min, 5% A / 95% B; 10.5 min, 5% A / 95% B; 12.0 min, 95% A / 5% B.
"],"publication":["A study on cadmium immobilization by bacterial consortia: Achromobacter insuavis SL8 and Enterobacter cancerogenus SL12."],"submitter_affiliation":["Hunan Academy of Agricultural Sciences"],"submitter_name":["Xin Li"],"organism_part":["Supernatant"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["For metabolite extraction, 100 μL of supernatant was mixed with 500 μL of methanol acetonitrile (1:1, v/v), vortexed for 30 s, and ultrasonicated in an ice water bath for 10 min. The mixture was incubated at −20 °C for 1 h and then centrifuged at 4 °C. A 500 μL aliquot of the supernatant was dried using a vacuum concentrator. The dried residue was reconstituted, vortexed for 30 s, ultrasonicated again for 10 min, and centrifuged at 12,000 rpm for 15 min at 4 °C. A 120 μL portion of the final supernatant was transferred to an injection vial. Quality control (QC) samples were prepared by pooling 10 μL from each sample.
"],"organism":["Achromobacter insuavis","Achromobacter insuavis Enterobacter cancerogenus","Enterobacter cancerogenus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14477"],"author":["Shengying Ji.","Di Peng.","Xin Li. Hunan Academy of Agricultural Sciences. s2007203272@yeah.net.","Yu Tao.","Chi Zhou."],"data_transformation_protocol":["Raw data acquired with MassLynx V4.2 were processed using Progenesis QI software for peak picking, peak alignment, and other data processing steps. Metabolite identification was performed against the online METLIN database and the Biomarker self built database within Progenesis QI, together with theoretical fragment recognition. The mass tolerance was set to 100 ppm for precursor ions and 50 ppm for fragment ions.
"],"study_factor":["Treatment"],"submitter_email":["s2007203272@yeah.net"],"sample_collection_protocol":["Bacterial strains “SL8”, “SL12”, and their co-culture “SL8+SL12” were grown in LB medium supplemented with or without 100 mg/L cadmium(II) for 48 hours. Six biological replicates were prepared per treatment. After incubation, the cultures were centrifuged at 10,000 rpm to separate the supernatant (containing extracellular metabolites) from the cell pellet.
"],"omics_type":["Metabolomics"],"study_design":["ultra-performance liquid chromatography-mass spectrometry","pooled quality control sample","Metabolomics","Achromobacter insuavis","untargeted analysis","Supernatant","Achromobacter insuavis Enterobacter cancerogenus","Agilent 1290 Infinity LC","Enterobacter cancerogenus","AB SCIEX TripleTOF 5600","experimental sample","untargeted metabolite profiling"],"curator_keywords":["ultra-performance liquid chromatography-mass spectrometry","pooled quality control sample","Metabolomics","Achromobacter insuavis","untargeted analysis","Supernatant","Achromobacter insuavis Enterobacter cancerogenus","Enterobacter cancerogenus","Agilent 1290 Infinity LC","untargeted metabolite profiling","AB SCIEX TripleTOF 5600","experimental sample"],"mass_spectrometry_protocol":["Mass spectrometry was performed on a TripleTOF 5600 mass spectrometer (SCIEX) coupled with the Agilent 1290 UHPLC system. Electrospray ionization (ESI) was used in both positive and negative ion modes. The m/z range was set from 50 to 1200. Data acquisition was carried out in information dependent acquisition (IDA) mode to collect both MS and MS/MS spectra. The key ion source parameters were as follows: capillary voltage +2500 V (positive mode) or −2000 V (negative mode); cone voltage 30 V; source temperature 100 °C; desolvation temperature 500 °C; cone gas flow 50 L/h; desolvation gas flow 800 L/h. Scan rate was set to 0.2 seconds per spectrum.
"],"additional_accession":[]},"is_claimable":false,"name":"Metabolomic analysis of extracellular metabolites from bacterial strains SL8, SL12 and their co-culture under cadmium stress","description":"In this study, bacterial strains 'SL8', 'SL12', and the cocultured 'SL8+SL12' were cultivated in LB medium with or without 100 mg/L cadmium(II) for 48 hours (six replicates per treatment). After centrifugation, extracellular metabolites in the supernatant were extracted using a methanol acetonitrile (1:1) solution, followed by vortexing, ultrasonic treatment, precipitation at -20°C, and centrifugation. The dried extract was reconstituted, ultrasonicated, and centrifuged again. A 120 µL aliquot was transferred for LC-MS analysis, and pooled QC samples were prepared from 10 µL of each sample.
","dates":{"publication":"2026-05-26","submission":"2026-05-14"},"accession":"MTBLS14477","cross_references":{}}