Metabolites were analyzed using a targeted LC-MS/MS workflow based on predefined multiple reaction monitoring (MRM) transitions. Compound annotation was supported by the targeted acquisition method, chromatographic retention behavior, optimized instrument parameters, and an in-house metabolite database associated with the targeted assay. The study focused on targeted metabolites involved in central carbon metabolism and related pathways. Functional annotation of detected metabolites was further supported using the KEGG Compound database.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - alternating - hilic"],"chromatography_protocol":["Chromatographic separation was performed on a Waters ACQUITY UPLC H-Class system using an ACQUITY UPLC BEH Amide column (1.7 μm, 100 mm × 2.1 mm i.d.). The mobile phase consisted of solvent A, ultrapure water containing 10 mM ammonium acetate and 0.3% ammonium hydroxide, and solvent B, 90% acetonitrile/water (v/v). The flow rate was 0.40 mL/min, the column temperature was maintained at 40°C, and the injection volume was 2 μL. The gradient elution started at 95% B (0–1.2 min), decreased to 70% B at 8 min, decreased to 50% B from 9 to 11 min, and was then returned to the initial conditions for column re-equilibration.
"],"publication":["LC-MS/MS-based targeted metabolomics profiling of central carbon metabolites in Candida albicans SC5314 under control and treatment conditions."],"submitter_affiliation":["Tongji University"],"submitter_name":["zhe ji"],"organism_part":["fungal cell"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Approximately 50 mg of each sample (±2.5 mg) was transferred into a 2 mL centrifuge tube. Samples were extracted with 500 μL of pre-cooled 50% methanol aqueous solution containing internal standards and 500 μL dichloromethane, followed by vortexing for 3 min. The samples were centrifuged at 12,000 rpm for 10 min at 4°C, and 300 μL of the upper supernatant was transferred to a new 1.5 mL centrifuge tube. The extracts were incubated at -20°C for 30 min and centrifuged again at 12,000 rpm for 10 min at 4°C. After protein precipitation, 200 μL of the supernatant was collected for LC-MS/MS analysis. Prepared extracts were stored at -20°C before instrumental analysis.
"],"organism":["Candida albicans"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14973"],"author":["zhe ji. Tongji University. 2310999@tongji.edu.cn.","yuanying jiang. Tongji University. jiangyy@tongji.edu.cn."],"data_transformation_protocol":["LC-MS/MS data were acquired using Analyst software version 1.6.3 (SCIEX). Peak integration and targeted quantification of metabolites were performed using MultiQuant software version 3.0.3 (SCIEX). Quantitative peak area data were exported for downstream statistical and pathway analyses.
"],"study_factor":["Treatment"],"submitter_email":["2310999@tongji.edu.cn"],"sample_collection_protocol":["Samples of Candida albicans SC5314 were assigned to two experimental groups, Control and Treat, with three biological replicates per group. A total of six samples were included in this study. Samples were collected and handled under conditions intended to minimize metabolite degradation prior to extraction.The Treat group were given compound NT-F71 8 μg/mL for 4 hours.
"],"omics_type":["Metabolomics"],"study_design":["Candida albicans","Metabolomics","AB SCIEX QTRAP 6500+","Infection by Candida albicans","untargeted analysis","fungal cell","Fungal infection of kidney","antifungal agent","Waters ACQUITY UPLC system","ion mobility separation","mzML format","experimental sample"],"curator_keywords":["Candida albicans","Metabolomics","AB SCIEX QTRAP 6500+","Infection by Candida albicans","untargeted analysis","fungal cell","Fungal infection of kidney","antifungal agent","Waters ACQUITY UPLC system","ion mobility separation","mzML format","experimental sample"],"mass_spectrometry_protocol":["Mass spectrometric detection was carried out on a SCIEX QTRAP 6500+ LC-MS/MS system equipped with an ESI Turbo IonSpray interface and operated in both positive and negative ion modes. The source temperature was 550°C. The ion spray voltage was 5500 V in positive mode and -4500 V in negative mode. Curtain gas was set at 35 psi. Metabolites were analyzed using scheduled multiple reaction monitoring (MRM). Declustering potential (DP) and collision energy (CE) were optimized for individual MRM transitions, and analyte-specific transitions were monitored according to their chromatographic retention windows.
"],"metabolite_name":["6-Phosphogluconic-acid","Lactate","Guanosine","Fructose-1,6-bisphosphate","Oxaloacetate","3-phenyllactic acid","DL-Glyceric-Acid","ADP","NicotinaMide-adenine-dinucleotide(NAD)","Gluconate","Phosphoenolpyruvic-acid","L-Alanine","Itaconic-acid","2-Phospho-D-glyceric acid","Tyrosine","L-Leucine","AMP","L-Cystine","Threonine","Flavin-mononucleotide","D-Fructose-6-phosphate","Succinic Acid","Glyceraldehyde-3-phosphate","IMP","D-Ribulose-5-phosphate","Argininosuccinic-acid","Phosphorylethanolamine","Lysine","Fumaric-acid","L-Glutamic-acid","UMP","D-Glucose-1-phosphate","Ornithine","Trehalose-6-phosphate","dTMP","D-Glucose-6-phosphate","L-2-Hydroxyglutaric-acid-disodium","Pyruvic acid","Cyclic-AMP","L-Asparagine","Dihydroxyacetone-phosphate","UDP-GlcNAc","Malic-acid","D(+)-Glucose","L-citrulline","Glycerol-3-phosphate","Arginine","Alpha-Ketoglutaric Acid","Sedoheptulose-7-phosphate","cis-Aconitic-acid","Adenine","Dihydronicotinamide-adenine-dinucleotide-phosphate","Acetyl-CoA","D-Mannose-6-phosphate","dCMP","dAMP","Cysteic-acid","Xylulose-5-phosphate","Triphosphate-guanosine","3-phosphoglycerate","D-Ribose 5-phosphate-disodium","D-Erythrose 4-phosphate","Inosine","Uracil","ATP","L-Aspartate","Glutamine","Guanosine-diphosphate"],"additional_accession":[]},"is_claimable":false,"name":"LC-MS/MS-based targeted metabolomics profiling of central carbon metabolites in Candida albicans SC5314 under control and treatment conditions","description":"Targeted LC-MS/MS metabolomics was performed to profile central carbon and related metabolites in Candida albicans SC5314. Six samples from control and treatment groups were analyzed using UPLC-QTRAP 6500+ in scheduled MRM mode. Data were quantified with MultiQuant and analyzed using PCA, OPLS-DA, differential metabolite analysis, and KEGG enrichment.","dates":{"publication":"2026-07-08","submission":"2026-07-08"},"accession":"MTBLS14973","cross_references":{"MetaboLights":["MTBLC32816","MTBLC17053","MTBLC184023","MTBLC32805","MTBLC16452","MTBLC30796","MTBLC18012","MTBLC178083","MTBLC142789","MTBLC16708","MTBLC16474","MTBLC16761","MTBLC17202","MTBLC17835","MTBLC17568","MTBLC231660","MTBLC2125","MTBLC15741","MTBLC48153","MTBLC48928","MTBLC57998","MTBLC44897","MTBLC15978","MTBLC16108","MTBLC16077","MTBLC15721","MTBLC17363","MTBLC190546","MTBLC18283","MTBLC4170","MTBLC17138","MTBLC16349","MTBLC25094","MTBLC18186","MTBLC17552","MTBLC29016","MTBLC21260","MTBLC18257","MTBLC16015","MTBLC57427","MTBLC15351","MTBLC17553","MTBLC16750","MTBLC57972","MTBLC7292","MTBLC17489","MTBLC16264","MTBLC28300","MTBLC15422","MTBLC28895","MTBLC17621","MTBLC24996","MTBLC16283","MTBLC63528","MTBLC73467","MTBLC25998","MTBLC30838","MTBLC17596"],"ChEBI":["CHEBI:32816","CHEBI:17053","CHEBI:184023","CHEBI:32805","CHEBI:16452","CHEBI:30796","CHEBI:18012","CHEBI:178083","CHEBI:142789","CHEBI:16708","CHEBI:16474","CHEBI:16761","CHEBI:17202","CHEBI:17835","CHEBI:17568","CHEBI:231660","CHEBI:2125","CHEBI:15741","CHEBI:48153","CHEBI:48928","CHEBI:57998","CHEBI:44897","CHEBI:15978","CHEBI:16108","CHEBI:16077","CHEBI:15721","CHEBI:17363","CHEBI:190546","CHEBI:18283","CHEBI:4170","CHEBI:17138","CHEBI:16349","CHEBI:25094","CHEBI:18186","CHEBI:17552","CHEBI:29016","CHEBI:21260","CHEBI:18257","CHEBI:16015","CHEBI:57427","CHEBI:15351","CHEBI:17553","CHEBI:16750","CHEBI:57972","CHEBI:7292","CHEBI:17489","CHEBI:16264","CHEBI:28300","CHEBI:15422","CHEBI:28895","CHEBI:17621","CHEBI:24996","CHEBI:16283","CHEBI:63528","CHEBI:73467","CHEBI:25998","CHEBI:30838","CHEBI:17596"]}}