Metabolite annotation was carried out by matching experimental MS/MS spectra against public spectral databases including HMDB and KEGG. A similarity score cutoff of 0.5 and mass tolerance of 10 ppm were applied to support metabolite identification. Annotation was performed using an in-house R-based pipeline integrated with xcms outputs.
"],"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 performed on a Vanquish Focused UHPLC system (Thermo Fisher Scientific) using an ACQUITY BEH C18 column (2.1 ? 100 mm, 1.7 μm; Waters) maintained at 40 °C. The mobile phases were 0.1% formic acid in water (A) and 0.1% formic acid in acetonitrile (B). The gradient was: 0-1 min, 0% B; 1-8 min, linear to 100% B; 8-11 min, hold 100% B; 11-12 min, return to 0% B; 3 min re-equilibration. Flow rate was 0.25 mL/min and injection volume 10 μL.
"],"publication":["Untargeted metabolomics analysis of aging and drug intervention in mice."],"submitter_affiliation":["Graduate Institute of Natural Products, Chang Gung University"],"submitter_name":["Shu-Fang Cheng"],"organism_part":["urine","Solvent"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["For each sample, 100 μL of urine was mixed with 400 μL of extraction solvent (methanol:acetonitrile, 1:1, v/v). The mixture was vortexed for 30 s, sonicated in an ice-water bath for 10 min, incubated at -20 °C for 1 h, and centrifuged at 12,000 rpm for 15 min at 4 °C. The resulting supernatants were transferred to LC vials for UHPLC-MS/MS analysis. A pooled quality control (QC) sample was prepared by combining equal volumes of supernatants from all individual samples. Solvent blanks were also included to monitor background signals.
"],"organism":["Mus musculus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS12889"],"author":["Chin-Chuan Chen. Graduate Institute of Natural Products, Chang Gung University. No.259, Wenhua 1st Rd., Guishan Dist., Taoyuan City 33302, Taiwan (R.O.C.). chinchuan@mail.cgu.edu.tw.","Shu-Fang Cheng. Graduate Institute of Natural Products, Chang Gung University. No.259, Wenhua 1st Rd., Guishan Dist., Taoyuan City 33302, Taiwan (R.O.C.). wazai1023@gmail.com."],"data_transformation_protocol":["Raw LC-MS/MS files were converted to mzXML format using ProteoWizard. Peak detection, alignment, and integration were performed in R using the xcms package (v3.12.0) with Autotuner (v1.4.0) for parameter optimization. Data matrices were normalized to pooled QC samples and log-transformed prior to downstream statistical analysis.
"],"study_factor":["Age"],"submitter_email":["wazai1023@gmail.com"],"sample_collection_protocol":["Urine samples were collected from Mus musculus at 50 weeks (young), 128 weeks (aged), and 128 weeks with long-term drug supplementation under standard diet. Samples were collected into sterile tubes and stored at ??0 °C until analysis.
"],"omics_type":["Metabolomics"],"study_design":["Mus musculus","urine","untargeted analysis","ultra-performance liquid chromatography","Aging","untargeted metabolites","Ultra High-performance Liquid Chromatography/Tandem Mass Spectrometry","experimental blank","Solvent","Thermo Scientific Q Exactive Plus","Dietary Intervention"],"curator_keywords":["Mus musculus","urine","untargeted analysis","ultra-performance liquid chromatography","Aging","untargeted metabolites","Ultra High-performance Liquid Chromatography/Tandem Mass Spectrometry","experimental blank","Solvent","Thermo Scientific Q Exactive Plus","Dietary Intervention"],"mass_spectrometry_protocol":["Mass spectrometric analysis was performed on an Orbitrap QE Plus mass spectrometer (Thermo Fisher Scientific) via electrospray ionization. Data were acquired in both positive and negative ion modes. Full MS scans (m/z 70-1000) were collected at 60,000 resolution, followed by MS/MS scans at 15,000 resolution with normalized collision energy of 25. Source settings: spray voltage 3.5 kV, capillary temperature 280 °C, sheath gas 30, auxiliary gas 5. QC samples were injected every five runs for normalization.
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metabolomics of long-term drug intervention under standard diet in mice associated with lifespan","description":"This study investigates urinary metabolic differences in young mice, aged mice, and aged mice supplemented with long-term drug intervention under standard diet. Untargeted metabolomics was performed using UHPLC-MS/MS in both positive (POS) and negative (NEG) ionization modes. The dataset provides raw and derived data with metadata and protocols, supporting the characterization of metabolic alterations associated with aging and potential drug-related effects on lifespan.
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