MetaboLights

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tabases/metabolights/studies/public/MTBLS15188/FILES/DERIVED_FILES/NEG/120-8_3599619_CN_QC_ddMS2-500-1010.mgfftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15188/FILES/DERIVED_FILES/POS/120-8_3599619_CP_QC_ddMS2-100-510.mgfftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15188/FILES/DERIVED_FILES/NEG/120-8_3599619_CN_QC_ddMS2-100-510.mgfftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15188/FILES/DERIVED_FILES/NEG/120-8_3599619_CN_QC_ddMS2-1000-1500.mgfftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15188/FILES/DERIVED_FILES/POS/120-8_3599619_CP_QC_ddMS2-1000-1500.mgfftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15188/FILES/DERIVED_FILES/NEG/120-8_3599619_CN_QC_ddMS2-100-1500.mgfftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15188/FILES/DERIVED_FILES/POS/120-8_3599619_CP_QC_ddMS2-100-1500.mgfprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15188These metabolites were annotated using the KEGG database (https://www.genome.jp/kegg/pathway.html), HMDB database (https://hmdb.ca/metabolites) and LIPIDMaps database (http://www.lipidmaps.org/). Principal components analysis (PCA) and Partial least squares discriminant analysis (PLS-DA) were performed at metaX[9] (a flexible and comprehensive software for processing metabolomics data). We applied univariate analysis (t-test) to calculate the statistical significance (P-value). FC refers to the fold change, which is the ratio of the mean of all biological repeated quantitative values of each metabolite in the comparison group. The differential metabolites were screened using VIP, P-value and FC. The specific standard outlined in Table 5.3 of the report.MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phaseUHPLC-MS/MS analyses were performed using a Vanquish UHPLC system (ThermoFisher, Germany) coupled with an Orbitrap Q ExactiveTM HF mass spectrometer, Orbitrap Q ExactiveTM HF-X mass spectrometer, Orbitrap Exploris 120 mass spectrometer or Orbitrap Exploris 480 mass spectrometer (Thermo Fisher, Germany) in Novogene Co., Ltd. (Beijing, China). Samples were injected onto a Hypersil Gold column (100 x 2.1 mm, 1.9 μm) using a 12-min linear gradient at a flow rate of 0.2 mL/min. The eluents for the positive and negative polarity modes were eluent A (0.1% FA in Water) and eluent B (Methanol). The solvent gradient was set as follows: 2% B, 1.5 min; 2-85% B, 3 min; 85-100% B, 10 min; 100-2% B, 10.1 min; 2% B, 12 min.Untargeted metabolomics profiling of gut metabolites in loperamide-induced constipation mice intervened by postbiotics.Peking UniversityDuo Keaimouse fecesmass spectrometry assayFecal samples were extracted with 80% methanol aqueous solution. The mixture was vortexed, subjected to ultrasonication, and centrifuged at 15000 x g for 20 min at 4 °C. The supernatant was collected for LC-MS detection. Pooled QC samples and solvent blank samples were prepared and processed identically alongside experimental samples.Mus musculushttps://www.ebi.ac.uk/metabolights/MTBLS15188Yanan Li. Nan Jing normal university. liyanan@njnu.edu.cn.Yue Peng. China Pharmaceutical university. 1291215969@qq.com.The data files generated by UHPLC-MS/MS were processed by XCMS to perform peak alignment, peak picking, and quantitation for each metabolite. Then, based on adduct ions and setting mass deviation to 10 ppm[6], a comparison was made between these data and the self-built high-quality secondary spectrum database (NovoMetDB) to obtain results for metabolite identification. Metabolites with more than 50% missing values in the samples were first filtered out and the remaining missing values were imputed using KNN. After eliminating background ions according to blank samples, the raw quantitative results were further processed to obtain relative peak areas, which included normalization and filtering out compounds whose relative peak areas exhibited a coefficient of variation (CV) greater than 30% in the quality control (QC) samples[8]. Relative peak areas = Raw quantitative value of samples/ (The sum of quantitative value of samples/ The sum of quantitative value of QC1). Data processing is based on the Linux operating system (CentOS version 6.6), using R and Python. For details on specific packages and software versions used, please refer to the README file included in the results.Groupkeaiduoduo998@126.comMouse fecal samples were collected and transferred into microcentrifuge tubes, then immediately frozen and stored at 80 °C until metabolite extraction.MetabolomicsThermo Scientific Vanquish UHPLC SystemMetabolomicsQ Exactive HF/Q Exactive HF-X/Orbitrap Exploris 120/ Orbitrap Exploris 480Mus musculusmouse fecesuntargeted analysisPostbioticsConstipationfecesuntargeted metabolite profilingThermo Scientific Vanquish UHPLC SystemMetabolomicsQ Exactive HF/Q Exactive HF-X/Orbitrap Exploris 120/ Orbitrap Exploris 480Mus musculusmouse fecesuntargeted analysisPostbioticsConstipationfecesuntargeted metabolite profilingThe m/z scan range was set at 100-1500. The ESI source parameters were configured as follows: Spray Voltage: 3.5 kV; Sheath gas flow rate: 35 psi; Aux Gas flow rate: 10 L/min; Capillary Temp: 320 °C; S-lens RF level: 60; Aux gas heater temp: 350 °C. Polarity: positive and negative. MS/MS acquisition was performed using data-dependent scans. Q ExactiveTM HF mass spectrometer was operated in positive/negative polarity mode with spray voltage of 3.5 kV, capillary temperature of 320 °C, sheath gas flow rate of 35 arb and aux gas flow rate of 10 arb, S-lens RF level of 60, Aux gas heater temperature of 350 °C.falseUntargeted metabolomics profiling of gut metabolites in loperamide-induced constipation mice intervened by postbioticsThis study performed untargeted metabolomics to investigate alterations of intestinal metabolites in loperamide-induced constipated mice. We aimed to characterize metabolic responses after intervention with postbiotics, and explore key metabolites correlated with constipation-relieving effects.2026-07-292026-07-29MTBLS15188