MetaboLights

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ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/m_MTBLS14046_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/m_MTBLS14046_LC-MS_negative_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/s_MTBLS14046.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/a_MTBLS14046_LC-MS_positive_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/a_MTBLS14046_LC-MS_negative_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/NEG/T24429677a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/POS/T24429672a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/NEG/T24429682a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/POS/T24429677a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/NEG/T24429674a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/POS/T24429685a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/POS/T24429675a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/NEG/T24429684a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/POS/T24429680a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/POS/T24429679a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/NEG/T24429685a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/NEG/T24429675a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/NEG/T24429680a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/POS/T24429674a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/POS/T24429684a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/NEG/T24429679a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/NEG/T24429672a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/POS/T24429682a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/NEG/T24429683a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/NEG/T24429676a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/POS/T24429676a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/NEG/T24429678a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/POS/T24429683a.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046/FILES/DERIVED_FILES/POS/T24429678a.mzMLprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14046Database search: HMDB, KEGG, LipidMaps (±10 ppm); MS/MS match: MassBank, GNPS (cosine >0.7); RT tolerance ±30 s. Levels 1-4 identification. Software: MetaboAnalyst, SIMCA.MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phaseChromatographic separation was performed on a Waters ACQUITY UPLC I-Class System with an ACQUITY UPLC BEH C18 column (1.7 μm, 2.1 × 100 mm). The mobile phase consisted of (A) 0.1% formic acid in water and (B) 0.1% formic acid in acetonitrile, with a gradient of 5-95% B over 22 min. The column temperature was 40°C, flow rate 0.3 mL/min, and injection volume 5 μL. The autosampler was maintained at 4°C.Non-targeted metabolomics of mouse feces in response to dietary fiber.yangzhou universitywei liuintestinemass spectrometry assayFrozen fecal samples (~50 mg) were extracted with methanol/water (4:1) containing internal standards, homogenized by bead-beating, sonicated, and centrifuged. Supernatants were dried under nitrogen and reconstituted in 100 μL mobile phase, with pooled QC samples and solvent blanks prepared for quality control.Mus musculushttps://www.ebi.ac.uk/metabolights/MTBLS14046xiao xia. Yangzhou University. xiaoxia@yzu.edu.cn.wei liu. Yangzhou University. lw15264770396@163.com.Raw .raw files were converted to .mzML format using ProteoWizard MSConvert (v3.0). Peak detection and alignment were performed with XCMS (v3.14) using CentWave algorithm (10 ppm, peak width 5-20 s). Features with RSD >30% in QC samples or detected in <50% of samples were removed. Missing values were imputed by k-nearest neighbors (k=10). Data were normalized by total ion current (TIC) or probabilistic quotient normalization (PQN).Grouplw15264770396@163.comFecal samples were collected from C57BL/6J mice at 8 weeks of age. Samples were collected directly into sterile tubes and immediately snap-frozen in liquid nitrogen. All samples were stored at -80°C until further processing.Metabolomicsfecal samplesNon-targeted metabolomicdietary fiberfecal samplesNon-targeted metabolomicdietary fiberMass spectrometry was performed on a Thermo Q Exactive HF with HESI-II source in positive and negative modes (separate runs). Spray voltage was +3.5 kV (pos) and -3.2 kV (neg); capillary temperature 320°C; probe heater 350°C; sheath/aux gas 35/10 arb. Mass range m/z 70-1050; resolution 70,000 (MS) and 17,500 (MS/MS); ddMS2 on top 10 ions with stepped NCE 20/40/60 eV.falseNon-targeted metabolomics of mouse feces in response to dietary fiberNon-targeted metabolomic analysis of fecal samples from mice with and without soy dietary fiber in their diet2026-03-132026-03-13MTBLS14046