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Lipid species and lipid classes were assigned in LipidSearch version 5.0 using accurate mass, chromatographic retention behavior, isotope pattern, and data-dependent MS/MS fragmentation. Named lipids were reported at MSI level 2 or level 3 according to the degree of spectral support available from the search output. Features that could not be assigned confidently were retained with stable feature identifiers rather than discarded. Composition-level duplicates lacking structural evidence were likewise retained as separate stable features and were not presented as definitive positional or double-bond isomers. Putative isomer labels were restricted to retention-time-separated unsaturated features, and LipidSearch scores were reported where they were available in the exported results. Verification item before external submissionThe revised manuscript reports positive-ion acquisition and does not specify several source-level settings, including spray voltage and source gases. If a repository or service provider requires those fields, retrieve them from the original Q Exactive HF-X instrument method rather than copying values from the generic Majorbio reference document.MetaboLightsPublicLiquid Chromatography MS - positive - reverse-phase Chromatography was carried out on a Thermo Scientific Vanquish Flex UHPLC system coupled online to a Q Exactive HF-X Orbitrap mass spectrometer. Lipids were separated on an Accucore C30 reversed-phase column (2.1 × 150 mm, 2.6 µm) maintained at 50°C and operated at a flow rate of 0.35 mL/min. Mobile phase A was acetonitrile:water (60:40, v/v) containing 10 mM ammonium formate and 0.1% formic acid. Mobile phase B was isopropanol:acetonitrile (90:10, v/v) containing the same additives. The total chromatographic run was 24 min, during which the proportion of mobile phase B increased from 30% to 99%.Maternal MASLD rewires milk bile-acid hydrophobicity to restrict microbiome-dependent neonatal ketone supply_milk.Institute of Clinical Pharmacology, Peking University Health Science Centeryuhang Zhangmilkmass spectrometry assay A single-use 10 µL aliquot of the L1–L3 composite was extracted with 300 µL methyl tert-butyl ether:methanol (3:1, v/v) containing SPLASH LipidoMix internal standards. The recovered organic phase was evaporated to dryness under nitrogen and reconstituted in isopropanol:acetonitrile:water (65:30:5, v/v/v) for LC–MS/MS analysis. Milk aliquots were stored at −80°C and were not subjected to freeze-thaw cycles before analytical extraction. Pooled quality-control injections and extraction blanks were included to monitor analytical stability and background signals throughout the untargeted lipidomics workflow.Mus musculushttps://www.ebi.ac.uk/metabolights/MTBLS15225yuhang Zhang. Institute of Clinical Pharmacology, Peking University Health Science Center. yuhang@pkufh.cn.hao liu. Peking University First Hospital. yuhang@pkufh.cn. Raw milk lipidomics files were processed in LipidSearch version 5.0 for chromatographic peak integration and feature-table generation. A pooled quality-control sample was injected after every eight study samples. Features were retained only when the pooled-QC coefficient of variation was no greater than 25% and extraction-blank intensity was below 20% of the pooled-QC signal. Accepted peak intensities were normalized to the appropriate SPLASH LipidoMix internal-standard response. For principal-component analysis only, isolated missing values were replaced with 0.8 times the minimum detected abundance of the corresponding feature, after which the normalized data were log transformed and Pareto scaled. This limited replacement step was not intended to redefine the underlying deposited quantitative matrix.Treatmentyuhang@pkufh.cnFor each dam, the analytical specimen was an equal-volume composite of milk collected on lactation days 1, 2, and 3.MetabolomicsMetabolomicsMus musculusuntargeted analysisThermo Scientific Vanquish Flex UHPLC Systemmilkneonatal ketone supplyuntargeted metabolite profilingneurodevelopmental programmingolyhydroxybutyrate metabolismpostnatal metabolic checkpointbile acid hydrophobicityThermo Scientific Q Exactive HF-Xexperimental blankmicrobiome-gut-brain axisMetabolomicsMus musculusuntargeted analysisThermo Scientific Vanquish Flex UHPLC Systemmilkneonatal ketone supplyuntargeted metabolite profilingneurodevelopmental programmingolyhydroxybutyrate metabolismpostnatal metabolic checkpointbile acid hydrophobicityThermo Scientific Q Exactive HF-Xexperimental blankmicrobiome-gut-brain axis Mass-spectrometric data were acquired on a Thermo Scientific Q Exactive HF-X Orbitrap equipped with an electrospray-ionization source operating in positive-ion mode. Full-scan spectra were collected from m/z 200 to 1,600 at 120,000 resolving power. Data-dependent MS/MS spectra were acquired at 30,000 resolving power with stepped normalized collision energies of 20, 30, and 40 to provide fragmentation information for lipid annotation. The study-specific manuscript does not report spray voltage, source-gas settings, capillary temperature, AGC target, or maximum injection time for this milk workflow. Those settings should therefore be copied from the original instrument method file, if required, rather than inferred from an unrelated generic protocol.falseMaternal MASLD rewires milk bile-acid hydrophobicity to restrict microbiome-dependent neonatal ketone supply_milkMaternal metabolic dysfunction-associated steatotic liver disease (MASLD) in mice creates a paradoxical neonatal ketone deficit during nursing, despite preserved hepatic ketogenesis, that precedes adult spatial memory impairment. Vulnerable litters show reduced β-hydroxybutyrate (β-HB) in the intestinal lumen, serum, and hippocampus. Increased milk bile-acid hydrophobicity is identified as an upstream determinant of a restrictive neonatal gut niche that suppresses microbiome-dependent depolymerization of poly-β-hydroxybutyrate (PHB) and limits portal β-HB delivery. Early hydrophilization of the neonatal bile-acid pool reopens this gut-to-brain ketone pathway, restores hippocampal β-HB, and prevents later memory impairment, whereas parenteral D-βHB bypass rescues brain ketone availability without correcting the upstream gut defect. A milk bile-acid hydrophobicity threshold prospectively identifies the rescuable high-risk state. These findings define a transferable postnatal metabolic checkpoint upstream of the liver.2026-08-022026-08-02MTBLS15225