MetaboLightsapplication/xmlftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14879/m_MTBLS14879_LC-MS_positive_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14879/m_MTBLS14879_LC-MS_negative_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14879/a_MTBLS14879_LC-MS_positive_reverse-phase.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14879/a_MTBLS14879_LC-MS_negative_reverse-phase.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14879/s_MTBLS14879.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14879/i_Investigation.txtprimary200OKftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14879<p>Metabolites were annotated based on retention time, accurate mass, MS/MS fragmentation patterns, and isotope distribution. Annotation was performed using the Human Metabolome Database, LipidMaps v2.3, METLIN, and the LuMet-Animal local LC-MS/MS database. Identification scores were calculated using accurate mass matching, MS/MS fragmentation matching, isotope distribution matching, and retention-time matching, and compounds with scores below 36 out of 80 were removed before further analysis.</p>MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phase<p>Chromatographic separation was performed using a Waters ACQUITY UPLC I-Class plus system equipped with an ACQUITY UPLC HSS T3 column (100 mm × 2.1 mm, 1.8 μm). The column temperature was maintained at 45°C, the flow rate was 0.35 mL/min, and the injection volume was 4 μL. The mobile phases consisted of water containing 0.1% formic acid as solvent A and acetonitrile as solvent B, with the gradient set as follows: 0–2 min, 95% A; 4 min, 70% A; 8 min, 50% A; 10 min, 20% A; 14–15 min, 0% A; and 15.1–16 min, 95% A.</p>Untargeted metabolomic profiling of jejunal contents from yaks receiving dietary microbial fermentation-derived supplementation.Peking UniversityDuo Keaiintestinal contentsmass spectrometry assay<p>Approximately 30 mg of each sample was transferred into a 1.5 mL EP tube, mixed with two small steel beads, and extracted with 400 μL methanol/water solution (v/v = 4:1) containing mixed internal standards. Samples were precooled at 40°C for 2 min, homogenized at 45 Hz for 2 min, ultrasonically extracted in an ice-water bath for 10 min, stored at 40°C overnight, and centrifuged at 12,000 rpm for 20 min at 4°C. The supernatant was transferred into LC-MS vials for instrumental analysis, and pooled quality-control samples were prepared by mixing equal aliquots of all sample extracts.</p>Bos grunnienshttps://www.ebi.ac.uk/metabolights/MTBLS14879Yanbin Zhu. Xizang Academy of Agriculture and Animal Husbandry Sciences. zhuyanbin126@126.com.Xiaofei Yang. Xizang Academy of Agriculture and Animal Husbandry Sciences. yolandayangxiaofei@163.com.<p>Raw LC-MS/MS data were processed using XCMS v4.6.3 for baseline filtering, peak detection, peak integration, and retention-time correction. After positive- and negative-ion datasets were merged, ion peaks with QC sample RSD values greater than 0.3 were removed, features with more than 50% missing values within groups were excluded, and remaining zero values were replaced by half of the minimum ion intensity across all samples. The processed data matrix was then log2 transformed for downstream statistical and multivariate analyses.</p>Groupkeaiduoduo998@126.com<p>Jejunal content samples were collected aseptically at the end of the animal experiment and immediately transferred into sterile cryogenic tubes. All samples were rapidly frozen in liquid nitrogen and stored at 80°C until LC-MS/MS-based untargeted metabolomic analysis.</p>MetabolomicsMetabolomicsuntargeted metabolomicsyakruminant nutritionWaters ACQUITY UPLC I-Class PLUS Systemjejunal contentsBos grunniensuntargeted analysisintestinal contentsmicrobial fermentation-derived supplementationThermo QELC-MS/MSintestinal metabolitesIndividual jejunal content samplesMetabolomicsuntargeted metabolomicsyakruminant nutritionWaters ACQUITY UPLC I-Class PLUS Systemjejunal contentsBos grunniensuntargeted analysisintestinal contentsmicrobial fermentation-derived supplementationThermo QELC-MS/MSintestinal metabolitesIndividual jejunal content samples<p>Mass spectrometric detection was performed using a Thermo QE mass spectrometer coupled to the UPLC system and equipped with a heated electrospray ionization source. Data were acquired in both positive and negative ion modes using a data-dependent acquisition strategy with Full MS/dd-MS2 Top 10 scanning. The spray voltage was 3800 V in positive mode and 3200 V in negative mode; the capillary temperature was 320°C, auxiliary gas heater temperature was 350°C, sheath gas flow rate was 35 Arb, auxiliary gas flow rate was 8 Arb, S-lens RF level was 50, mass range was m/z 70–1050, Full MS resolution was 70,000, MS/MS resolution was 17,500, and stepped NCE values were 10, 20, and 40.</p>Chenodeoxycholyl-L-dopaN-AcetylgalactosamineFAPy-adenineHydroxyprolyl-AlanineSpermine dialdehydeThioguanineN-hydroxy-L-tryptophan5,6-Dihydro-11-methoxyyangoninGilteritinibUrsodeoxycholic acid4-Trimethylammoniobutanoic acid3'-DeoxythymidineNitroglycerinPC(2:0/18:1-O(9S,10R))VephyllinePropyl 1-(propylsulfinyl)propyl disulfideIndolylacryloylglycine1-AcetylprolineProlylphenylalanineIsoferulic acid 3-sulfate2,8-Quinolinediol8-Hydroxyguanosine3-(3-Hydroxyphenyl)propanoic acidN-PropionylmethionineEnterolactone 3''-glucuronideHept-5-enoylcarnitineZingerone glucosideLycoperdic acidPentidsDeracoxibHHPAA sulfateSpermine(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xylosideSuccinic acidUndecanoylcholineMukeic acid3-Hydroxychlorpropamide2,3-Dinitrobenzamide6,8-DihydroxypurinePenicillin K2-(4-Hydroxy-3,5-di-tert-butylphenylthio)-hexanoic acid5-(2-Aminopropyl)benzofuranDesaminosulfamethazine2-AminobenzimidazoleLucidenic acid D1Hydroxyphenyllactic acid(2S)-2-Amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acidD-(+)-CellobiosePandamarilactam 3xTetraethylene glycol monododecyl etherKifunensine(10E)-8-Hydroxydodec-10-enoylcarnitineRESAZURINHeptanoylcholine3-Hydroxybenzyl alcohol3-Methyl-2-cyclopenten-1-oneEthyl N2-acetyl-L-argininatefalseUntargeted metabolomic profiling of jejunal contents from yaks receiving dietary microbial fermentation-derived supplementationThis project contains untargeted LC–MS/MS metabolomic data generated from jejunal content samples of adult male yaks under different dietary conditions. Samples from yaks fed a basal diet and those receiving dietary microbial fermentation-derived supplementation were analyzed to characterize changes in the intestinal metabolic profile. The dataset was produced using liquid chromatography coupled with high-resolution mass spectrometry and was designed to support comparative analysis of metabolite features, chemical classes, and metabolic pathways associated with diet-related modulation of the intestinal biochemical environment in ruminants. These data provide a resource for investigating intestinal metabolite variation and host–microbiota-associated metabolic responses in yak production systems.2026-06-282026-06-28MTBLS14879HMDB0033071HMDB0059712HMDB0241225HMDB0253800HMDB0030319HMDB0004816HMDB0246396HMDB0013322HMDB0038722HMDB0252056HMDB0246094HMDB0242126HMDB0028856HMDB0000254HMDB0245008HMDB0252717HMDB0031546HMDB0257158HMDB0251106HMDB0034617HMDB0014496HMDB0240311HMDB0251022HMDB0246913HMDB0013076HMDB0000755HMDB0040558HMDB0000375HMDB0255152HMDB0014865HMDB0000055HMDB0041748HMDB0241683HMDB0240380HMDB0288858HMDB0011179HMDB0240433HMDB0001256HMDB0014025HMDB0033610HMDB0251030HMDB0000212HMDB0001161HMDB0002044HMDB0246716HMDB0030417HMDB0001182HMDB0006005HMDB0242407HMDB0038199HMDB0000946HMDB0247220HMDB0245406HMDB0094704HMDB0256229HMDB0013239HMDB0256231