Metabolite identification was performed by matching exact mass (mass tolerance < 10 ppm) and MS/MS spectra (mass tolerance < 0.01 Da) against public databases including HMDB, MassBank, and GNPS, as well as an in-house Bepu Metabolite Library (BP-DB).
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["Throughout the entire analytical process, samples were maintained at 4 °C in the autosampler. Separation was performed on a SHIMADZU-LC30 ultra-high performance liquid chromatography (UHPLC) system equipped with an ACQUITY UPLC HSS T3 column (2.1 × 100 mm, 1.8 µm; Waters, Milford, MA, USA). The injection volume was 6 µL, the column temperature was set at 40 °C, and the flow rate was 0.3 mL/min. Mobile phase A consisted of 0.1% formic acid in water, and mobile phase B was 0.1% formic acid in acetonitrile. The gradient elution program was applied as follows: 0–2 min, 0% B; 2–6 min, 0% to 48% B; 6–10 min, 48% to 100% B; 10–12 min, 100% B; 12–12.1 min, 100% to 0% B; and 12.1–15 min, 0% B.
"],"publication":["Butyric acid derived from porcine-derived antioxidant probiotic PGM326 enhances intestinal cell differentiation by promoting oxidative phosphorylation."],"submitter_affiliation":["Peking University"],"submitter_name":["Duo Keai"],"organism_part":["The intestinal contents of piglets"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["The samples were thawed at 4 °C and vortexed thoroughly. An aliquot of 600 μL from each sample was transferred to a microcentrifuge tube and dried under vacuum in a high-speed centrifugal concentrator. Then, 1 mL of pre-cooled methanol-water (4:1, v/v) was added, followed by mixing and sonication in an ice bath for 20 min. After standing at -20 °C for 1 h, the mixture was centrifuged at 16,000 × g and 4 °C for 20 min. The resulting supernatant was collected and concentrated to dryness again under vacuum. For LC–MS analysis, the residue was reconstituted in 100 μL of pre-chilled methanol-water (1:1, v/v), centrifuged at 20,000 × g and 4 °C for 15 min, and an appropriate volume of the supernatant was injected for analysis.
"],"organism":["bacillus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS13818"],"author":["Yitong Zhang. Hunan Normal University. 3277185620@qq.com.","Huansheng Yang. Hunan Normal University. yhs@hunnu.edu.cn."],"data_transformation_protocol":["Raw data were processed using the MSDIAL software for peak alignment, retention time correction, and peak area extraction.
"],"study_factor":["Group"],"submitter_email":["keaiduoduo998@126.com"],"sample_collection_protocol":["Strain PGM326, a porcine-derived antioxidant probiotic, was purified and cultured for more than three generations. The bacterial cells were then centrifuged at 4 °C (10000 × g, 5 min) to collect the strain PGM326-CFS (cell-free supernatant), which was subsequently sent to BiotechBio Corporation for metabolomic analysis.
Each sample was analyzed in both positive (+) and negative (-) ion modes using electrospray ionization (ESI). After UPLC separation, mass spectrometry was performed on a Q-Exactive Plus mass spectrometer (Thermo Scientific) equipped with a HESI ion source. The ionization parameters were set as follows: spray voltage: 3.8 kV (+) and 3.2 kV (-); capillary temperature: 320 °C; sheath gas: 30 arb; aux gas: 5 arb; probe heater temperature: 350 °C; S-lens RF level: 50. Mass spectrometry data were acquired under the following settings: acquisition time: 15 min; full scan range: m/z 75–1050; MS1 resolution: 70,000 at m/z 200; AGC target: 3e6; maximum ion injection time (IT) for MS1: 100 ms. For MS/MS analysis, the top 10 most intense precursor ions from each full scan were selected for fragmentation. The MS2 settings were: resolution: 17,500 at m/z 200; AGC target: 1e5; maximum IT: 50 ms; activation type: HCD; isolation window: 2 m/z; normalized collision energy (stepped): 20, 30, 40.
"],"metabolite_name":["α-D-Glucose","6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside","(R)-Dihydromaleimide","Guanosine","dAMP / 2'-Deoxyadenosine 5'-monophosphate","(S,S)-Np-Histidinylalanine","Edulisin I","Isopropyl beta-D-glucoside","L-N-(3-Carboxypropyl)glutamine","cadralazine","Methylpyrazine","O-Acetylserine","1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione","Penmacric acid","Bilobetin","Uroporphyrinogen I","Tartronate semialdehyde","Conivaptan","Pantothenamide","8-Hydroxyadenine","L-Xylulose","Isoplumbagin","Leucyl-Histidine","4-Acetamido-2-aminobutanoic acid","dCYD / 2'-Deoxycytidine","4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)","Citrusin E","O-Acetylethanolamine","L-2-Amino-3-(1-pyrazolyl)propanoic acid","1-Isothiocyanato-6-(methylsulfinyl)hexane","D-Glucuronic acid","D-1-Amino-2-pyrrolidinecarboxylic acid","Melleolide D","N-Acetyl-b-neuraminic acid","Pterolactam","2',3' cyclic CMP","Lysyl-Lysine","Telbivudine","(2S,3'S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid","xi-3-Hydroxy-2-oxobutanoic acid","Threoninyl-glutamate","Hydroxyminaline","Methyl N-methylanthranilate","trans-Aconitic acid","DL-Ornithino-L-alanine","Glucosylisomaltol","L-Cyclo(alanylglycyl)","Cephalexin","3-O-Caffeoyl-4-O-methylquinic acid","Artonin R","L-Homocystine","Gulonic acid","3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide","Xanthosine","T hymidine glycol","(2S,4S)-Pinnatanine","Valyl-Alanine","Di-2-furanylmethane","2,5-Furandicarboxylic acid","Glucosylgalactosyl hydroxylysine","trifluoroacetic acid","5'-O-Desmethyl omeprazole","S-Japonin","2-Hydroxy-4-oxopentanoic acid","L-Agaritine","L-Pinitol","N-(1-Deoxy-1-fructosyl)threonine","(S)-N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)alanine","L-Valine","5-Taurinomethyl-2-thiouridine","L-prolyl-L-glycine"],"additional_accession":[]},"is_claimable":false,"name":"Butyric acid derived from porcine-derived antioxidant probiotic PGM326 enhances intestinal cell differentiation by promoting oxidative phosphorylation","description":"This study not only identified an efficient host-homologous antioxidant probiotic, PGM326, but also systematically elucidated its mechanism of exerting antioxidant function by synthesizing BA to promote OXPHOS in intestinal epithelial cells, thereby enhancing cell differentiation. This provides a systematic solution for developing host-homologous, mechanism-defined antioxidant microecological feed additives.
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