Metabolite identification is based on accurate mass (error <10 ppm) and tandem mass spectrometry (MS/MS) fragment matching. Databases include a self-built lab database, HMDB, KEGG, Metlin, and metDNA. A total of 5,705 metabolites were identified, of which 4,879 received secondary identification.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["Instrument: Shimadzu LC-30A Ultra-High Performance Liquid Chromatography System.
Column: Waters ACQUITY Premier HSS T3 Column (1.8 μm, 2.1 mm × 100 mm).
Mobile phase: Phase A is 0.1% formic acid aqueous solution, Phase B is 0.1% formic acid acetonitrile solution.
Gradient elution: 0-2 min, 5%-20% B; 2-5 min, 20%-60% B; 5-6 min, 60%-99% B; 6-7.5 min, 99% B; 7.5-7.6 min, 99%-5% B; 7.6-10 min, 5% B.
Column temperature: 40℃; Flow rate: 0.4 mL/min; Injection volume: 4 μL.
"],"publication":["Mechanism of Blueberry Anthocyanins in Ameliorating Radiation-Induced Intestinal Injury through Gut Microbiota Modulation."],"submitter_affiliation":["Northern Theater Command General Hospital"],"submitter_name":["Aijing Yang"],"organism_part":["intestine"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Remove the sample from -80 ℃ and thaw it on ice. Weigh 20 mg of tissue and homogenize it at 30 Hz for 20 seconds after adding steel balls. Add 400 μ L of 70% methanol water (including internal standard) extract, shake at 1500 rpm for 5 minutes, and let it stand in an ice bath for 15 minutes. Centrifuge at 4 ℃ and 12000 rpm for 10 minutes, take 300 μ L of supernatant and let it stand at -20 ℃ for 30 minutes; Centrifuge again at 4 ℃ and 12000 rpm for 3 minutes, and take 200 μ L of supernatant for analysis on the machine.
The raw data were converted to mzXML format using ProteoWizard. Peak extraction, alignment, and retention time correction were performed using XCMS. Peaks with a missing rate >50% were filtered out, blank values were filled using KNN (R impute package), and peak area correction was performed using SVR. Finally, metabolites with an identification score ≥0.5 and QC sample CV <0.3 were selected for statistical analysis.
"],"study_factor":["Radiation","Blueberry anthocyanin"],"submitter_email":["368562539@qq.com"],"sample_collection_protocol":["This study collected a total of 18 mouse tissue samples, which were divided into three groups: control group, IR group, and BA group. After sample collection, quickly store it in a -80 ℃ freezer to avoid repeated freezing and thawing.
is protocol description
"],"omics_type":["Metabolomics"],"study_design":["Metabolomics","Intestinal dysbiosis","Mus musculus","intestine","AB SCIEX TripleTOF 6600+","untargeted analysis","XCMS","Shimadzu LC-30A Nexera UHPLC system","experimental blank","Shimadzu (China)","experimental sample"],"curator_keywords":["Metabolomics","Intestinal dysbiosis","Mus musculus","intestine","AB SCIEX TripleTOF 6600+","untargeted analysis","XCMS","Shimadzu LC-30A Nexera UHPLC system","experimental blank","Shimadzu (China)","experimental sample"],"mass_spectrometry_protocol":["Instrument: SCIEX TripleTOF 6600+high-resolution mass spectrometer.
Ion source: electric spray ionization (ESI), positive and negative ion mode switching acquisition.
Ion source temperature: 550 ℃ (positive ions)/450 ℃ (negative ions).
Ionization voltage: 5000 V (positive ions)/-4000 V (negative ions).
Scanning range: 50-1000 Da (first level), 25-1000 Da (second level).
Collision energy: 30 eV (positive ion)/-30 eV (negative ion).