MetaboLights

application/xml

ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/m_MTBLS15818_LC-MS_negative_reverse-phase-1_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/m_MTBLS15818_LC-MS_positive_reverse-phase-1_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/s_MTBLS15818.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/a_MTBLS15818_LC-MS_positive_reverse-phase-1.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/a_MTBLS15818_LC-MS_negative_reverse-phase-1.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_AngII_H_V_1.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/AngII_H_V_4.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_AngII_6.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/AngII_3.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/AngII_H_V_1.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_AngII_3.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/AngII_H_V_2.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_AngII_4.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_QC01.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/QC01.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_AngII_H_V_4.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/AngII_6.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/AngII_H_V_5.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/QC03.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_AngII_H_V_6.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_AngII_1.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/AngII_4.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_QC03.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_AngII_H_V_5.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/AngII_H_V_3.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_AngII_2.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_AngII_H_V_2.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_AngII_5.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/AngII_2.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/AngII_1.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/AngII_H_V_6.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_AngII_H_V_3.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/NEG/neg_QC02.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/AngII_5.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/DERIVED_FILES/POS/QC02.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/RAW_FILES/POS.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818/FILES/RAW_FILES/NEG.zipprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15818After these transformations, PCA(principle component analysis, PCA), an unsupervised analysis that reducesthe dimension of the data, was carried out to visualize the distribution andthe grouping of the samples. 95% confidence interval in the PCA score plotwas used as the threshold to identify potential outliers in the dataset.In order to visualize group separation and find significantly changedmetabolites, supervised orthogonal projections to latent structuresdiscriminateanalysis (OPLS-DA) was applied. Then, a 7-fold cross validationwas performed to calculate the value of R2 and Q2. R2 indicates how well thevariation of a variable is explained and Q2 means how well a variable couldbe predicted. To check the robustness and predictive ability of the OPLS-DAmodel, a 200 times permutations was further conducted. Afterward, the R2and Q2 intercept values were obtained. Here, the intercept value of Q2represents the robustness of the model, the risk of overfitting and thereliability of the model, which will be the smaller the better.MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phaseThe animal tissue samples (25 mg±1 mg) were taken, mixed with beads and 500 μL of extraction solution (MeOH:ACN:H2O, 2:2:1 (v/v)). Theextraction solution contain deuterated internal standards. The mixed solution were vortexed for 30 s.The soil samples (100 mg±1 mg) were taken, mixed with beads and 500 μL of extraction solution (MeOH:ACN:H2O, 2:2:1 (v/v)). The extractionsolution contain deuterated internal standards. The mixed solution were vortexed for 30 s. The plant samples (20 mg±1 mg) were taken and lyophilized, mixed with beads and 1000 μL of extraction solution (MeOH:ACN:H2O, 2:2:1 (v/v)). The extraction solution contain deuterated internal standards. The mixed solution were vortexed for 30 s. Then the mixed samples were homogenized (35 Hz,4 min) and sonicatedfor 5 min in 4 ℃ water bath, the step repeat for three times. The samples were incubated for 1 h at -40 ℃ to precipitate proteins.Then the samples ware centrifuged at 12000 rpm (RCF=13800(×g),R= 8.6cm) for 15 min at 4 ℃. The supernatant was transferred to a fresh glass vial for analysis. The quality control (QC) sample was prepared by mixing an equal aliquot of the supernatant of samples.Non-targeted metabolomics sequencing of cardiac tissue with or without high-valine diet.University-town Hospital of Chongqing Medical UniversityHongyu KuangLeft ventricular tissuesmass spectrometry assay100 μL of sample was taken, mixed with 400 μL of extraction solution(MeOH:ACN, 1:1 (v/v)), the extraction solution contain deuterated internalstandards, the mixed solution were vortexed for 30 s, sonicated for 10 min in 4 ℃ water bath, and incubated for 1 h at -40 ℃ to precipitate proteins. Thenthe samples were centrifuged at 12000 rpm (RCF=13800(×g),R= 8.6cm) for 15 min at 4 ℃. The supernatant was transferred to a fresh glass vial foranalysis. The quality control (QC) sample was prepared by mixing an equal aliquot of the supernatant of samples.hearthttps://www.ebi.ac.uk/metabolights/MTBLS15818Hongyu Kuang. University-town Hospital of Chongqing Medical University. kuanghy12123@163.com.The raw data were converted to the mzXML format using ProteoWizard and processed with an in-house program. which was developed using R andbased on XCMS, for feature detection, extraction, alignment, and integration. Metabolite annotation from knowns to unknowns through knowledgeguided multi-layer metabolic networkingValinekuanghy12123@163.comThe samples were obtained from hypertensive animals with or without high-valine dietMetabolomicsThermo Scientific Vanquish UHPLC SystemMetabolomicsuntargeted analysisOrbitrap Exploris 120cardiac hypertrophyLeft ventricular tissuesultra liquid chromatography-mass spectrometryheartOrbitrap ExplorisThermo Scientific Vanquish UHPLC SystemMetabolomicsuntargeted analysisOrbitrap Exploris 120cardiac hypertrophyLeft ventricular tissuesultra liquid chromatography-mass spectrometryheartOrbitrap ExplorisFor polar metabolites, LC-MS/MS analyses were performed using an UHPLC system (Vanquish, Thermo Fisher Scientific) with a Waters ACQUITYUPLC BEH Amide (2.1 mm × 50 mm, 1.7 μm) coupled to Orbitrap Exploris 120 mass spectrometer (Orbitrap MS, Thermo). The mobile phase consisted of 25 mmol/L ammonium acetate and 25 ammonia hydroxide in water and acetonitrile. The auto-sampler temperature was 4 ℃, andthe injection volume was 2 μL. The Orbitrap Exploris 120 mass spectrometer was used for its ability to acquire MS/MS spectra on information-dependent acquisition (IDA) mode in the control of the acquisition software (Xcalibur,Thermo). In this mode, the acquisition software continuously evaluates the full scan MS spectrum. The ESI source conditions were set as following: sheath gas flow rate as 50 Arb, Aux gas flow rate as 15 Arb, capillary temperature 320 ℃, full MS resolution as 60000, MS/MS resolution as 15000, collision energy: SNCE 20/30/40, spray voltage as 3.8 kV (positive) or -3.4 kV (negative), respectively.falseNon-targeted metabolomics sequencing of cardiac tissue with or without high-valine dietNon-targeted metabolomics revealed that a high-valine diet affected amino acid synthesis, biometabolism, and glycolipid metabolism in cardiac tissue from hypertensive animal model.2026-09-262026-09-26MTBLS15818