MetaboLights

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ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/m_MTBLS15429_LC-MS_negative_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/s_MTBLS15429.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/a_MTBLS15429_LC-MS_negative_reverse-phase.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC10.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD14.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD11.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC7.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC13.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC4.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC16.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD18.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC8.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC19.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD20.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD8.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD5.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD17.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC9.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC18.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD16.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD19.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD4.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC20.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC15.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC5.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD12.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC12.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD7.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD15.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD6.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD10.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC14.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD3.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD13.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC6.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC11.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/PD9.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC3.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429/FILES/DERIVED_FILES/HC17.mzMLprimary200OKftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15429Bile acids were identified by matching chromatographic retention times and predefined precursor-to-product ion MRM transitions against authentic reference standards and the MWDB reference database. Identification was supported by analyte-specific retention times, precursor ion masses, product ion masses, and optimized collision parameters. Quantification was performed using isotope-labeled internal standards and analyte-specific calibration curves. Internal-standard-normalized peak area ratios were used to calculate bile acid concentrations in ng/mL.MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseChromatographic separation was performed using a SCIEX ExionLC AD UHPLC system equipped with a Waters ACQUITY UPLC HSS T3 C18 column (100 mm x 2.1 mm, 1.8 um). Mobile phase A consisted of water containing 0.01% acetic acid and 5 mM ammonium acetate, and mobile phase B consisted of acetonitrile containing 0.01% acetic acid. The flow rate was 0.35 mL/min, the column temperature was 40 C, and the injection volume was 3 uL. The gradient was programmed from 5% B at 0 min to 40% B at 1 min, 50% B at 7 min, 75% B at 12 min, and 95% B at 14 min. The mobile phase was returned to 5% B at 16 min for column re-equilibration.Microbiota-regulated TCDCA associates with Parkinson’s disease severity and promotes BBB dysfunction through VSMC TGR5 signaling in mice.Peking University Third HospitalZhe Zhaoblood plasmamass spectrometry assayFor each sample, 50 uL of plasma was mixed with 2.5 uL of an isotope-labeled internal standard mixture at 10 ug/mL and 197.5 uL of methanol/acetonitrile (2:8, v/v). Samples were vortexed at 2500 rpm for 10 min and incubated at -20 C for 10 min to precipitate proteins. The samples were then centrifuged at 12000 rpm and 4 C for 10 min. The supernatant was passed through a protein precipitation plate and transferred for LC-MS/MS analysis. No derivatization was performed.Homo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS15429Zhe Zhao. Peking University Third Hospital. zhaoz2017@sina.com.Vendor mass spectrometry data were converted to the open mzML format using ProteoWizard version 3.0.24054. Chromatographic peaks corresponding to the predefined MRM transitions were integrated and reviewed using MultiQuant version 3.0.3. Peak area ratios were normalized to the corresponding isotope-labeled internal standards and converted to bile acid concentrations using analyte-specific calibration curves. The resulting quantitative data matrix was reported in ng/mL for each sample.Disease statuszhaoz2017@sina.comPlasma samples were obtained from 20 patients with Parkinson's disease and 20 healthy controls. Each sample was assigned a unique anonymized identifier. The collected plasma samples were used for targeted bile acid quantification by LC-MS/MS.MetabolomicsMetabolomicsMultiQuanttargeted analysisSCIEX QTRAP 6500+ LC-MS/MS systemblood plasmaExionLC™ AD UHPLC‑QTRAP® 6500+ (SCIEX)Parkinson diseaseHomo sapiensSCIEX ExionLC AD UHPLC systemexperimental sampleMetabolomicsMultiQuanttargeted analysisSCIEX QTRAP 6500+ LC-MS/MS systemblood plasmaExionLC™ AD UHPLC‑QTRAP® 6500+ (SCIEX)Parkinson diseaseHomo sapiensSCIEX ExionLC AD UHPLC systemexperimental sampleMass spectrometric detection was performed using a SCIEX QTRAP 6500+ triple quadrupole-linear ion trap mass spectrometer equipped with an electrospray ionization source. The instrument was operated in negative ion mode using scheduled multiple reaction monitoring. The ion source temperature was 550 C, the ion spray voltage was -4500 V, and the curtain gas pressure was 35 psi. Analyte-specific precursor and product ion transitions were monitored using optimized declustering potential and collision energy settings. Data acquisition was performed using Analyst version 1.6.3, and peak integration and quantification were performed using MultiQuant version 3.0.3.cholic acidapocholic acid7-ketolithocholic acidUrsocholic acidTauroursodeoxycholic acid12-ketolithocholic acidDehydrocholic acidGlycocholic acidGlycochenodeoxycholic Acid 3 Sulfate Disodium SaltLithocholic acidIsoallolithocholic acidUrsodeoxycholic acidGlycoursodeoxycholic Acid 3 Sulfate Sodium3-Oxocholic acidlithocholic acid-3-sulfateα-muricholic acidChenodeoxycholic acid-3-β-D-glucuronidetaurolithocholic acid-3-sulfateTaurocholic acidω-muricholic acidIsodeoxycholic acidtaurolithocholic acidTaurohyocholic acidisolithocholic acidglycolithocholic acid-3-sulfate3β-deoxycholic acidTaurochenodeoxycholic acidChenodeoxycholic acidLithocholic Acid 3-O-Glucuronide7-Ketodeoxycholic acidβ-Hyodeoxycholic Acidhyocholic acidTaurodeoxycholic acidallocholic acid3β-hydroxychol-5-en-24-oic acidTauro-β-muricholic acidcholic acid 7 sulfate3-oxochenodeoxycholic acid3β-Cholic Acid12-Oxochenodeoxycholic acidGlycoursodeoxycholic acidCholic Acid 3-O-b-Glucuronide Disodium SaltGlycochenodeoxycholic acid5α-CHOLANIC ACID-3α-OLHyodeoxycholic acidDeoxycholic acid3-oxodeoxycholic acidmurideoxycholic acidGlycolithocholic acidGlycodeoxycholic acidIsochenodeoxycholic Acidβ-muricholic acidTaurocholic Acid 3 sulfate sodium saltTrihydroxycholestanoic Acid3β-Ursodeoxycholic AcidfalseTargeted Bile Acid Metabolomic Profiling of Plasma Samples in Patients with Parkinson's DiseaseTargeted LC-MS metabolomic profiling was performed on plasma samples from a validation cohort comprising 20 patients with Parkinson's disease and 20 healthy controls. The study aimed to verify altered circulating bile acid levels identified in the discovery cohort, assess correlations between bile acid concentrations and clinical disease severity, and explore links between plasma taurochenodeoxycholic acid (TCDCA) and gut microbial bile salt hydrolase (BSH) gene abundance.2026-09-032026-08-22MTBLS15429HMDB00686HMDB00708HMDB00637HMDB00138HMDB02430HMDB00761HMDB00717HMDB0000361HMDB00946HMDB0002409HMDB00951HMDB00626HMDB00518HMDB00619HMDB0002496HMDB00036HMDB00760HMDB0000308HMDB62742HMDB00631HMDB02580HMDB02639HMDB00896HMDB00438HMDB00467HMDB0000907HMDB00698HMDB00874HMDB00391HMDB00400HMDB00415HMDB00419HMDB0002421HMDB00328HMDB00722HMDB0000733HMDB0002513HMDB11637HMDB00664HMDB0000503HMDB00811HMDB02581HMDB00917HMDB0002577HMDB0000601HMDB00506HMDB02536HMDB00713HMDB0000505HMDB00932HMDB0000364HMDB00502