2023
Urinary Paraben Concentrations and Associations with the Periconceptional Urinary Metabolome: Untargeted and Targeted Metabolomics Analyses of Participants from the Early Pregnancy Study
Vollmar A, Rattray N, Cai Y, Jain A, Yan H, Deziel N, Calafat A, Wilcox A, Jukic A, Johnson C. Urinary Paraben Concentrations and Associations with the Periconceptional Urinary Metabolome: Untargeted and Targeted Metabolomics Analyses of Participants from the Early Pregnancy Study. Environmental Health Perspectives 2023, 131: 097006. PMID: 37702489, PMCID: PMC10498870, DOI: 10.1289/ehp12125.Peer-Reviewed Original ResearchConceptsUrinary paraben concentrationsDiet-related metabolitesEarly Pregnancy StudyUrinary metabolomePregnancy StudyParaben concentrationsReproductive functionMultivariable linear regressionFemale reproductive functionDietary exposure assessmentUltrahigh-performance liquid chromatography-quadrupole timeMetabolomic analysisParaben exposureProspective cohortLiquid chromatography-quadrupole timeOrthogonal partial least squares discriminant analysisPericonceptional periodPotential confoundersUrinary concentrationsMetabolomic markersNutritional epidemiologyUnivariate statistical analysisExposure informationCritical windowUrine samples
2013
Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database
Zhu ZJ, Schultz AW, Wang J, Johnson CH, Yannone SM, Patti GJ, Siuzdak G. Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database. Nature Protocols 2013, 8: 451-460. PMID: 23391889, PMCID: PMC3666335, DOI: 10.1038/nprot.2013.004.Peer-Reviewed Original ResearchConceptsLiquid chromatography-quadrupole timeProfiling experimentsMETLIN metabolite databaseMore populationsSeven-step protocolFlight mass spectrometry characterizationMost biological samplesFlight mass spectrometryMass spectrometry characterizationTandem MSMetabolomic featuresQuadrupole timeComprehensive platformUntargeted metabolomicsMass spectrometryMS dataMETLIN databaseLC-Q-TOFMetabolitesMetabolite databasesBiological samplesThousands of peaks