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The Chemical Translation Service--a web-based tool to improve standardization of metabolomic reportsSeven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometryRetention projection enables accurate calculation of liquid chromatographic retention times across labs and methodsMINEs: open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomicsMS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysisFiehnLib: Mass Spectral and Retention Index Libraries for Metabolomics Based on Quadrupole and Time-of-Flight Gas Chromatography/Mass SpectrometrySoftware platform virtualization in chemistry research and university teaching.An in silico MS/MS library for automatic annotation of novel FAHFA lipidsHow Large Is the Metabolome? A Critical Analysis of Data Exchange Practices in ChemistryPharmacogenetics meets metabolomics: discovery of tryptophan as a new endogenous OCT2 substrate related to metformin dispositionInduced pluripotent stem cells show metabolomic differences to embryonic stem cells in polyunsaturated phosphatidylcholines and primary metabolismLipidomic Analysis of Chlamydomonas reinhardtii under Nitrogen and Sulfur DeprivationAdvances in structure elucidation of small molecules using mass spectrometryHydrocarbon phenotyping of algal species using pyrolysis-gas chromatography mass spectrometryCritical Assessment of Small Molecule Identification 2016: automated methods.Identification of small molecules using accurate mass MS/MS searchMetabolomic database annotations via query of elemental compositions: mass accuracy is insufficient even at less than 1 ppmDetermination of elemental compositions by gas chromatography/time-of-flight mass spectrometry using chemical and electron ionization.Applying in-silico retention index and mass spectra matching for identification of unknown metabolites in accurate mass GC-TOF mass spectrometryMetaMapp: mapping and visualizing metabolomic data by integrating information from biochemical pathways and chemical and mass spectral similarity.Identification of naturally occurring fatty acids of the myelin sheath that resolve neuroinflammation.LipidBlast in silico tandem mass spectrometry database for lipid identification.Exploration of polar lipid accumulation profiles in Euglena gracilis using LipidBlast, an MS/MS spectral library constructed in silico.MS2Analyzer: A software for small molecule substructure annotations from accurate tandem mass spectraLipidBlast templates as flexible tools for creating new in-silico tandem mass spectral libraries.Role of squalene in the organization of monolayers derived from lipid extracts of Halobacterium salinarum.A Large and Phylogenetically Diverse Class of Type 1 Opsins Lacking a Canonical Retinal Binding SiteHydrogen Rearrangement Rules: Computational MS/MS Fragmentation and Structure Elucidation Using MS-FINDER Software.Changes in plasma metabolites and glucose homeostasis during omega-3 polyunsaturated fatty acid supplementation in women with polycystic ovary syndrome.Metabolite profiling of human colon carcinoma--deregulation of TCA cycle and amino acid turnoverQualitative analysis of algal secretions with multiple mass spectrometric platformsInterstitial Cystitis-Associated Urinary Metabolites Identified by Mass-Spectrometry Based Metabolomics AnalysisQuality control for plant metabolomics: reporting MSI-compliant studies.Prognostic impact of AMP-activated protein kinase expression in ovarian carcinoma: correlation of protein expression and GC/TOF-MS-based metabolomics.Ultrafast Polyphenol Metabolomics of Red Wines Using MicroLC-MS/MS.A comprehensive urinary metabolomic approach for identifying kidney cancerr.Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy.Polychlorinated naphthalenes in sediments from the industrial region of Bitterfeld.Sequential fractionation procedure for the identification of potentially cytochrome P4501A-inducing compounds.What are the obstacles for an integrated system for comprehensive interpretation of cross-platform metabolic profile data?
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P1960
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2000-01-01T00:00:00Z