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10.3390/metabo8010008 http://scihub22266oqcxt.onion/10.3390/metabo8010008 C5875998!5875998!29342073     free     free     free Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 243.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Metabolites 2018 ; 8 (1): ä Nephropedia Template TP {{tp|p=29342073|t=2018. Structure Elucidation of Unknown Metabolites in Metabolomics by Combined NMR and MS/MS Prediction |pdf=|usr=}}{{29342073}} gab.com Text Structure Elucidation of Unknown Metabolites in Metabolomics by Combined NMR and MS/MS Prediction JO: Metabolites http://www.kidney.de/pget.php?&tw=1&pmid=29342073 #FOAvip We introduce a cheminformatics approach that combines highly selective and orthogonal structure elucidation parameters; accurate mass, MS/MS (MS2), and NMR into a single analysis platform to accurately identify unknown metabolites in untargeted studies. The approach starts with an unknown LC-MS feature, and then combines the experimental MS/MS and NMR information of the unknown to effectively filter out the false positive candidate structures based on their predicted MS/MS and NMR spectra. We demonstrate the approach on a model mixture, and then we identify an uncatalogued secondary metabolite in Arabidopsis thaliana. The NMR/MS2 approach is well suited to the discovery of new metabolites in plant extracts, microbes, soils, dissolved organic matter, food extracts, biofuels, and biomedical samples, facilitating the identification of metabolites that are not present in experimental NMR and MS metabolomics databases. Twit Text FOAVip Structure Elucidation of Unknown Metabolites in Metabolomics by Combined NMR and MS/MS Prediction ????Metabolites http://www.kidney.de/pget.php?&tw=1&pmid=29342073 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=29342073 #FOAvip English Wikipedia <ref>{{Cite pmid|29342073}}</ref> Structure Elucidation of Unknown Metabolites in Metabolomics by Combined NMR and MS/MS Prediction #MMPMID29342073 Boiteau RM; Hoyt DW; Nicora CD; Kinmonth-Schultz HA; Ward JK; Bingol K Metabolites 2018[Mar]; 8 (1): ä PMID29342073show ga We introduce a cheminformatics approach that combines highly selective and orthogonal structure elucidation parameters; accurate mass, MS/MS (MS2), and NMR into a single analysis platform to accurately identify unknown metabolites in untargeted studies. The approach starts with an unknown LC-MS feature, and then combines the experimental MS/MS and NMR information of the unknown to effectively filter out the false positive candidate structures based on their predicted MS/MS and NMR spectra. We demonstrate the approach on a model mixture, and then we identify an uncatalogued secondary metabolite in Arabidopsis thaliana. The NMR/MS2 approach is well suited to the discovery of new metabolites in plant extracts, microbes, soils, dissolved organic matter, food extracts, biofuels, and biomedical samples, facilitating the identification of metabolites that are not present in experimental NMR and MS metabolomics databases. äStructure Elucidation of Unknown Metabolites in Metabolomics by Combin(epmc).pdf DeepDyve Pubget Overpricing