title: Emerging new strategies for successful metabolite identification in metabolomics.
abstract: This review discusses strategies for the identification of metabolites in complex biological mixtures, as encountered in metabolomics, which have emerged in the recent past. These include NMR database-assisted approaches for the identification of commonly known metabolites as well as novel combinations of NMR and MS analysis methods for the identification of unknown metabolites. The use of certain chemical additives to the NMR tube can permit identification of metabolites with specific physical chemical properties.
authors.affiliation: Pacific Northwest National Laboratory, Richland, WA 99352, USA.
authors.forename: Kerem
authors.initials: K
authors.lastname: Bingol
authors.affiliation: Campus Chemical Instrument Center, The Ohio State University, Columbus, OH 43210, USA.
authors.forename: Lei
authors.initials: L
authors.lastname: Bruschweiler-Li
authors.affiliation: Campus Chemical Instrument Center, The Ohio State University, Columbus, OH 43210, USA.
authors.forename: Dawei
authors.initials: D
authors.lastname: Li
authors.affiliation: Department of Chemistry & Biochemistry, The Ohio State University, Columbus, OH 43210, USA.
authors.forename: Bo
authors.initials: B
authors.lastname: Zhang
authors.affiliation: Department of Chemistry & Biochemistry, The Ohio State University, Columbus, OH 43210, USA.
authors.forename: Mouzhe
authors.initials: M
authors.lastname: Xie
authors.affiliation: Campus Chemical Instrument Center, The Ohio State University, Columbus, OH 43210, USA.|Department of Chemistry & Biochemistry, The Ohio State University, Columbus, OH 43210, USA.|Department of Biological Chemistry & Pharmacology, The Ohio State University, Columbus, OH 43210, USA.
authors.forename: Rafael
authors.initials: R
authors.lastname: Brüschweiler
mesh_terms: D016208:Databases, Factual; D009682:Magnetic Resonance Spectroscopy; D013058:Mass Spectrometry; D055442:Metabolome; D055432:Metabolomics; D004364:Pharmaceutical Preparations / Q000378:metabolism*; D050337:Trimethyl Ammonium Compounds / Q000032:analysis / Q000378:metabolism
chemical_list: D004364:Pharmaceutical Preparations; D050337:Trimethyl Ammonium Compounds; C522723:cholamine
keywords: MS of metabolite mixtures; NMR of metabolite mixtures; complex mixture analysis; metabolite databases; metabolomics; nanoparticle-assisted metabolomics; paramagnetic relaxation enhancement