Metabolomics Metabolic Metabolite Metabolome Small molecule Profiling Metabonomics Databank Database Library Resource Query Search Assign Assignment Annotate Annotation Identify Identification Elucidate Elucidation Customized Algorithm Software NMR Nuclear Magnetic Resonance Spectroscopy Chemical Shift 1H 13C HSQC TOCSY HSQC-TOCSY COSY HMBC CT-TOCSY 1D 2D Dimension One dimensional Two dimensional Covariance DemixC NMR-based Mass spectrometry MS Accurate Mass Structure Reference Platform Carbon Proton Qualitative Bank Biomarker Bioinformatics Natural Product Bruker Varian Complex Mixture Analysis Targeted Untargeted Spectrum Spectra