NMR-based metabolomic analysis

Elucidation of the chemical composition of biological samples is a main focus of systems biology and metabolomics. Because nuclear magnetic resonance (NMR) spectroscopy is a rich source of molecular information, it has a unique potential for this task.

NMR-based metabolomics steps

NMR-based metabolomics workflow

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NMR-based metabolomics workflow schema

Most recent bioinformatics tools

PRIMe
Dataset

PRIMe Platform for RIKEN Metabolomics

Allows to search and analyze ranging from metabolomics to transcriptomics.…

Allows to search and analyze ranging from metabolomics to transcriptomics. PRIMe represents a web service which measures standard metabolites by means of multi-dimensional nuclear magnetic resonance…

NMRShiftDB
Dataset

NMRShiftDB

Stores 2D and 3D organic structures and their nuclear magnetic resonance (NMR)…

Stores 2D and 3D organic structures and their nuclear magnetic resonance (NMR) spectra. NMRShiftDB is an open-access, open-submission, open-source database. It allows to search spectra, structures…

dataChord…
Desktop

dataChord Spectrum Analyst

Provides a rapid workflow from raw Nuclear Magnetic Resonance (NMR) data to…

Provides a rapid workflow from raw Nuclear Magnetic Resonance (NMR) data to patent and publication quality output. dataChord Spectrum Analyst is a graphic application for small molecule NMR Analysis…

NMRViewJ
Desktop

NMRViewJ

Permits users to view and analyze processed Nuclear Magnetic Resonance (NMR)…

Permits users to view and analyze processed Nuclear Magnetic Resonance (NMR) data in multiple, canvas windows with correlated crosshairs and rich annotations. NMRViewJ is a graphic application for…

Most popular analytical software

Metabolab
Desktop

Metabolab

Facilitates Nuclear Magnetic Resonance (NMR) data processing by providing…

Facilitates Nuclear Magnetic Resonance (NMR) data processing by providing automated algorithms for processing series of spectra in a reproducible fashion. MetaboLab provides an intuitive software for…

CAVER
Desktop

CAVER

Provides rapid, accurate and fully automated calculation of tunnels and…

Provides rapid, accurate and fully automated calculation of tunnels and channels in static structures. The molecules amendable to analysis of CAVER include proteins, nucleic acids or inorganic…

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