NMR spectra and databases for NMR-based metabolomic analysis.

MMCD
Dataset

MMCD Madison-Qingdao Metabolomics Consortium Database

Supports high-throughput NMR and MS approaches to the identification and…

Supports high-throughput NMR and MS approaches to the identification and quantification of metabolites present in biological samples.

BMRB
Dataset

BMRB Biological Magnetic Resonance Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic…

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules.

TOCCATA
Web

TOCCATA

Allows the identification of metabolites in the submillimolar concentration…

Allows the identification of metabolites in the submillimolar concentration range from (13)C-(13)C total correlation spectroscopy experiments of complex mixtures.

NMRShiftDB
Web

NMRShiftDB

A NMR database (web database) for organic structures and their nuclear magnetic…

A NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra.

nmrstarlib
Desktop

nmrstarlib

Facilitates reading and writing Nuclear Magnetic Resonance (NMR)-STAR formatted…

Facilitates reading and writing Nuclear Magnetic Resonance (NMR)-STAR formatted files used by the Biological Magnetic Resonance Data Bank (BMRB) for archival of (NMR) data. The nmrstarlib package…

TMDB
Dataset

TMDB Tea Metabolome database

A freely available electronic database containing detailed information about…

A freely available electronic database containing detailed information about small molecular metabolites found in tea including from different parts of tea plant and different tea products. It is…

MDL
Web

MDL NMR Metabolomics Database of Linkoping

This is an on-line database and publically accessible depository that is…

This is an on-line database and publically accessible depository that is dedicated to the omics of small biomolecules.

BML-NMR
Dataset

BML-NMR Birmingham Metabolite Library

A collection of 3328 experimental 1D and 2D J-resolved NMR spectra of 208…

A collection of 3328 experimental 1D and 2D J-resolved NMR spectra of 208 metabolite standards.

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