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NMR spectra and databases (NMR-based metabolomic analysis)

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.

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…

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.

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…

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…

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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