Dataset Information
Public LC-Orbitrap-MS/MS Spectral Library for Metabolite Identification
Ontology highlight
ABSTRACT: Liquid chromatography-mass spectrometry (LC-MS)-based untargeted metabolomics studies require high-quality spectral libraries for reliable metabolite identification. We have constructed EMBL-MCF (European Molecular Biology Laboratory-Metabolomics Core Facility), an open LC-MS/MS spectral library that currently contains over 1600 fragmentation spectra from 435 authentic standards of endogenous metabolites and lipids. The unique features of the library include the presence of chromatographic profiles acquired with different LC-MS methods and coverage of different adduct ions. The library covers many biologically important metabolites with some unique metabolites and lipids as compared with other public libraries. The EMBL-MCF spectral library is created and shared using an in-house-developed web application at https://curatr.mcf.embl.de/. The library is freely available online and also integrated with other mass spectral repositories.
INSTRUMENT(S): Liquid Chromatography MS - negative - reverse-phase, Liquid Chromatography MS - positive - hilic, Liquid Chromatography MS - positive - reverse-phase, Liquid Chromatography MS - negative - hilic
SUBMITTER: Prasad Phapale
PROVIDER: MTBLS1861 | MetaboLights | 2020-09-28
REPOSITORIES: MetaboLights
Publications
Public LC-Orbitrap Tandem Mass Spectral Library for Metabolite Identification.
Journal of proteome research 20210202 4
Liquid chromatography-mass spectrometry (LC-MS)-based untargeted metabolomics studies require high-quality spectral libraries for reliable metabolite identification. We have constructed EMBL-MCF (European Molecular Biology Laboratory-Metabolomics Core Facility), an open LC-MS/MS spectral library that currently contains over 1600 fragmentation spectra from 435 authentic standards of endogenous metabolites and lipids. The unique features of the library include the presence of chromatographic profi ...[more]
