Tandem mass spectral library search (MS/MS) is the fastest way to correctly annotate MS/MS
spectra from screening small molecules in fields such as environmental analysis, drug …

In the past decade, advances in liquid chromatography‐mass spectrometry (LC‐MS) have
revolutionized untargeted metabolomics analyses. By mining metabolomes more deeply …

Metabolite identification for untargeted metabolomics is often hampered by the lack of
experimentally collected reference spectra from tandem mass spectrometry (MS/MS). To …

The life sciences are currently being transformed by an unprecedented wave of
developments in molecular analysis, which include important advances in instrumental …

The remarkable diversity of specialized metabolites produced by plants has inspired several
decades of research and nucleated a long list of theories to guide empirical ecological …

Untargeted metabolomic measurements using mass spectrometry are a powerful tool for
uncovering new small molecules with environmental and biological importance. The small …

Metabolite identification is still considered an imposing bottleneck in liquid chromatography
mass spectrometry (LC/MS) untargeted metabolomics. The identification workflow usually …

Computational metabolite annotation in untargeted profiling aims at uncovering neutral
molecular masses of underlying metabolites and assign those with putative identities …

Identification of the metabolites is an essential step in metabolomics study to interpret the
regulatory mechanism of pathological and physiological processes. However, it is still …

Abstract CEU Mass Mediator (CMM) is an on-line tool for aiding researchers when
performing metabolite annotation. Its database is comprised of 279,318 real compounds …