SMfinder: Small Molecules Finder for Metabolomics
and Lipidomics Analysis
Posted on 2020-06-16 - 19:42
Metabolomics and
lipidomics studies are becoming increasingly popular
but available tools for automated data analysis are still limited.
The major issue in untargeted metabolomics is linked to the lack of
efficient ranking methods allowing accurate identification of metabolites.
Herein, we provide a user-friendly open-source software, named SMfinder,
for the robust identification and quantification of small molecules.
The software introduces an MS2 false discovery rate approach, which
is based on single spectral permutation and increases identification
accuracy. SMfinder can be efficiently applied to shotgun and targeted
analysis in metabolomics and lipidomics without requiring extensive
in-house acquisition of standards as it provides accurate identification
by using available MS2 libraries in instrument independent manner.
The software, downloadable at www.ifom.eu/SMfinder, is suitable for untargeted, targeted,
and flux analysis.
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Martano, Giuseppe; Leone, Michele; D’Oro, Pierluca; Matafora, Vittoria; Cattaneo, Angela; Masseroli, Marco; et al. (2020). SMfinder: Small Molecules Finder for Metabolomics
and Lipidomics Analysis. ACS Publications. Collection. https://doi.org/10.1021/acs.analchem.0c00585
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AUTHORS (7)
GM
Giuseppe Martano
ML
Michele Leone
PD
Pierluca D’Oro
VM
Vittoria Matafora
AC
Angela Cattaneo
MM
Marco Masseroli
AB
Angela Bachi