MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis.
Data-independent acquisition (DIA) in liquid chromatography (LC) coupled to tandem mass spectrometry (MS/MS) provides comprehensive untargeted acquisition of molecular data. We provide an open-source software pipeline, which we call MS-DIAL, for DIA-based identification and quantification of small molecules by mass spectral deconvolution. For a reversed-phase LC-MS/MS analysis of nine algal strains, MS-DIAL using an enriched LipidBlast library identified 1,023 lipid compounds, highlighting the chemotaxonomic relationships between the algal strains.
1] RIKEN Center for Sustainable Resource Science, Yokohama, Kanagawa, Japan. [2] Department of Biotechnology, Graduate School of Engineering, Osaka University, Suita, Osaka, Japan.
Hiroshi
H
Tsugawa
Genome Center, University of California Davis, Davis, California, USA.
Tomas
T
Cajka
Genome Center, University of California Davis, Davis, California, USA.
Tobias
T
Kind
Genome Center, University of California Davis, Davis, California, USA.
Yan
Y
Ma
Department of Biological and Agricultural Engineering, University of California Davis, Davis, California, USA.
Brendan
B
Higgins
1] RIKEN Center for Integrative Medical Sciences, Yokohama, Japan. [2] Japan Science and Technology Agency, Kawaguchi, Japan.
Kazutaka
K
Ikeda
Reifycs Inc., Minato-ku, Tokyo, Japan.
Mitsuhiro
M
Kanazawa
Department of Biological and Agricultural Engineering, University of California Davis, Davis, California, USA.
Jean
J
VanderGheynst
1] Genome Center, University of California Davis, Davis, California, USA. [2] Department of Biochemistry, Faculty of Sciences, King Abdulaziz University, Jeddah, Saudi Arabia.
Oliver
O
Fiehn
1] RIKEN Center for Sustainable Resource Science, Yokohama, Kanagawa, Japan. [2] National Institute of Genetics, Mishima, Japan.
Masanori
M
Arita
D000460:Chlorophyta / Q000235:genetics / Q000378:metabolism*; D002853:Chromatography, Liquid / Q000379:methods*; D018506:Gene Expression Regulation, Plant; D050356:Lipid Metabolism / Q000235:genetics / Q000502:physiology; D008055:Lipids / Q000737:chemistry; D055442:Metabolome; D012984:Software; D013045:Species Specificity; D053719:Tandem Mass Spectrometry / Q000379:methods*
D008055:Lipids