MS-DIAL: Data Independent MS/MS Deconvolution for Comprehensive Metabolome Analysis
By H. Tsugawa, T. Cajka, Tobias Kind, Yan Ma, Brendan D. Higgins, K. Ikeda, Mitsuhiro Kanazawa, J. VanderGheynst, Oliver Fiehn, Masanori Arita. Nature Methods, 2015
2,851 citations recorded by the source corpus.
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.
Subfields: Ecology, Molecular Biology, Spectroscopy
View Paper: https://www.semanticscholar.org/paper/67662d2bca3005f5e52632a2b61caf5d825caaa4
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Ecology
- I. Blaženović
- Jian Ji
- Tobias Kind
- Oliver Fiehn
- Jianguo Xia
- David S. Wishart
- Jasmine Chong
- Sebastian Böcker
In Molecular Biology
- Jianguo Xia
- David S. Wishart
- Jasmine Chong
- Guangyan Zhou
- Tobias Kind
- Oliver Fiehn
- Zhiqiang Pang
- I. Blaženović
In Spectroscopy
- David S. Wishart
- Jianguo Xia
- Jasmine Chong
- Guangyan Zhou
- Zhiqiang Pang
- Oliver Fiehn
- Tobias Kind
- I. Blaženović
Citations in the corpus
- Cannabinoids and Terpenes as Chemotaxonomic markers in Cannabis (2015, neutral): “and is available for free [16] (http://prime.”
- Using MetaboAnalyst 3.0 for Comprehensive Metabolomics Data Analysis (2016, background): “…step can be done by any number of locally installable, freely available MS spectral processing tools such as MetAlign (Lommen, 2009), OpenMS (Sturm et al., 2008), MZmine (Katajamaa et al., 2006), XCMS (Smith et al., 2006), XCMS-Online (Tautenhahn et al., 2012), and MS-DIAL (Tsugawa et al., 2015).”
- MetaboAnalyst 6.0: towards a unified platform for metabolomics data processing, analysis and interpretation (2024, methodology): “DDA data usually have clear associations between the precursor ions and the corresponding MS2 spectra, while DIA data generally require deconvolution of the MS2 data to reconstruct associations with their precursor ions ( 13 ).”
- Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics (2019, neutral): “in, method = “centWave”, ppm = 15, snthr = 10, peakwidth = c(5, 40), mzdiff = 0.”
- Using MetaboAnalyst 4.0 for Comprehensive and Integrative Metabolomics Data Analysis (2019, methodology): “MS-DIAL: Data-independent MS/MS deconvolution for comprehensive metabolome analysis.”
- Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics (2018, methodology): “That includes freely available search algorithms such as the NIST MS Search GUI (graphical user interface), NIST MS PepSearch or MS-DIAL [58].”