MetaboliteDetector statistics

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chevron_left Metabolite identification Data normalization Noise filtering Spectral deconvolution Peak detection Statistical analysis Metabolite quantification Spectral visualization Chromatogram alignment Statistical analysis Metabolite quantification Metabolite identification Spectral visualization Spectral deconvolution chevron_right
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MetaboliteDetector specifications


Unique identifier OMICS_09686
Name MetaboliteDetector
Software type Package/Module
Interface Graphical user interface
Restrictions to use None
Operating system Unix/Linux, Windows
Programming languages C++
License GNU General Public License version 2.0
Computer skills Medium
Stability Stable
Maintained Yes


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  • person_outline Karsten Hiller <>

Publication for MetaboliteDetector

MetaboliteDetector in publications

PMCID: 5876004
PMID: 29443915
DOI: 10.3390/metabo8010015

[…] to enable a high-throughput performance, and at the same time, maintain a sufficient chromatographic separation. due to the particular importance of data processing in this workflow, we extended our metabolitedetector software package accordingly []., we herein describe the optimization of the analytical procedure and a data analysis approach to generate accurate and highly reproducible mass […]

PMCID: 5786018
PMID: 29374187
DOI: 10.1038/s41598-018-19776-2

[…] with an agilent msd chemstation (g1701ea e.02.00.493, agilent technologies) and the abundance of each voc was calculated as the integrated peak area, expressed as counts per scan (cps), using metabolitedetector software (version 3.020151231 ra-linux). the mass spectrum deconvolution settings were: peak threshold of 4, minimum peak height of 4, deconvolution width (scans) of 5, required […]

PMCID: 5499862
PMID: 28520864
DOI: 10.1093/gigascience/gix037

[…] results for further data analysis. metaquant [] is a tool that uses a retention index to define metabolites, but it depends on other deconvolution software like amdis to extract mass spectra. both metabolitedetector [] and tagfinder [] provide an efficient pipeline to perform deconvolution, peak detection, compound identification, and alignment based on kovats retention index using alkane mix […]

PMCID: 5329063
PMID: 28275554
DOI: 10.1016/j.mex.2017.02.004

[…] at 70 ev, full scan mass spectra from m/z 70 to 700, minimum scan rate: 4 scans/s, deconvolution of mass spectra, peak picking, integration, and retention index calibration are performed using the metabolitedetector software version 2.5 or higher . compounds are identified using a mass spectral reference library., the following deconvolution settings are applied:•peak threshold: 5•minimum peak […]

PMCID: 4865890
PMID: 27168102
DOI: 10.1038/ncomms11535

[…] from m/z 70 to m/z 800. an alkane mix was run with every experimental sequence to provide retention index calibration for the experimental samples. all gc–ms chromatograms were processed using the metabolitedetector software., rna extracts were prepared using the affymetrix wt plus reagent kit (affymetrix). rna quality and quantity were assessed using a 2100 agilent bioanalyzer (agilent) […]

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MetaboliteDetector institution(s)
Department of Bioinformatics and Biochemistry, Technische Universität Braunschweig, Braunschweig, Germany

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