compMS2Miner: compMS2Miner: a package to identify/ visualize unknowns in...
In WMBEdmands/compMS2Miner: an automatable metabolite identification, visualization and data-sharing R package for high-resolution LC-MS datasets
Description
Matches MS1 features to MS2 spectra (.mzXML) files based on a
mass-to-charge and retention time tolerance. Composite spectra and other data
can subsequently be visualized during any stage of the compMS2Miner
processing workflow. Composite spectra can be denoised, ion signals grouped
and summed, substructure groups identified, common Phase II metabolites
predicted and features matched to data bases monoisotopic mass data
and insilico MS2 fragmentation data.
The resulting data can then be readily curated by sending to a local or online
couchDB database.
Details
An example workflow is available in the following vignette:
compMS2MinerWorkFlow (source, pdf)
Author(s)
WMB Edmands edmandsw@berkeley.edu
WMBEdmands/compMS2Miner documentation built on May 9, 2019, 10:04 p.m.
R Package Documentation
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We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
Description
Matches MS1 features to MS2 spectra (.mzXML) files based on a mass-to-charge and retention time tolerance. Composite spectra and other data can subsequently be visualized during any stage of the compMS2Miner processing workflow. Composite spectra can be denoised, ion signals grouped and summed, substructure groups identified, common Phase II metabolites predicted and features matched to data bases monoisotopic mass data and insilico MS2 fragmentation data. The resulting data can then be readily curated by sending to a local or online couchDB database.
Details
An example workflow is available in the following vignette: compMS2MinerWorkFlow (source, pdf)
Author(s)
WMB Edmands edmandsw@berkeley.edu
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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