Automated compound deconvolution, alignment across samples, and identification of metabolites by spectral library matching in Gas Chromatography - Mass spectrometry (GC-MS) untargeted metabolomics. Outputs a table with compound names, matching scores and the integrated area of the compound for each sample.
|Author||Xavier Domingo-Almenara, Sara Samino, Maria Vinaixa, Alexandre Perera, Oscar Yanes|
|Date of publication||2017-01-14 01:53:04|
|Maintainer||Xavier Domingo-Almenara <firstname.lastname@example.org>|
|License||GPL (>= 2)|
|Package repository||View on CRAN|
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