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Automated Spectral Deconvolution, Alignment, and Metabolite Identification in GC/MS-Based Untargeted Metabolomics

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.

Domingo-Almenara, X., Brezmes, J., Vinaixa, M., Samino, S., Ramirez, N., Ramon-Krauel, M., Lerin, C., Díaz, M., Ibáñez, L., Correig, X. and Perera-Lluna, A., 2016. eRah: a computational tool integrating spectral deconvolution and alignment with quantification and identification of metabolites in GC/MS-based metabolomics. Analytical Chemistry, 88(19), pp.9821-9829.

eRah development version. For downloads, please use CRAN


From an R console, execute:

To install this development version, execute:


Learn more

The package documentation can be browsed online at

If this is your first time using erah see the manual for information on how to get started.

If you believe you’ve found a bug in erah, please file a bug (and, if possible, a reproducible example) at