gcms1 {osd}

Data from a GC-MS experiment

Description

A data matrix from a real pure standards GC-MS experiment.

Usage

data(gcms1)

Details

Data taken from the experiment used in [1] (See references below). This data matrix includes three compounds appearing in co-elution, concretely, the appearing compounds are: nicotinic acid, isoleucine and profile. The data in gcms1 and gcms2 only comprises the m/z from 35 to 600. So the first element of the column in gcms1 corresponds to the mass m/z 35. Please, note that the fragments at m/z 73, 74, 75, 147, 148, and 149, were excluded from the analysis (have zero intensity).

Author(s)

[1] Domingo-Almenara X, et al. Compound deconvolution in GC-MS-based metabolomics by blind source separation. Journal of Chromatography A (2015). Vol. 1409: 226-233. DOI: 10.1016/j.chroma.2015.07.044

See Also

osd, gcms2, ref.spects