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baitmet: Library Driven Compound Profiling in Gas Chromatography - Mass Spectrometry Data
Automated quantification of metabolites by targeting mass spectral/retention time libraries into full scan-acquired gas chromatography - mass spectrometry (GC-MS) chromatograms. Baitmet outputs a table with compounds name, spectral matching score, retention index error, and compounds area in each sample. Baitmet can automatically determine the compounds retention indexes with or without co-injection of internal standards with samples.
Getting started
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Package details |
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| Author | Xavier Domingo-Almenara, Jesus Brezmes, Gabriela Venturini, Gabriel Vivo-Truyols, Alexandre Perera-Lluna, Maria Vinaixa. |
| Maintainer | Xavier Domingo-Almenara <xdomingo@scripps.edu> |
| License | GPL (>= 2) |
| Version | 1.0.1 |
| URL | http://metabolomicsplatform.com/ |
| Package repository | View on CRAN |
| Installation |
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