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baitmet (version 1.0.1)

Library Driven Compound Profiling in Gas Chromatography - Mass Spectrometry Data

Description

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.

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Install

install.packages('baitmet')

Monthly Downloads

26

Version

1.0.1

License

GPL (>= 2)

Last Published

May 31st, 2017

Functions in baitmet (1.0.1)

computeRI

Retetion Index computation
decBaitMet

Library-driven deconvolution of compounds by BaitMet
setChrmMethod

Sets the chromatographic method to be used
subSetLib

Creation of a subset MS library
quantSM

Quantification of selective masses
setBaitPar

Set BaitMet Software Parameters
mzList

MZ list
plotMZ

Plotting compounds selected masses