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MSbox (version 0.1.0)

Mass Spectrometry Tools

Description

Common mass spectrometry tools described in John Roboz (2013) . It allows checking element isotopes, calculating exact monoisitopic mass, m/z values and mass accuracy, inspecting possible contaminant mass peaks, examining possible adducts in electrospray ionization (ESI) and matrix-assisted laser desorption ionization (MALDI) ion sources, and calculating chemical similarities.

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Version

Install

install.packages('MSbox')

Monthly Downloads

282

Version

0.1.0

License

GPL-2

Maintainer

Yonghui Dong

Last Published

August 28th, 2017

Functions in MSbox (0.1.0)

E_iso

Element isotopes
M_mass

molecular mass
tanimoto

tanimoto similarity
adduct

Common adducts
contam

Contaminants in MS
mz

accurate ion mass
ppm

mass accuracy