enviPat (version 2.1)

isotopes: Stable isotopes

Description

Dataframe with stable isotopes.

Usage

data(isotopes)

Format

A data frame with 302 observations on the following 4 variables.

element

Chemical element

isotope

Stable isotopes of an element

mass

Relative atomic mass

abundance

Isotopic composition of an element

ratioC

Maximum number of atoms of an element for one C-atom in a molecule, based on 99.99 % of case molecules.

Source

http://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl

Details

The ratioC-value stems from a database survey conducted by Kind&Fiehn (2007); to disable, set value to 0. The list serves as input into several package nontarget-functions. The first column of the data frame also contains names of specific isotopes used for labeled compounds.

References

Kind, T. and Fiehn, O., 2007. Seven golden rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry. BMC Bioinformatics, 8:105.

Examples

data(isotopes)