Library: Extracted compound information from an MSL library.

In SIMAT: GC-SIM-MS data processing and alaysis tool

Description

The information in this data set, was obtained by using readMSL function. It includes a variable called Library which contains compound names, their retention time and retention index, the mass and the intensity of the fragments in the spectrum of each compound.

Usage

data(Library)

Format

A list with the same number of observations on the following 5 variables:

rt

a numeric vector of retention times of the compounds.

ri

a numeric vector of retention indexes of the compounds.

compound

a character vector of name of the compounds.

ms

a list of numeric vectors of mass of fragments for each compound.

sp

a list of numeric vectors of intensity of fragments for each compound.

Details

This is the compound information extracted from an MSL file. It was obtained by using readMSL function. This library is provided as an example to be used for functions in the package.

Value

A list

References

http://omics.georgetown.edu/SIMAT.html

Examples

    data(Library)

SIMAT documentation built on Nov. 8, 2020, 8:27 p.m.