neutral_losses: neutral_losses

Description Usage Format Details Source References Examples

Description

A data table defining neutral losses in GC-APCI-MS for silylated compounds.

Usage

1
data("neutral_losses")

Format

A data frame with 22 observations on the following 3 variables.

Name

a character vector

Formula

a character vector

Mass

a numeric vector

Details

The data frame consists 2 character columns ('Name' and 'Formula') and the numeric column 'Mass'. In a mass spectrum peak pairs are analyzed for mass differences similar to the ones defined in neutral_losses. If such a mass difference is observed we can assume that the according 'Formula' is the true neutral loss observed in this spectrum. In a plot this peak pair would be connected by a grey line and annotated with the information from 'Name'.

Source

This list has been put together mnually by Jan Lisec analyzing several GC-APCI-MS data sets.

References

See published paper in $$

Examples

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2

InterpretMSSpectrum documentation built on May 2, 2019, 11:05 a.m.