MetaboList (version 2.0)

Isotopic: Preparation library Full-MS.

Description

Generates a given a library of MS1 metabolites, a list of adducts and isotopes. Adapted from R package OrgMassSpecR.

Usage

Isotopic(library, name=c("M+H"),adducts)

Arguments

library

Library of MS1 metabolites.

name

Name of the adduct to generate.

adducts

List of adducts.

References

1. R-MetaboList: a flexible tool for metabolite extraction from high-resolution data-independent acquisition mass spectrometry analysis. Metabolites. Soon

2. A Survey of Orbitrap All Ion Fragmentation Analysis Assessed by an R MetaboList Package to Study Small-Molecule Metabolites. Chromatographia. 2018, 81, 981-994.

Examples

# NOT RUN {
#library(MetaboList)
#Reading the library and indicating type of adduct
#Isotopic(library,name=c("M+H"))



# }