get_mz_by_monoisotopicmass: get_mz_by_monoisotopicmass

In yufree/xMSannotator: xMSannotator: R package for network based annotation of metabolomics data.

get_mz_by_monoisotopicmass

Description

Generate list of expected m/z for a specific monoisotopic mass

Usage

get_mz_by_monoisotopicmass(monoisotopicmass, dbid = NA,
name = NA, formula = NA, queryadductlist = c("M+H"), 
syssleep = 0.01)

Arguments

monoisotopicmass	Monoisotopic mass. e.g.: 149.051
dbid	Database or user-defined ID. e.g.: "M001"
name	Metabolite name. e.g.: "Methionine"
formula	Chemical formula. e.g.: "C5H11NO2S"
queryadductlist	List of adducts to be used for searching. eg: c("M+H","M+Na","M+K"), c("positive") for positive adducts, c("negative") for negative adducts c("all") for all adducts
syssleep	Wait time between queries to prevent overloading the KEGG REST interface. e.g.: 0.1

Value

Returns an R object with a list of expected m/z for the input monoisotopic mass.

Author(s)

Karan Uppal

yufree/xMSannotator documentation built on Oct. 31, 2022, 12:20 a.m.