get_mz_by_monoisotopicmass: get_mz_by_monoisotopicmass

Description Usage Arguments Value Author(s)

View source: R/get_mz_by_monoisotopicmass.R

Description

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

Usage

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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


jaspershen/MSannotator documentation built on May 17, 2017, 11:49 a.m.