sumFormula: sumFormula

sumFormulaR Documentation

sumFormula

Description

Combine metabolite and adduct as a new sum formula. If there are no enough element to remove, return NA.

Usage

sumFormula(formula = "C9H11NO2", adduct = "M-H2O+H")

Arguments

formula

The formula of metabolite.

adduct

The adduct of metabolite.

Value

A sum formula.

Author(s)

Xiaotao Shen shenxt@sioc.ac.cn


ZhuMSLab/MetDNA documentation built on March 29, 2022, 5:45 p.m.