peaklist: HRMS peak list

In nontarget: Detecting Isotope, Adduct and Homologue Relations in LC-MS Data

Description

LC-HRMS peak list of a sewage treatment plant effluent sample.

Usage

data(peaklist)

Format

Numeric data frame with 11172 observations on the following 3 variables.

mass

Peak m/z

intensity

Peak intensity

rt

Peak retention time [min]

Details

HPLC-ESI-FTMS Thermo Fisher orbitrap, resolution 100.000@400m/z, positive ionization, profile data. Generated by Thermo Fisher Formulator peak-picking algorithm; contains satellite peaks for some high intensity peaks.

Examples

data(peaklist)
plot(peaklist[,3],peaklist[,1],pch=19,cex=0.5,xlab="Retention time [min]",ylab="m/z")

Example output

Loading required package: enviPat

 
 Welcome to enviPat version 2.2 
 Check www.envipat.eawag.ch for an interactive online version

Loading required package: nontargetData
Loading required package: mgcv
Loading required package: nlme
This is mgcv 1.8-20. For overview type 'help("mgcv-package")'.

 
 Welcome to nontarget version 1.9 
 

nontarget documentation built on May 2, 2019, 2:32 a.m.