convertMsp2Spectra {MetCirc} | R Documentation

## Convert MSP data frame into object of class 'MSpectra'

### Description

Convert msp data frame into object of class [MSpectra()]

### Usage

    convertMsp2Spectra(msp)

### Arguments

`msp` | 'data.frame' that mimicks the .msp file format, see Details for further information

### Details

msp is a data frame of a .msp file, a typical data file for MS/MS libraries. The data frame has two columns and contains in the first column the entries "NAME:", "PRECURSORMZ:" (or "EXACTMASS:"), "RETENTIONTIME:", Num Peaks:" and information on fragments and peak areas/intensities and will extract the respective information in the second column.

### Value

'convertMsp2Spectra' returns an object of class 'MSpectra'

### Author(s)

Thomas Naake, thomasnaake@googlemail.com

### Examples

    data("convertMsp2Spectra", package = "MetCirc")
    convertMsp2Spectra(msp = msp2spectra)

[Package MetCirc version 1.20.0 Index]