Deisotoping a Spectrum

3.4 Deisotoping a Spectrum

This section includes:

•Description

•During peak deisotoping

•When to use

•Requirements

•Using the Deisotope function

•Troubleshooting

•Example

•Returning to the original spectrum

Description

During peak deisotoping

The Deisotope function reduces a spectrum to a centroided plot by deconvoluting the monoisotopic peaks from the current peak list.

Peak deisotoping is an advanced peak filtering method that can determine the relative abundance of multiple components

with overlapping isotope distributions. The deisotoping3 algorithm uses the elemental composition that you specify to improve the determination of the monoisotopic mass by considering the centroid masses of all peaks in the isotopic envelope.

For each detected peak in a spectrum, the software inspects the peak list for the higher theoretical masses and areas associated with additional expected peaks in a theoretical isotopic cluster, relative to the peak in question.

Data Explorer™ Software User’s Guide

3-45