Related Experiment Video
Updated: May 23, 2025

Semi-Quantitative Analysis of Peptidoglycan by Liquid Chromatography Mass Spectrometry and Bioinformatics
Published on: October 13, 2020
Protein digestion, peptide mass and peptide fragmentation with MZCal: A user-friendly phone-compatible application
Brittannie Willis1, Harry J Whitwell2
1Section of Bioanalytical Chemistry, Division of Systems Medicine, Department of Metabolism, Digestion and Reproduction, Burlington Danes Building, Imperial College London, London W12 0NN, UK.
Abstract:
MZCal is a user-friendly, mobile-compatible web application designed for assisting peptide analysis in bottom-up mass spectrometry (MS). There are many tools for basic in-silico digestion, peptide mass and peptide mz calculations, though not in a single, convenient and mobile-friendly format. Since internet availability can often be limited on mass-spectrometry linked computers, we developed MZCal for use in our laboratory, featuring tools that we commonly use in evaluating MS methods for bottom-up proteomics while working at the mass spectrometer. MZCal provides a single platform for in silico protein digestion, peptide mass and fragmentation calculations, and spectral prediction using MS2PIP. Optimised for use on both Android and iOS devices, MZCal enables convenient, real-time mass spectrum interpretation in laboratory settings and as a teaching resource. Unlike more complex web-tools, MZCal offers a streamlined interface that prioritises ease of use and accessibility. Overall, MZCal serves as a practical, portable solution for essential peptide calculations, providing an intuitive and accessible tool for both researchers and educators.
Related Concept Videos
Peptide Identification Using Tandem Mass Spectrometry
This technique helps gather information regarding the protein from which the peptide was obtained and to study the peptides’ amino acid sequence. Identifying peptides from a complex mixture is an important component of the growing field of...
Mass Spectrometry: Carboxylic Acid, Ester, and Amide Fragmentation
For example,...
Mass Spectrometry: Amine Fragmentation
In amines, the number of nitrogen atoms affects the mass of the molecular ion, which is described by the nitrogen rule of mass spectrometry. This rule states that a compound containing...
Mass Spectrum: Interpretation
To...
Mass Spectrum
Mass Spectrometry: Molecular Fragmentation Overview
One type of fragmentation pattern is the cleavage of a single bond in the molecular ion. The cleavage leads to a radical and a cation. The cleavage can...

