Mass Spectrometry

The lab(s) is(are) detailed here: Experiment IV - Mass Spectrometry of Proteins and Peptides

While there are plenty of websites and free and commercial software for calculating mass spectra, generally, it is better to calculate them on your own. Usually, Excell or an equivalent spreadsheet is the best way. Here's a useful spreadsheet: Mass Calculator Spreadsheet

For all mass spectral calculations, you need a good mass table for the elements. Here's a very good one: Mass Table (chemist oriented)

For physicists and programmers, it may be better to use this formatted mass table:Mass Table (ascii text file) Note: this is the current (2004 updated) table of the best measured rest-masses of all isotopes.

Laboratory Files

Overview of the spectra : Laboratory - Mass Spectra Overview

Spectrum 1: Mass Spectrum 1 (text) - MALDI tryptic digest

Spectrum 2: Mass Spectrum 2 (text) - MALDI whole protein

Spectrum 3: Mass Spectrum 3 (Text) - ESI tryptic digest

Spectrum 4: Mass Spectrum 4 (text) - ESI peptide CAD

Spectrum 5: Mass Spectrum 5 (text) - ESI peptide ETD

Corrections:

Spectrum 4: ESI-CID of a tryptic digest peptide

Spectrum 5: ESI-ETD of a tryptic digest peptide

Spectrum 6: ESI whole protein