About this website:

I hope for this resource to be used during native and ion mobility mass spectrometry experiments. The aim is that rather than trying to do calculations manually or using excel on the high pressure experimental sessions, a user can instead use the various calculators on this website.

Amphitrite:

Amphitrite is a set of graphical applications for deconvoluting mass spectra and processing ion mobility data. At the moment the ion mobility analysis is limited to data collected on a Waters Synapt G1 but we hope to extend this to other instruments soon.

MS calculations:

This portion of the website is focused on standard and common mass spectrometry problems. Here you can calculate mass from m/z and charge, or from the typed in m/z peak tops.

You can also calculate the theoretical charge state m/z values for your protein (and ligand), this produces a table which you can print and keep in your lab book for quick determination of charge states in a mass spectrum whenever you analyse the protein.

Finally you can upload a mass spectrum text file (copy spectrum list in MassLynx), and plot where particular masses would appear, allowing you to easily identify a molecular species of interest in a congested spectrum.

Concentration calculations:

This section has similar functionality to the much loved graphpad website. I've added some extra features which are overlooked by graphpad, here any of the variables in a calculation can be given as the answer. A simple dilution calculator has also been added.

Community and the future:

So far I have added features that I know I would use. However many of you may have suggestions for additional features or calculations you would like the website to perform. To this end I have created a Google Group where you can contact me about the site:

Mass spectrometry calculator Google Group