Hi Anton,

You speak about data coming from the analysis of plasma by mass spectrometry or ToF-SIMS of your plasma polymer films?

Well, I am talking about analysis of electron spray ionization spectra of the solution of my sample. I know the chemical formula of what I am looking for but I cant identify the brutto formula of my peaks ( from the exact mass m/z ratio).

But in the first approximation I can say that I could use the same tool as for ToF Sims spectra treatment. But I dont have it. I just have the ascii data.

Ok, I understand. I will speak tomorrow with the guy responsible of the Tof Sims in the lab. I will keep you informed.

Dear Damien,

I am attaching the mass spectrum. Here I expect to have Carbon, Hydrogen, Nitrogen, Oxygen, possible presense of Sulphur and (maybe) Fluorine. I also expect to have quite high number of aromatic carbon. Thanks a lot in advance!

There is a free isotopic pattern predictor

http://www.sisweb.com/mstools/isotope.htm

You can try various compositions and then compare to your spectra by isotopic vector angle analysis.

https://www.researchgate.net/publication/315801653_Centroiding_Error_and_Isotopic_Vectors_for_Improved_LCMS_Analyses

Poster Centroiding Error and Isotopic Vectors for Improved LC/MS Analyses

Have you seen Martin Strohalm's mMass? I'm not sure if it will give you sufficiently good mass accuracies at high mass ranges, but seems to me to be OK at

Dear Mr. Strutt,

Thank You very much! I will try to use this tool.

Kind Regards