Working with Mmass?Mass spectrometry?Evaluation?

Hello,

I have several questions about this program. I have been given spectra to evaluate, which I am supposed to analyze using Mmass. Unfortunately, the program crashes frequently, which is a clear indication that the adduct is incorrect. But in the spectra it is usually the case that only H+ peaks are visible next to the base peak, but no further away peaks for potassium, lithium, sodium or ammonium. Does anyone have any suggestions for a solution to this problem, or can potassium etc. still be present as an adduct even though the peaks are not this far apart? After trying several times, I still cannot get the structural formula that is on my list. I have now solved the problems using the mass and a list of what could be in it. But to be on the safe side, I would like to know how and possibly with which other program I can solve these problems.

(2 votes)
Loading...

Similar Posts

Subscribe
Notify of
1 Answer
Oldest
Newest Most Voted
Inline Feedbacks
View all comments
MertIs
3 months ago

Unfortunately, the programme is falling more often, which is a clear indication that the adduct is not correct.

For me, this is a clear indication that the program is crap, otherwise nothing 😛

How are the spectra? In which file format? But it doesn’t matter, I’m always using Python. Just write a script yourself. At least you know what happens.

SciPy and NumPy are always good options.