Fragmentation spectra for different adducts

[mnewmeyer]

I am reviewing some data in Compound Discoverer and came across two features with the same retention time that I suspect are two adducts from the same compound, specifically an [M+H]+ adduct and an [M+NH4]+ adduct. I was reviewing the fragmentation spectra and they have similar fragment ions present, but the relative intensities are different. I have attached a picture comparing the two MS2 spectra. Is it possible for different adducts of the same compound to produce slightly different fragmentation spectra?

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[gpblack]

It seems like it could be possible since fragmentation is reliant on bond energies and the breaking of those bonds. Maybe a M+NH4 has some different energetic interactions than an M+H, causing fragmentation to be a little different? I know this post is older, what did you figure out?

[ulrichem]

Have you considered running these through any in silico fragmenters? Even the “MassSpec Scissors” in ChemSketch could be enlightening.

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