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Puzzled over MS
Communityschisto research community
Relevant experiment. Basically, the Pictet-Spengler to form 3 PZQ analogues and PZQ itself.
The mass spec is of a by-product of the acid mediated PS cyclisation of MNR10-1 to form KAB8-1, aka the dimethoxy N-benzoyl PZQ analogue.
There was a significant amount of it (~700 mg). It went from red goop to red crystals after I'd left it alone in the flask for 20 minutes or so - this was during the work up of KAB8-1.
The identity of the peak at m/z = 441 has been eluding me for the last couple of weeks. I've tried combinations of known intermediates(?) of the PS reaction, such as these three:
I've been focussing on 441, because it's so close to the expected m/z of M + Na of 389.4 (peak at 921, dimer?). Note: the hemiaminal (3rd from the left) with Na is 407.4 and I think that's the closest I could get.
Any help would be much appreciated!