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ChemDraw Beta 21.0 Portal
Created by Brian Myers
Created on Nov 23, 2021

Mass Fragmentation Tool Fragment left pointing OH but not O–H

nIWhen using the Mass Fragmentation Tool I found a bug where cutting at the alcohol gives an incorrect result. To reproduce the issue, Draw 1-hexanol where the alcohol is on the left. Use the fragment tool to cut the O–C bond fragments of 72 and 17 are given. They should be 71 and 17 or perhaps 70 and 18 (I think chemdraw tries to do this). I drew out the O–H bond then used the fragment tool on the O–C bond and it works as expected. Next I drew inositol and tried cutting the bonds and the left two (red) were fragmented incorrectly whereas the the rest of the OH's fragmented correctly. Interestingly, while cutting the the correct m/z are given then the incorrect fragment is given with HO2• when I release the mouse button.

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