In the International Union of Pure and Applied Chemistry (IUPAC) mass spectrometry convention, a molecular ion is formed by removing or adding one or more Electrons to a molecule without fragmentation of its molecular structure.[ref] For example, removing one Electron from intact water gives : two hydrogen and one oxygen chemical atom, total electric charge , and an unpaired Electron, hence a radical cation. Atom inventory, net electric charge, and electronic state are separate pieces of information. Hydronium, , has a different inventory; it is a polyatomic ion, rather than the molecular ion obtained by electron removal from water.

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