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What is the molecular ion?

  • A.The heaviest fragment the molecule produces on breaking apart
  • B.The most abundant ion in the whole spectrum
  • C.The ion formed by adding a proton to the molecule
  • D.The intact molecule minus one electron

Answer: D

The molecular ion is the whole molecule with one electron removed, so its mass gives the molecular weight directly. The heaviest fragment may or may not be it, the most abundant is the base peak, and the protonated species belongs to chemical ionisation. Identifying which peak is the molecular ion is the first task in reading any spectrum, and getting it wrong invalidates everything that follows. A single measurement chosen to respond to the one asymmetry beats several that respond to shared behaviour.

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