Reference Spectroscopy Reference Mass Spectrometry: Common Fragment Losses
Mass Spectrometry: Common Fragment Losses
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In this section
| Mass Lost | Fragment | Suggests |
|---|---|---|
| 15 | •CH₃ | Methyl group present |
| 17 | •OH | Alcohol |
| 18 | H₂O | Alcohol (dehydration in the mass spectrometer) |
| 28 | CO or C₂H₄ | Carbonyl compound (loss of CO) or an ethyl/alkene fragment |
| 29 | •CHO or •C₂H₅ | Aldehyde (loss of CHO) or an ethyl group |
| 43 | C₃H₇⁺ or CH₃CO⁺ (acylium) | Propyl fragment, or a methyl ketone (acylium ion is often a strong, diagnostic peak) |
| 45 | •COOH | Carboxylic acid |
| 57 | C₄H₉⁺ or C₂H₅CO⁺ (acylium) | Butyl fragment, or an ethyl ketone |
| 77 | C₆H₅⁺ (phenyl cation) | Monosubstituted benzene ring |
Acylium ions (R–C≡O⁺, the same cationic species that drives Friedel-Crafts acylation in Appendix C) are common, stabilized fragments from ketones and aldehydes, which is why losses corresponding to R–CO⁺ (43, 57, and similar) are frequently prominent peaks.
The molecular ion (M⁺) — the unfragmented, ionized starting molecule — gives the molecular weight directly and is the anchor point for interpreting every fragment loss above it (Chapter 20).