The fingerprint of essential bio-oils by Fourier transform ion cyclotron resonance mass spectrometry.
Analyst
; 145(9): 3414-3423, 2020 May 07.
Article
em En
| MEDLINE
| ID: mdl-32254686
ABSTRACT
Six essential oils were analyzed by Fourier transform ion cyclotron resonance mass spectrometry coupled to negative-ion electrospray ionization (ESI(-)/FT-ICR MS). ESI offers selective ionization of a compound's polar functional groups containing nitrogen and oxygen heteroatoms. ESI in negative-ion mode allows the identification of the acidic compounds. The results showed that the samples contain between 1100-3600 individual molecular compositions, which corresponds to the greatest number of species detected to date in essential oils obtained from aromatic plant material. The compositions cover a mass range between m/z 150-500 with up to 41 carbon atoms. The dominant organic constituents of the essential oils correspond to species incorporating 2-5 oxygen atoms, detected as deprotonated/sodiated/chlorinated species. A set of 580 molecular assignments were found in common across all the samples and for the first time, a set of unique molecular systems were identified, and up to 1373 species as a unique composition for each essential oil. The molecular distributions plotted in van Krevelen diagrams (classified by their H/C vs. O/C values) suggest the presence of species with long alkyl chains and low numbers of rings plus double bonds.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Analyst
Ano de publicação:
2020
Tipo de documento:
Article
País de afiliação:
Colômbia