The fingerprint of essential bio-oils by Fourier transform ion cyclotron resonance mass spectrometry
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...
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| Veröffentlicht in: | Analyst (London) 2020-05, Vol.145 (9), p.3414-3423 |
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| creator | Ramírez, Claudia X Palacio Lozano, Diana Catalina Jones, Hugh E Cabanzo Hernández, Rafael Barrow, Mark P Mejia-Ospino, Enrique |
| description | 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.
Six essential oils were analyzed by Fourier transform ion cyclotron resonance mass spectrometry coupled to negative electrospray ionization (ESI(-)/FT-ICR MS). |
| doi_str_mv | 10.1039/c9an02492a |
| format | Article |
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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.
Six essential oils were analyzed by Fourier transform ion cyclotron resonance mass spectrometry coupled to negative electrospray ionization (ESI(-)/FT-ICR MS).</description><identifier>ISSN: 0003-2654</identifier><identifier>EISSN: 1364-5528</identifier><identifier>DOI: 10.1039/c9an02492a</identifier><identifier>PMID: 32254686</identifier><language>eng</language><publisher>England: Royal Society of Chemistry</publisher><subject>Carbohydrates ; Chemical composition ; Cyclotron resonance ; Essential oils ; Fourier transforms ; Functional groups ; Ionization ; Ions ; Lipids ; Mass spectrometry ; Oils & fats ; Oxygen atoms ; Scientific imaging ; Spectroscopy</subject><ispartof>Analyst (London), 2020-05, Vol.145 (9), p.3414-3423</ispartof><rights>Copyright Royal Society of Chemistry 2020</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c322t-83e5ec9490b22b4298996662870d4e402cfe1b1422d23aea9e3157eb46506993</cites><orcidid>0000-0001-5315-5792 ; 0000-0001-9599-7891 ; 0000-0001-8710-8564 ; 0000-0002-6914-5828 ; 0000-0002-6474-5357</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,2818,2819,27901,27902</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/32254686$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Ramírez, Claudia X</creatorcontrib><creatorcontrib>Palacio Lozano, Diana Catalina</creatorcontrib><creatorcontrib>Jones, Hugh E</creatorcontrib><creatorcontrib>Cabanzo Hernández, Rafael</creatorcontrib><creatorcontrib>Barrow, Mark P</creatorcontrib><creatorcontrib>Mejia-Ospino, Enrique</creatorcontrib><title>The fingerprint of essential bio-oils by Fourier transform ion cyclotron resonance mass spectrometry</title><title>Analyst (London)</title><addtitle>Analyst</addtitle><description>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.
Six essential oils were analyzed by Fourier transform ion cyclotron resonance mass spectrometry coupled to negative electrospray ionization (ESI(-)/FT-ICR MS).</description><subject>Carbohydrates</subject><subject>Chemical composition</subject><subject>Cyclotron resonance</subject><subject>Essential oils</subject><subject>Fourier transforms</subject><subject>Functional groups</subject><subject>Ionization</subject><subject>Ions</subject><subject>Lipids</subject><subject>Mass spectrometry</subject><subject>Oils & fats</subject><subject>Oxygen atoms</subject><subject>Scientific imaging</subject><subject>Spectroscopy</subject><issn>0003-2654</issn><issn>1364-5528</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNp90U1v1DAQBmALUdGl5cKdyqgXVCnFHn8kPq5WLSBVcNl75DgTSJXYiyd72H9fly2txIGTvx6NZl4z9l6KaymU-xycjwK0A_-KraSyujIGmtdsJYRQFVijT9lbovtylMKIN-xUARhtG7ti_fYX8mGMPzHv8hgXngaORBiX0U-8G1OVxol4d-C3aZ9HzHzJPtKQ8szHFHk4hCktuewyUoo-BuSzJ-K0w1DuZ1zy4ZydDH4ifPe0nrHt7c1287W6-_Hl22Z9V4XS0FI1Cg0Gp53oADoNrnHOWgtNLXqNWkAYUHZSA_SgPHqHSpoaO22NsM6pM_bpWHaX0-890tLOIwWcJh8x7akF1dRgrGlsoZf_0PsyXizNFeXqWoCRjwWvjirkRJRxaEtGs8-HVor2Mfp249bf_0S_LvjiqeS-m7F_pn-zLuDjEWQKz68vf9fu-qGYD_8z6gF2K5ON</recordid><startdate>20200507</startdate><enddate>20200507</enddate><creator>Ramírez, Claudia X</creator><creator>Palacio Lozano, Diana Catalina</creator><creator>Jones, Hugh E</creator><creator>Cabanzo Hernández, Rafael</creator><creator>Barrow, Mark P</creator><creator>Mejia-Ospino, Enrique</creator><general>Royal Society of Chemistry</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0001-5315-5792</orcidid><orcidid>https://orcid.org/0000-0001-9599-7891</orcidid><orcidid>https://orcid.org/0000-0001-8710-8564</orcidid><orcidid>https://orcid.org/0000-0002-6914-5828</orcidid><orcidid>https://orcid.org/0000-0002-6474-5357</orcidid></search><sort><creationdate>20200507</creationdate><title>The fingerprint of essential bio-oils by Fourier transform ion cyclotron resonance mass spectrometry</title><author>Ramírez, Claudia X ; Palacio Lozano, Diana Catalina ; Jones, Hugh E ; Cabanzo Hernández, Rafael ; Barrow, Mark P ; Mejia-Ospino, Enrique</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c322t-83e5ec9490b22b4298996662870d4e402cfe1b1422d23aea9e3157eb46506993</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Carbohydrates</topic><topic>Chemical composition</topic><topic>Cyclotron resonance</topic><topic>Essential oils</topic><topic>Fourier transforms</topic><topic>Functional groups</topic><topic>Ionization</topic><topic>Ions</topic><topic>Lipids</topic><topic>Mass spectrometry</topic><topic>Oils & fats</topic><topic>Oxygen atoms</topic><topic>Scientific imaging</topic><topic>Spectroscopy</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Ramírez, Claudia X</creatorcontrib><creatorcontrib>Palacio Lozano, Diana Catalina</creatorcontrib><creatorcontrib>Jones, Hugh E</creatorcontrib><creatorcontrib>Cabanzo Hernández, Rafael</creatorcontrib><creatorcontrib>Barrow, Mark P</creatorcontrib><creatorcontrib>Mejia-Ospino, Enrique</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>Analyst (London)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Ramírez, Claudia X</au><au>Palacio Lozano, Diana Catalina</au><au>Jones, Hugh E</au><au>Cabanzo Hernández, Rafael</au><au>Barrow, Mark P</au><au>Mejia-Ospino, Enrique</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The fingerprint of essential bio-oils by Fourier transform ion cyclotron resonance mass spectrometry</atitle><jtitle>Analyst (London)</jtitle><addtitle>Analyst</addtitle><date>2020-05-07</date><risdate>2020</risdate><volume>145</volume><issue>9</issue><spage>3414</spage><epage>3423</epage><pages>3414-3423</pages><issn>0003-2654</issn><eissn>1364-5528</eissn><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.
Six essential oils were analyzed by Fourier transform ion cyclotron resonance mass spectrometry coupled to negative electrospray ionization (ESI(-)/FT-ICR MS).</abstract><cop>England</cop><pub>Royal Society of Chemistry</pub><pmid>32254686</pmid><doi>10.1039/c9an02492a</doi><tpages>1</tpages><orcidid>https://orcid.org/0000-0001-5315-5792</orcidid><orcidid>https://orcid.org/0000-0001-9599-7891</orcidid><orcidid>https://orcid.org/0000-0001-8710-8564</orcidid><orcidid>https://orcid.org/0000-0002-6914-5828</orcidid><orcidid>https://orcid.org/0000-0002-6474-5357</orcidid></addata></record> |
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| source | Royal Society of Chemistry Journals Archive (1841-2007); Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Carbohydrates Chemical composition Cyclotron resonance Essential oils Fourier transforms Functional groups Ionization Ions Lipids Mass spectrometry Oils & fats Oxygen atoms Scientific imaging Spectroscopy |
| title | The fingerprint of essential bio-oils by Fourier transform ion cyclotron resonance mass spectrometry |
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