Phenolic profiling of the skin, pulp and seeds of Albariño grapes using hybrid quadrupole time-of-flight and triple-quadrupole mass spectrometry
•For the first time a characterisation of the phenolic compounds in skin, pulp and seed of the Albariño grape was reported.•The combination of QqToF and QqQ enabled us to identify 43 polyphenols in skin, pulp and seed of Albariño grape.•The compounds were confirmed by accurate mass measurements in Q...
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| Veröffentlicht in: | Food chemistry 2014-02, Vol.145, p.874-882 |
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| creator | Di Lecce, Giuseppe Arranz, Sara Jáuregui, Olga Tresserra-Rimbau, Anna Quifer-Rada, Paola Lamuela-Raventós, Rosa M. |
| description | •For the first time a characterisation of the phenolic compounds in skin, pulp and seed of the Albariño grape was reported.•The combination of QqToF and QqQ enabled us to identify 43 polyphenols in skin, pulp and seed of Albariño grape.•The compounds were confirmed by accurate mass measurements in QqToF-MS and QqToF-MS/MS modes at high resolution.•Two phenolic compounds, such as (epi)catechin-hexosides, as far as we know, were reported for the first time in grapes.
This paper describes for the first time a complete characterisation of the phenolic compounds in different anatomical parts of the Albariño grape. The application of high-performance liquid chromatography coupled with two complementary techniques, hybrid quadrupole time-of-flight and triple-quadrupole mass spectrometry, allowed the phenolic composition of the Albariño grape to be unambiguously identified and quantified. A more complete phenolic profile was obtained by product ion and precursor ion scans, while a neutral loss scan at 152 u enabled a fast screening of procyanidin dimers, trimers and their galloylated derivatives. The compounds were confirmed by accurate mass measurements in QqToF-MS and QqToF-MS/MS modes at high resolution, and good fits were obtained for all investigated ions, with errors ranging from 0.2 to 4.5 mDa. To the best of our knowledge, two flavanol monomer hexosides were detected in the grape berry for the first time. |
| doi_str_mv | 10.1016/j.foodchem.2013.08.115 |
| format | Article |
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This paper describes for the first time a complete characterisation of the phenolic compounds in different anatomical parts of the Albariño grape. The application of high-performance liquid chromatography coupled with two complementary techniques, hybrid quadrupole time-of-flight and triple-quadrupole mass spectrometry, allowed the phenolic composition of the Albariño grape to be unambiguously identified and quantified. A more complete phenolic profile was obtained by product ion and precursor ion scans, while a neutral loss scan at 152 u enabled a fast screening of procyanidin dimers, trimers and their galloylated derivatives. The compounds were confirmed by accurate mass measurements in QqToF-MS and QqToF-MS/MS modes at high resolution, and good fits were obtained for all investigated ions, with errors ranging from 0.2 to 4.5 mDa. To the best of our knowledge, two flavanol monomer hexosides were detected in the grape berry for the first time.</description><identifier>ISSN: 0308-8146</identifier><identifier>EISSN: 1873-7072</identifier><identifier>DOI: 10.1016/j.foodchem.2013.08.115</identifier><identifier>PMID: 24128559</identifier><identifier>CODEN: FOCHDJ</identifier><language>eng</language><publisher>Kidlington: Elsevier Ltd</publisher><subject>Accurate mass ; Albariño grape ; Antioxidants - analysis ; Antioxidants - chemistry ; Antioxidants - economics ; Biological and medical sciences ; Chromatography, High Pressure Liquid ; Cinnamates - analysis ; Cinnamates - chemistry ; Dietary Supplements - economics ; Flavanol hexose ; Flavonoids - analysis ; Flavonoids - chemistry ; Food toxicology ; Food-Processing Industry - economics ; Fruit - chemistry ; Functional Food - analysis ; Glycosides - analysis ; Glycosides - chemistry ; Hybrid quadrupole time of flight ; Industrial Waste - analysis ; Industrial Waste - economics ; Medical sciences ; Molecular Structure ; Neutral loss scan ; Phenolic compounds ; Phenols - analysis ; Phenols - chemistry ; Plant Extracts - chemistry ; Seeds - chemistry ; Spain ; Spectrometry, Mass, Electrospray Ionization ; Stilbenes - analysis ; Stilbenes - chemistry ; Tandem Mass Spectrometry ; Toxicology ; Vitis - chemistry ; Wine - analysis</subject><ispartof>Food chemistry, 2014-02, Vol.145, p.874-882</ispartof><rights>2013 Elsevier Ltd</rights><rights>2015 INIST-CNRS</rights><rights>Copyright © 2013 Elsevier Ltd. All rights reserved.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c446t-276d9249c50fe25e041b8ccbae65201d7d1d6c267c286d83d34c429b181b3ceb3</citedby><cites>FETCH-LOGICAL-c446t-276d9249c50fe25e041b8ccbae65201d7d1d6c267c286d83d34c429b181b3ceb3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/S030881461301217X$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,776,780,3537,27901,27902,65534</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=28409892$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/24128559$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Di Lecce, Giuseppe</creatorcontrib><creatorcontrib>Arranz, Sara</creatorcontrib><creatorcontrib>Jáuregui, Olga</creatorcontrib><creatorcontrib>Tresserra-Rimbau, Anna</creatorcontrib><creatorcontrib>Quifer-Rada, Paola</creatorcontrib><creatorcontrib>Lamuela-Raventós, Rosa M.</creatorcontrib><title>Phenolic profiling of the skin, pulp and seeds of Albariño grapes using hybrid quadrupole time-of-flight and triple-quadrupole mass spectrometry</title><title>Food chemistry</title><addtitle>Food Chem</addtitle><description>•For the first time a characterisation of the phenolic compounds in skin, pulp and seed of the Albariño grape was reported.•The combination of QqToF and QqQ enabled us to identify 43 polyphenols in skin, pulp and seed of Albariño grape.•The compounds were confirmed by accurate mass measurements in QqToF-MS and QqToF-MS/MS modes at high resolution.•Two phenolic compounds, such as (epi)catechin-hexosides, as far as we know, were reported for the first time in grapes.
This paper describes for the first time a complete characterisation of the phenolic compounds in different anatomical parts of the Albariño grape. The application of high-performance liquid chromatography coupled with two complementary techniques, hybrid quadrupole time-of-flight and triple-quadrupole mass spectrometry, allowed the phenolic composition of the Albariño grape to be unambiguously identified and quantified. A more complete phenolic profile was obtained by product ion and precursor ion scans, while a neutral loss scan at 152 u enabled a fast screening of procyanidin dimers, trimers and their galloylated derivatives. The compounds were confirmed by accurate mass measurements in QqToF-MS and QqToF-MS/MS modes at high resolution, and good fits were obtained for all investigated ions, with errors ranging from 0.2 to 4.5 mDa. To the best of our knowledge, two flavanol monomer hexosides were detected in the grape berry for the first time.</description><subject>Accurate mass</subject><subject>Albariño grape</subject><subject>Antioxidants - analysis</subject><subject>Antioxidants - chemistry</subject><subject>Antioxidants - economics</subject><subject>Biological and medical sciences</subject><subject>Chromatography, High Pressure Liquid</subject><subject>Cinnamates - analysis</subject><subject>Cinnamates - chemistry</subject><subject>Dietary Supplements - economics</subject><subject>Flavanol hexose</subject><subject>Flavonoids - analysis</subject><subject>Flavonoids - chemistry</subject><subject>Food toxicology</subject><subject>Food-Processing Industry - economics</subject><subject>Fruit - chemistry</subject><subject>Functional Food - analysis</subject><subject>Glycosides - analysis</subject><subject>Glycosides - chemistry</subject><subject>Hybrid quadrupole time of flight</subject><subject>Industrial Waste - analysis</subject><subject>Industrial Waste - economics</subject><subject>Medical sciences</subject><subject>Molecular Structure</subject><subject>Neutral loss scan</subject><subject>Phenolic compounds</subject><subject>Phenols - analysis</subject><subject>Phenols - chemistry</subject><subject>Plant Extracts - chemistry</subject><subject>Seeds - chemistry</subject><subject>Spain</subject><subject>Spectrometry, Mass, Electrospray Ionization</subject><subject>Stilbenes - analysis</subject><subject>Stilbenes - chemistry</subject><subject>Tandem Mass Spectrometry</subject><subject>Toxicology</subject><subject>Vitis - chemistry</subject><subject>Wine - analysis</subject><issn>0308-8146</issn><issn>1873-7072</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqFkc1u1DAUhS0EotPCK1TeILFogu04jrOjqkpBqgQLWFuOfTPx4MSpnSDNY_AoPAMvhoeZAjtWd3G_c3_OQeiSkpISKt7syj4EawYYS0ZoVRJZUlo_QRsqm6poSMOeog2piCwk5eIMnae0I4RkVj5HZ4xTJuu63aDvnwaYgncGzzH0zrtpi0OPlwFw-uqmKzyvfsZ6sjgB2HToXftOR_fzR8DbqGdIeE0H1bDvorP4YdU2rnPwgBc3QhH6ovduOyy_hyzRzR6Kf6BRp4TTDGaJYYQl7l-gZ732CV6e6gX68u7288374v7j3Yeb6_vCcC6WgjXCtoy3piY9sBoIp500ptMg6vylbSy1wjDRGCaFlZWtuOGs7aikXWWgqy7Q6-Pc_PjDCmlRo0sGvNcThDUpyjnPjlHRZFQcURNDShF6NUc36rhXlKhDHGqnHuNQhzgUkSrHkYWXpx1rN4L9I3v0PwOvToBORvs-6sm49JeTnLSyZZl7e-QgO_LNQVTJOJgMWBezdcoG979bfgFLA6-a</recordid><startdate>20140215</startdate><enddate>20140215</enddate><creator>Di Lecce, Giuseppe</creator><creator>Arranz, Sara</creator><creator>Jáuregui, Olga</creator><creator>Tresserra-Rimbau, Anna</creator><creator>Quifer-Rada, Paola</creator><creator>Lamuela-Raventós, Rosa M.</creator><general>Elsevier Ltd</general><general>Elsevier</general><scope>IQODW</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>20140215</creationdate><title>Phenolic profiling of the skin, pulp and seeds of Albariño grapes using hybrid quadrupole time-of-flight and triple-quadrupole mass spectrometry</title><author>Di Lecce, Giuseppe ; Arranz, Sara ; Jáuregui, Olga ; Tresserra-Rimbau, Anna ; Quifer-Rada, Paola ; Lamuela-Raventós, Rosa M.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c446t-276d9249c50fe25e041b8ccbae65201d7d1d6c267c286d83d34c429b181b3ceb3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2014</creationdate><topic>Accurate mass</topic><topic>Albariño grape</topic><topic>Antioxidants - analysis</topic><topic>Antioxidants - chemistry</topic><topic>Antioxidants - economics</topic><topic>Biological and medical sciences</topic><topic>Chromatography, High Pressure Liquid</topic><topic>Cinnamates - analysis</topic><topic>Cinnamates - chemistry</topic><topic>Dietary Supplements - economics</topic><topic>Flavanol hexose</topic><topic>Flavonoids - analysis</topic><topic>Flavonoids - chemistry</topic><topic>Food toxicology</topic><topic>Food-Processing Industry - economics</topic><topic>Fruit - chemistry</topic><topic>Functional Food - analysis</topic><topic>Glycosides - analysis</topic><topic>Glycosides - chemistry</topic><topic>Hybrid quadrupole time of flight</topic><topic>Industrial Waste - analysis</topic><topic>Industrial Waste - economics</topic><topic>Medical sciences</topic><topic>Molecular Structure</topic><topic>Neutral loss scan</topic><topic>Phenolic compounds</topic><topic>Phenols - analysis</topic><topic>Phenols - chemistry</topic><topic>Plant Extracts - chemistry</topic><topic>Seeds - chemistry</topic><topic>Spain</topic><topic>Spectrometry, Mass, Electrospray Ionization</topic><topic>Stilbenes - analysis</topic><topic>Stilbenes - chemistry</topic><topic>Tandem Mass Spectrometry</topic><topic>Toxicology</topic><topic>Vitis - chemistry</topic><topic>Wine - analysis</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Di Lecce, Giuseppe</creatorcontrib><creatorcontrib>Arranz, Sara</creatorcontrib><creatorcontrib>Jáuregui, Olga</creatorcontrib><creatorcontrib>Tresserra-Rimbau, Anna</creatorcontrib><creatorcontrib>Quifer-Rada, Paola</creatorcontrib><creatorcontrib>Lamuela-Raventós, Rosa M.</creatorcontrib><collection>Pascal-Francis</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Food chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Di Lecce, Giuseppe</au><au>Arranz, Sara</au><au>Jáuregui, Olga</au><au>Tresserra-Rimbau, Anna</au><au>Quifer-Rada, Paola</au><au>Lamuela-Raventós, Rosa M.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Phenolic profiling of the skin, pulp and seeds of Albariño grapes using hybrid quadrupole time-of-flight and triple-quadrupole mass spectrometry</atitle><jtitle>Food chemistry</jtitle><addtitle>Food Chem</addtitle><date>2014-02-15</date><risdate>2014</risdate><volume>145</volume><spage>874</spage><epage>882</epage><pages>874-882</pages><issn>0308-8146</issn><eissn>1873-7072</eissn><coden>FOCHDJ</coden><abstract>•For the first time a characterisation of the phenolic compounds in skin, pulp and seed of the Albariño grape was reported.•The combination of QqToF and QqQ enabled us to identify 43 polyphenols in skin, pulp and seed of Albariño grape.•The compounds were confirmed by accurate mass measurements in QqToF-MS and QqToF-MS/MS modes at high resolution.•Two phenolic compounds, such as (epi)catechin-hexosides, as far as we know, were reported for the first time in grapes.
This paper describes for the first time a complete characterisation of the phenolic compounds in different anatomical parts of the Albariño grape. The application of high-performance liquid chromatography coupled with two complementary techniques, hybrid quadrupole time-of-flight and triple-quadrupole mass spectrometry, allowed the phenolic composition of the Albariño grape to be unambiguously identified and quantified. A more complete phenolic profile was obtained by product ion and precursor ion scans, while a neutral loss scan at 152 u enabled a fast screening of procyanidin dimers, trimers and their galloylated derivatives. The compounds were confirmed by accurate mass measurements in QqToF-MS and QqToF-MS/MS modes at high resolution, and good fits were obtained for all investigated ions, with errors ranging from 0.2 to 4.5 mDa. To the best of our knowledge, two flavanol monomer hexosides were detected in the grape berry for the first time.</abstract><cop>Kidlington</cop><pub>Elsevier Ltd</pub><pmid>24128559</pmid><doi>10.1016/j.foodchem.2013.08.115</doi><tpages>9</tpages><oa>free_for_read</oa></addata></record> |
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| subjects | Accurate mass Albariño grape Antioxidants - analysis Antioxidants - chemistry Antioxidants - economics Biological and medical sciences Chromatography, High Pressure Liquid Cinnamates - analysis Cinnamates - chemistry Dietary Supplements - economics Flavanol hexose Flavonoids - analysis Flavonoids - chemistry Food toxicology Food-Processing Industry - economics Fruit - chemistry Functional Food - analysis Glycosides - analysis Glycosides - chemistry Hybrid quadrupole time of flight Industrial Waste - analysis Industrial Waste - economics Medical sciences Molecular Structure Neutral loss scan Phenolic compounds Phenols - analysis Phenols - chemistry Plant Extracts - chemistry Seeds - chemistry Spain Spectrometry, Mass, Electrospray Ionization Stilbenes - analysis Stilbenes - chemistry Tandem Mass Spectrometry Toxicology Vitis - chemistry Wine - analysis |
| title | Phenolic profiling of the skin, pulp and seeds of Albariño grapes using hybrid quadrupole time-of-flight and triple-quadrupole mass spectrometry |
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