Predictive Multi Experiment Approach for the Determination of Conjugated Phenolic Compounds in Vegetal Matrices by Means of LC-MS/MS
Polyphenols (PCs) are a numerous class of bioactive molecules and are known for their antioxidant activity. In this work, the potential of the quadrupole/linear ion trap hybrid mass spectrometer (LIT-QqQ) was exploited to develop a semi-untargeted method for the identification of polyphenols in diff...
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| Format: | Article |
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MDPI AG
2022-05-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/10/3089 |
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| author | Eleonora Oliva Federico Fanti Sara Palmieri Eduardo Viteritti Fabiola Eugelio Alessia Pepe Dario Compagnone Manuel Sergi |
| author_facet | Eleonora Oliva Federico Fanti Sara Palmieri Eduardo Viteritti Fabiola Eugelio Alessia Pepe Dario Compagnone Manuel Sergi |
| author_sort | Eleonora Oliva |
| collection | DOAJ |
| description | Polyphenols (PCs) are a numerous class of bioactive molecules and are known for their antioxidant activity. In this work, the potential of the quadrupole/linear ion trap hybrid mass spectrometer (LIT-QqQ) was exploited to develop a semi-untargeted method for the identification of polyphenols in different food matrices: green coffee, <i>Crocus sativus</i> L. (saffron) and <i>Humulus lupulus</i> L. (hop). Several conjugate forms of flavonoids and hydroxycinnamic acid were detected using neutral loss (NL) as a survey scan coupled with dependent scans with enhanced product ion (EPI) based on information-dependent acquisition (IDA) criteria. The presented approach is focused on a specific class of molecules and provides comprehensive information on the different conjugation models that are related to specific base molecules, thus allowing a quick and effective identification of all possible combinations, such as mono-, di-, or tri-glycosylation or another type of conjugation such as quinic acid esters. |
| first_indexed | 2024-03-10T03:21:08Z |
| format | Article |
| id | doaj.art-71b4a2673a574ebbb73623aa5d35c4a1 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T03:21:08Z |
| publishDate | 2022-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-71b4a2673a574ebbb73623aa5d35c4a12023-11-23T12:20:52ZengMDPI AGMolecules1420-30492022-05-012710308910.3390/molecules27103089Predictive Multi Experiment Approach for the Determination of Conjugated Phenolic Compounds in Vegetal Matrices by Means of LC-MS/MSEleonora Oliva0Federico Fanti1Sara Palmieri2Eduardo Viteritti3Fabiola Eugelio4Alessia Pepe5Dario Compagnone6Manuel Sergi7Faculty of Bioscience and Technology for Food, Agriculture and Environment, University of Teramo, Via Renato Balzarini 1, 64100 Teramo, ItalyFaculty of Bioscience and Technology for Food, Agriculture and Environment, University of Teramo, Via Renato Balzarini 1, 64100 Teramo, ItalyFaculty of Bioscience and Technology for Food, Agriculture and Environment, University of Teramo, Via Renato Balzarini 1, 64100 Teramo, ItalyFaculty of Bioscience and Technology for Food, Agriculture and Environment, University of Teramo, Via Renato Balzarini 1, 64100 Teramo, ItalyFaculty of Bioscience and Technology for Food, Agriculture and Environment, University of Teramo, Via Renato Balzarini 1, 64100 Teramo, ItalyFaculty of Bioscience and Technology for Food, Agriculture and Environment, University of Teramo, Via Renato Balzarini 1, 64100 Teramo, ItalyFaculty of Bioscience and Technology for Food, Agriculture and Environment, University of Teramo, Via Renato Balzarini 1, 64100 Teramo, ItalyFaculty of Bioscience and Technology for Food, Agriculture and Environment, University of Teramo, Via Renato Balzarini 1, 64100 Teramo, ItalyPolyphenols (PCs) are a numerous class of bioactive molecules and are known for their antioxidant activity. In this work, the potential of the quadrupole/linear ion trap hybrid mass spectrometer (LIT-QqQ) was exploited to develop a semi-untargeted method for the identification of polyphenols in different food matrices: green coffee, <i>Crocus sativus</i> L. (saffron) and <i>Humulus lupulus</i> L. (hop). Several conjugate forms of flavonoids and hydroxycinnamic acid were detected using neutral loss (NL) as a survey scan coupled with dependent scans with enhanced product ion (EPI) based on information-dependent acquisition (IDA) criteria. The presented approach is focused on a specific class of molecules and provides comprehensive information on the different conjugation models that are related to specific base molecules, thus allowing a quick and effective identification of all possible combinations, such as mono-, di-, or tri-glycosylation or another type of conjugation such as quinic acid esters.https://www.mdpi.com/1420-3049/27/10/3089polyphenolsHPLC-MS/MSneutral loss scanIDAEPI |
| spellingShingle | Eleonora Oliva Federico Fanti Sara Palmieri Eduardo Viteritti Fabiola Eugelio Alessia Pepe Dario Compagnone Manuel Sergi Predictive Multi Experiment Approach for the Determination of Conjugated Phenolic Compounds in Vegetal Matrices by Means of LC-MS/MS Molecules polyphenols HPLC-MS/MS neutral loss scan IDA EPI |
| title | Predictive Multi Experiment Approach for the Determination of Conjugated Phenolic Compounds in Vegetal Matrices by Means of LC-MS/MS |
| title_full | Predictive Multi Experiment Approach for the Determination of Conjugated Phenolic Compounds in Vegetal Matrices by Means of LC-MS/MS |
| title_fullStr | Predictive Multi Experiment Approach for the Determination of Conjugated Phenolic Compounds in Vegetal Matrices by Means of LC-MS/MS |
| title_full_unstemmed | Predictive Multi Experiment Approach for the Determination of Conjugated Phenolic Compounds in Vegetal Matrices by Means of LC-MS/MS |
| title_short | Predictive Multi Experiment Approach for the Determination of Conjugated Phenolic Compounds in Vegetal Matrices by Means of LC-MS/MS |
| title_sort | predictive multi experiment approach for the determination of conjugated phenolic compounds in vegetal matrices by means of lc ms ms |
| topic | polyphenols HPLC-MS/MS neutral loss scan IDA EPI |
| url | https://www.mdpi.com/1420-3049/27/10/3089 |
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