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• Sun, J
• Liang, F
• Bin, Y
• Li, P
• Duan, C
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• Liang, F
• Bin, Y
• Li, P
• Duan, C
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• Liang, F
• Bin, Y
• Li, P
• Duan, C

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Molecules 2007, 12(3), 679-693; doi:10.3390/12030679

Article

Screening Non-colored Phenolics in Red Wines using Liquid Chromatography/Ultraviolet and Mass Spectrometry/Mass Spectrometry Libraries

Jianping Sun ¹ , Feng Liang ³ , Yan Bin ² , Ping Li ³  and Changqing Duan ^1,*

¹ Center for Viticulture and Enology, College of Food Science and Nutritional Engineering, China Agriculture University, 10083 Beijing, People’s Republic of China ² Cofco Wines and Spirits, Co. Ltd, 100005 Beijing, People’s Republic of China ³ Agilent Technologies Co. Ltd, 100022 Beijing, People’s Republic of China

* Author to whom correspondence should be addressed.

Received: 13 December 2006; in revised form: 24 March 2007 / Accepted: 29 March 2007 / Published: 30 March 2007

(This article belongs to the Special Issue Phenolics and Polyphenolics)

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Abstract: Liquid chromatography/ultraviolet (LC/UV) and mass spectrometry/mass spectrometry (MS/MS) libraries containing 39 phenolic compounds were established by coupling a LC and an ion trap MS with an electrospray ionization (ESI) source, operated in negative ion mode. As a result, the deprotonated [M-H]- molecule was observed for all the analyzed compounds. Using MS/MS hydroxybenzoic acid and hydroxycinnamic acids showed a loss of CO2 and production of a [M-H-44] - fragment and as expected, the UV spectra of these two compounds were affected by their chemical structures. For flavonol and flavonol glycosides, the spectra of their glycosides and aglycones produced deprotonated [M-H]- and [A-H]- species, respectively, and their UV spectra each presented two major absorption peaks. The UV spectra and MS/MS data of flavan-3-ols and stilbenes were also investigated. Using the optimized LC/MS/MS analytical conditions, the phenolic extracts from six representative wine samples were analyzed and 31 phenolic compounds were detected, 26 of which were identified by searching the LC/UV and MS/MS libraries. Finally, the presence of phenolic compounds was confirmed in different wine samples using the LC/UV and LC/MS/MS libraries.

Keywords: Non-colored phenolic compounds; Red wines; LC-UV; LC-MS/MS

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