A new software-assisted analytical workflow based on high-resolution mass spectrometry for the systematic study of phenolic compounds in complex matrices
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A new software-assisted analytical workflow based on high-resolution mass spectrometry for the systematic study of phenolic compounds in complex matrices. / Cerrato, Andrea; Cannazza, Giuseppe; Capriotti, Anna Laura; Citti, Cinzia; La Barbera, Giorgia; Laganà, Aldo; Montone, Carmela Maria; Piovesana, Susy; Cavaliere, Chiara.
In: Talanta, Vol. 209, 120573, 2020.Research output: Contribution to journal › Journal article › Research › peer-review
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T1 - A new software-assisted analytical workflow based on high-resolution mass spectrometry for the systematic study of phenolic compounds in complex matrices
AU - Cerrato, Andrea
AU - Cannazza, Giuseppe
AU - Capriotti, Anna Laura
AU - Citti, Cinzia
AU - La Barbera, Giorgia
AU - Laganà, Aldo
AU - Montone, Carmela Maria
AU - Piovesana, Susy
AU - Cavaliere, Chiara
N1 - CURIS 2020 NEXS 144
PY - 2020
Y1 - 2020
N2 - Polyphenols are a broad class of plant secondary metabolites which carry out several biological functions for plant growth and protection and are of great interest as nutraceuticals for their antioxidant properties. However, due to their structural variability and complexity, the mass-spectrometric analysis of polyphenol content in plant matrices is still an issue. In this work, a novel approach for the identification of several classes of polyphenol derivatives based on ultra-high performance liquid chromatography coupled to high-resolution mass spectrometry was developed. First, mass-spectrometric parameters were optimized in order to obtain a large set of diagnostic product ions for their high-confidence identification. The software Compound Discoverer 3.0 was then implemented with a comprehensive database of 45,567 polyphenol derivatives and with mass-spectrometric data for their building blocks, resulting in a specific tool for the semi-automatic identification of flavonoids, anthocyanins, ellagitannins, proanthocyanidins and phenolic acids. The method was then applied to the identification of polyphenols in industrial hemp (Cannabis sativa), a matrix whose use is recently spreading for pharmaceutical and nutraceutical purposes, resulting in the identification of 147 compounds belonging to the classes of flavonoids, proanthocyanidins and phenolic acids. The proposed method is applicable to the polyphenol profiling of any plant matrix and it is not dependent on data in the literature for their identification, allowing the discovery of compounds which have been never identified before.
AB - Polyphenols are a broad class of plant secondary metabolites which carry out several biological functions for plant growth and protection and are of great interest as nutraceuticals for their antioxidant properties. However, due to their structural variability and complexity, the mass-spectrometric analysis of polyphenol content in plant matrices is still an issue. In this work, a novel approach for the identification of several classes of polyphenol derivatives based on ultra-high performance liquid chromatography coupled to high-resolution mass spectrometry was developed. First, mass-spectrometric parameters were optimized in order to obtain a large set of diagnostic product ions for their high-confidence identification. The software Compound Discoverer 3.0 was then implemented with a comprehensive database of 45,567 polyphenol derivatives and with mass-spectrometric data for their building blocks, resulting in a specific tool for the semi-automatic identification of flavonoids, anthocyanins, ellagitannins, proanthocyanidins and phenolic acids. The method was then applied to the identification of polyphenols in industrial hemp (Cannabis sativa), a matrix whose use is recently spreading for pharmaceutical and nutraceutical purposes, resulting in the identification of 147 compounds belonging to the classes of flavonoids, proanthocyanidins and phenolic acids. The proposed method is applicable to the polyphenol profiling of any plant matrix and it is not dependent on data in the literature for their identification, allowing the discovery of compounds which have been never identified before.
KW - Cannabis sativa
KW - Compound Discoverer
KW - High resolution mass spectrometry
KW - Polyphenols
KW - Ultra-high performance liquid chromatography
UR - http://www.scopus.com/inward/record.url?scp=85075898989&partnerID=8YFLogxK
U2 - 10.1016/j.talanta.2019.120573
DO - 10.1016/j.talanta.2019.120573
M3 - Journal article
C2 - 31892002
AN - SCOPUS:85075898989
VL - 209
JO - Talanta
JF - Talanta
SN - 0039-9140
M1 - 120573
ER -
ID: 241049719