Investigation of Rosa species by an optimized LC-QTOF-MS/MS method using targeted and non-targeted screening strategies combined with multivariate chemometrics.
Phytochem Anal
; 35(5): 1100-1111, 2024 Jul.
Article
em En
| MEDLINE
| ID: mdl-38439140
ABSTRACT
INTRODUCTION:
Plants of the Rosa genus are renowned for their pronounced and pleasant aroma and colors.OBJECTIVE:
The aim of this work was to develop a novel liquid chromatographic triple quadrupole time-of-flight tandem mass spectrometric (LC-QTOF-MS/MS) method for the investigation of the bioactive fingerprint of petals of different genotypes belonging to Rosa damascena and Rosa centifolia species.METHODOLOGY:
Central composite design (CCD) of response surface methodology (RSM) was used for the optimization of the LC-QTOF-MS/MS method. The method was validated and target, suspect, and non-target screening workflows were applied. Statistical analysis and chemometric tools were utilized to explore the metabolic fingerprint of the Rosa species.RESULTS:
RSM revealed that the optimal extraction parameters involved mixing 11 mg of sample with 1 mL of MeOHH2O (7030, v/v). Target analysis confirmed the presence of 11 analytes, all of which demonstrated low limits of quantification (LOQs; as low as 0.048 ng mg-1) and sufficient recoveries (RE 85%-107%). In total, 28 compounds were tentatively identified through suspect analysis. Non-target analysis enabled the generation of robust OPLS-DA and HCA models that classified the samples according to their species with 100% accuracy.CONCLUSIONS:
A novel LC-QTOF-MS/MS method was developed and applied in the analysis of 47 R. centifolia and R. damascena flowers belonging to different genotypes.Palavras-chave
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Rosa
/
Espectrometria de Massas em Tandem
Idioma:
En
Ano de publicação:
2024
Tipo de documento:
Article