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Comparative metabolic fingerprinting of Gentiana rhodantha from different geographical origins using LC-UV-MS/MS and multivariate statistical analysis.

Pan Y, Zhang J, Shen T, Zhao YL, Wang YZ, Li WY - BMC Biochem. (2015)

Bottom Line: The most abundant mangiferin (82.21 mg/g) found in sample from Zunyi, Guizhou province.Furthermore, 64 samples according to their geographical origins, could be classified by partial least-squares discriminate analysis (PLS-DA) and nine compounds including two new compounds identified by mass spectrometry could be regarded as characteristic compounds for discriminating samples from different geographical origins.The developed method appears to be a useful tool for analysis of G. rhodantha, which could provide potential indicators for differentiation of different geographical origins.

View Article: PubMed Central - PubMed

Affiliation: Institute of Medicinal Plants, Yunnan Academy of Agricultural Sciences, 2238, Beijing Road, Panlong District, Kunming, 650200, China. panyu412@hotmail.com.

ABSTRACT

Backgrounds: Gentiana rhodantha, a rich source of iridoids and polyphenols, is a traditional ethnomedicine widely used in China. Metabolic fingerprinting based on a LC-UV-MS/MS method was applied to explore the chemical markers for discrimination of G. rhodantha from different geographical origins.

Results: Targeted compounds were separated on a Shim-pack XR-ODS III (150 × 2.0 mm, 2.2 μm), with a mobile phase consisted of acetonitrile and 0.1% formic acid in water, under gradient elution. In quantitative analysis, all of the calibration curves showed good linear regression (R(2) < less than 0.9991) within the tested ranges, and accuracy ranged from 97.8% to 104.2% and the %RSD of precision (less than 3%) were all within the required limits. The most abundant mangiferin (82.21 mg/g) found in sample from Zunyi, Guizhou province. Furthermore, 64 samples according to their geographical origins, could be classified by partial least-squares discriminate analysis (PLS-DA) and nine compounds including two new compounds identified by mass spectrometry could be regarded as characteristic compounds for discriminating samples from different geographical origins.

Conclusions: The developed method appears to be a useful tool for analysis of G. rhodantha, which could provide potential indicators for differentiation of different geographical origins.

No MeSH data available.


Related in: MedlinePlus

Chromatograms at 242 nm for QC sample.
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Fig1: Chromatograms at 242 nm for QC sample.

Mentions: Several types of solvent systems, including methanol–water and acetonitrile-water in various elution modes were tested to reach an optimum separation on the Shim-pack XR-ODS III (150 × 2.0 mm, 2.2 μm). A desirable separation performance was obtained in acetonitrile-water system. Then, 0.1% formic acid was added to the mobile phase to enhance resolution and eliminate peak tailing of the metabolites in fingerprints while enhancing the intensity of adducted molecular ions [M + HCOO]− and protonated molecular ions [M + H]+ in mass spectrometer. Moreover, flow rate and column temperature was set at 0.35 min/ml and 40°C respectively, which could also improve separation efficiency. The UV wavelength was set at 242 nm, because the entire standard compounds had adequate absorptions and fingerprints also exhibited satisfactory performance (Figure 1). The optimization of mass conditions was performed in both positive and negative ionization mode. The mass range in full scanning mode was set as follow: 2–17 min at m/z 110–900 Da, 17–22 min at m/z 900–1800 Da. The critical parameter (CE) in product ions scanning mode was optimized for improving the signal of product ions according to different precursor ion. The MRM settings were auto optimized.Figure 1


Comparative metabolic fingerprinting of Gentiana rhodantha from different geographical origins using LC-UV-MS/MS and multivariate statistical analysis.

Pan Y, Zhang J, Shen T, Zhao YL, Wang YZ, Li WY - BMC Biochem. (2015)

Chromatograms at 242 nm for QC sample.
© Copyright Policy - open-access
Related In: Results  -  Collection

License 1 - License 2
Show All Figures
getmorefigures.php?uid=PMC4390080&req=5

Fig1: Chromatograms at 242 nm for QC sample.
Mentions: Several types of solvent systems, including methanol–water and acetonitrile-water in various elution modes were tested to reach an optimum separation on the Shim-pack XR-ODS III (150 × 2.0 mm, 2.2 μm). A desirable separation performance was obtained in acetonitrile-water system. Then, 0.1% formic acid was added to the mobile phase to enhance resolution and eliminate peak tailing of the metabolites in fingerprints while enhancing the intensity of adducted molecular ions [M + HCOO]− and protonated molecular ions [M + H]+ in mass spectrometer. Moreover, flow rate and column temperature was set at 0.35 min/ml and 40°C respectively, which could also improve separation efficiency. The UV wavelength was set at 242 nm, because the entire standard compounds had adequate absorptions and fingerprints also exhibited satisfactory performance (Figure 1). The optimization of mass conditions was performed in both positive and negative ionization mode. The mass range in full scanning mode was set as follow: 2–17 min at m/z 110–900 Da, 17–22 min at m/z 900–1800 Da. The critical parameter (CE) in product ions scanning mode was optimized for improving the signal of product ions according to different precursor ion. The MRM settings were auto optimized.Figure 1

Bottom Line: The most abundant mangiferin (82.21 mg/g) found in sample from Zunyi, Guizhou province.Furthermore, 64 samples according to their geographical origins, could be classified by partial least-squares discriminate analysis (PLS-DA) and nine compounds including two new compounds identified by mass spectrometry could be regarded as characteristic compounds for discriminating samples from different geographical origins.The developed method appears to be a useful tool for analysis of G. rhodantha, which could provide potential indicators for differentiation of different geographical origins.

View Article: PubMed Central - PubMed

Affiliation: Institute of Medicinal Plants, Yunnan Academy of Agricultural Sciences, 2238, Beijing Road, Panlong District, Kunming, 650200, China. panyu412@hotmail.com.

ABSTRACT

Backgrounds: Gentiana rhodantha, a rich source of iridoids and polyphenols, is a traditional ethnomedicine widely used in China. Metabolic fingerprinting based on a LC-UV-MS/MS method was applied to explore the chemical markers for discrimination of G. rhodantha from different geographical origins.

Results: Targeted compounds were separated on a Shim-pack XR-ODS III (150 × 2.0 mm, 2.2 μm), with a mobile phase consisted of acetonitrile and 0.1% formic acid in water, under gradient elution. In quantitative analysis, all of the calibration curves showed good linear regression (R(2) < less than 0.9991) within the tested ranges, and accuracy ranged from 97.8% to 104.2% and the %RSD of precision (less than 3%) were all within the required limits. The most abundant mangiferin (82.21 mg/g) found in sample from Zunyi, Guizhou province. Furthermore, 64 samples according to their geographical origins, could be classified by partial least-squares discriminate analysis (PLS-DA) and nine compounds including two new compounds identified by mass spectrometry could be regarded as characteristic compounds for discriminating samples from different geographical origins.

Conclusions: The developed method appears to be a useful tool for analysis of G. rhodantha, which could provide potential indicators for differentiation of different geographical origins.

No MeSH data available.


Related in: MedlinePlus