Chemical fact sheet: Pelargonidin 3-rutinoside

Pelargonidin 3-rutinoside

Basics

Category
Anthocyanidin derivatives
IUPAC-name
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride
Formula
No formula stored
Exact mass
614.14023 g/mol
Molecular weight
No weights stored
Structure
Chemical structure of pelargonidin 3-rutinoside
Figure 1.1: Chemical structure of pelargonidin 3-rutinoside

Sources

In summary, the chemical pelargonidin 3-rutinoside has been analyzed from following sources:

Ribes nigrum 'Ben Alder'
1st
Ribes nigrum 'Ben Nevis'
1st
Ribes nigrum 'Ben Lomond'
1st
Ribes nigrum 'Ben Tirran'
1st
Ribes nigrum 'Titania'
1st

Note that an analysis result in the database may indicate either presence or lack thereof of a chemical in an analyzed sample.

References

  1. X. Wu, L. Gu, R. Prior, and S. McKay, "Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity," Journal of Agricultural and Food Chemistry , vol. 52 , no. 26 , pp. 7846–7856 , DOI: 10.1021/jf0486850 .

Analysis results

Analysis result 1

Detection technique Values Units
M⁺ 579 m/z
MS²⁺ 271
433 		m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
ion-trap, HPLC-DAD-ESI-MS/MS
Organism
Ribes nigrum 'Ben Alder'
cultivated
dried, powdered
Sample note
The black currants (cultivar Ben Alder) were obtained from Wisley Gardens, Royal Horticultural Society, England.Fresh berry samples were frozen and stored at -20 C until transferred to the Arkansas Children's Nutrition Center, at which time the frozen samples were freeze-dried and ground into powder. The powder was kept at -70 C until analysed.
Drying methods
freeze-dried
Dried material storage temperature
-70 °C
Extraction solvents
MeOH:water:acetic acid (85:15:0,5, v/v)
Extraction mass/volume-ratio
40 mg/mL
Extraction repeats
2
Extraction time
52 min
Analysis solvents
methanol; water; acetic acid
References

X. Wu, L. Gu, R. Prior, and S. McKay, "Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity," Journal of Agricultural and Food Chemistry , vol. 52 , no. 26 , pp. 7846–7856 , DOI: 10.1021/jf0486850 .

Analysis result 2

Detection technique Values Units
M⁺ 579 m/z
MS²⁺ 271
433 		m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
ion-trap, HPLC-DAD-ESI-MS/MS
Organism
Ribes nigrum 'Ben Nevis'
cultivated
dried, powdered
Sample note
The black currants (cultivar Ben Nevis) were obtained from Wisley Gardens, Royal Horticultural Society, England.Fresh berry samples were frozen and stored at -20 C until transferred to the Arkansas Children's Nutrition Center, at which time the frozen samples were freeze-dried and ground into powder. The powder was kept at -70 C until analysed.
Drying methods
freeze-dried
Dried material storage temperature
-70 °C
Extraction solvents
MeOH:water:acetic acid (85:15:0,5, v/v)
Extraction mass/volume-ratio
40 mg/mL
Extraction repeats
2
Extraction time
52 min
Analysis solvents
methanol; water; acetic acid
References

X. Wu, L. Gu, R. Prior, and S. McKay, "Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity," Journal of Agricultural and Food Chemistry , vol. 52 , no. 26 , pp. 7846–7856 , DOI: 10.1021/jf0486850 .

Analysis result 3

Detection technique Values Units
M⁺ 579 m/z
MS²⁺ 271
433 		m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
ion-trap, HPLC-DAD-ESI-MS/MS
Organism
Ribes nigrum 'Ben Lomond'
cultivated
dried, powdered
Sample note
The black currants (cultivar Ben Lomond) were obtained from Wisley Gardens, Royal Horticultural Society, England.Fresh berry samples were frozen and stored at -20 C until transferred to the Arkansas Children's Nutrition Center, at which time the frozen samples were freeze-dried and ground into powder. The powder was kept at -70 C until analysed.
Drying methods
freeze-dried
Dried material storage temperature
-70 °C
Extraction solvents
MeOH:water:acetic acid (85:15:0,5, v/v)
Extraction mass/volume-ratio
40 mg/mL
Extraction repeats
2
Extraction time
52 min
Analysis solvents
methanol; water; acetic acid
References

X. Wu, L. Gu, R. Prior, and S. McKay, "Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity," Journal of Agricultural and Food Chemistry , vol. 52 , no. 26 , pp. 7846–7856 , DOI: 10.1021/jf0486850 .

Analysis result 4

Detection technique Values Units
M⁺ 579 m/z
MS²⁺ 271
433 		m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
ion-trap, HPLC-DAD-ESI-MS/MS
Organism
Ribes nigrum 'Titania'
cultivated
dried, powdered
Sample note
The black currants (cultivar Titania) were obtained from Wisley Gardens, Royal Horticultural Society, England.Fresh berry samples were frozen and stored at -20 C until transferred to the Arkansas Children's Nutrition Center, at which time the frozen samples were freeze-dried and ground into powder. The powder was kept at -70 C until analysed.
Drying methods
freeze-dried
Dried material storage temperature
-70 °C
Extraction solvents
MeOH:water:acetic acid (85:15:0,5, v/v)
Extraction mass/volume-ratio
40 mg/mL
Extraction repeats
2
Extraction time
52 min
Analysis solvents
methanol; water; acetic acid
References

X. Wu, L. Gu, R. Prior, and S. McKay, "Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity," Journal of Agricultural and Food Chemistry , vol. 52 , no. 26 , pp. 7846–7856 , DOI: 10.1021/jf0486850 .

Analysis result 5

Detection technique Values Units
M⁺ 579 m/z
MS²⁺ 271
433 		m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
ion-trap, HPLC-DAD-ESI-MS/MS
Organism
Ribes nigrum 'Ben Tirran'
cultivated
dried, powdered
Sample note
The black currants (cultivar Ben Tirran) were obtained from Wisley Gardens, Royal Horticultural Society, England.Fresh berry samples were frozen and stored at -20 C until transferred to the Arkansas Children's Nutrition Center, at which time the frozen samples were freeze-dried and ground into powder. The powder was kept at -70 C until analysed.
Drying methods
freeze-dried
Dried material storage temperature
-70 °C
Extraction solvents
MeOH:water:acetic acid (85:15:0,5, v/v)
Extraction mass/volume-ratio
40 mg/mL
Extraction repeats
2
Extraction time
52 min
Analysis solvents
methanol; water; acetic acid
References

X. Wu, L. Gu, R. Prior, and S. McKay, "Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity," Journal of Agricultural and Food Chemistry , vol. 52 , no. 26 , pp. 7846–7856 , DOI: 10.1021/jf0486850 .