Chemical fact sheet: Petunidin 3-rutinoside

Petunidin 3-rutinoside

Basics

Category
Anthocyanidin derivatives
IUPAC-name
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-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
660.14571 g/mol
Molecular weight
No weights stored
Structure
Chemical structure of petunidin 3-rutinoside
Figure 1.1: Chemical structure of petunidin 3-rutinoside

Sources

In summary, the chemical petunidin 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
Sambucus canadensis 'Johns'
1st 2nd
Sambucus canadensis 'York'
1st 2nd

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

References

  1. J. Lee, and C. Finn, "Anthocyanins and other polyphenolics in American elderberry (Sambucus canadensis) and European elderberry (S. nigra) cultivars.," Journal of the Science of Food and Agriculture , vol. 87 , no. 14 , pp. 2665-2675 , DOI: 10.1002/jsfa.3029 .
  2. 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⁺ 625 m/z
MS²⁺ 317
479 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
HPLC-DAD-ESI-MS/MS
Organism
Sambucus canadensis 'Johns'
cultivated
powdered, frozen
Collection dates
2004-7, 2004-8
Sample note
The fruits were harvesed from early July to mid August in 2004 from plants grown at the US Department of Agriculture Agricultural Research Service (USDA-ARS) National Clonal Germplasm Repository in Corvallis, OR, USA. Cultivar Johns is originated from wild selection from Ontario released in NOva Scotia, 1954.
Dried material storage temperature
-20 °C
Extraction solvents
acidified methanol (0.1 % v/v formic acid)
Extraction mass/volume-ratio
167 mg/mL
Extraction repeats
3
Extraction time
30 min
Extract liquid storage temperature
-80 °C
Extract drying method
evaporation under reduced pressure
Extract drying temperature
40 °C
Analysis solvents
distilled water
Detection note
Only traces were detected.
References

J. Lee, and C. Finn, "Anthocyanins and other polyphenolics in American elderberry (Sambucus canadensis) and European elderberry (S. nigra) cultivars.," Journal of the Science of Food and Agriculture , vol. 87 , no. 14 , pp. 2665-2675 , DOI: 10.1002/jsfa.3029 .

Analysis result 2

Detection technique Values Units
M⁺ 625 m/z
MS²⁺ 317
479 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
HPLC-DAD-ESI-MS/MS
Organism
Sambucus canadensis 'Johns'
cultivated
powdered, frozen
Collection dates
2005-8
Sample note
The fruits were harvested in August in 2005 from plants grown at the US Department of Agriculture Agricultural Research Service (USDA-ARS) National Clonal Germplasm Repository in Corvallis, OR, USA. Cultivar Johns is originated from wild selection from Ontario released in NOva Scotia, 1954.
Dried material storage temperature
-20 °C
Extraction solvents
acidified methanol (0.1 % v/v formic acid)
Extraction mass/volume-ratio
167 mg/mL
Extraction repeats
3
Extraction time
30 min
Extract liquid storage temperature
-80 °C
Extract drying method
evaporation under reduced pressure
Extract drying temperature
40 °C
Analysis solvents
distilled water
Detection note
Only traces were detected.
References

J. Lee, and C. Finn, "Anthocyanins and other polyphenolics in American elderberry (Sambucus canadensis) and European elderberry (S. nigra) cultivars.," Journal of the Science of Food and Agriculture , vol. 87 , no. 14 , pp. 2665-2675 , DOI: 10.1002/jsfa.3029 .

Analysis result 3

Detection technique Values Units
M⁺ 625 m/z
MS²⁺ 317
479 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
HPLC-DAD-ESI-MS/MS
Organism
Sambucus canadensis 'York'
cultivated
powdered, frozen
Collection dates
2004-7, 2004-8
Sample note
The fruits were harvesed from early July to mid August in 2004 from plants grown at the US Department of Agriculture Agricultural Research Service (USDA-ARS) National Clonal Germplasm Repository in Corvallis, OR, USA. Cultivar York is a hybrid between cultivars Adams 2 and Ezyoff, released in New York, in 1964.
Dried material storage temperature
-20 °C
Extraction solvents
acidified methanol (0.1 % v/v formic acid)
Extraction mass/volume-ratio
167 mg/mL
Extraction repeats
3
Extraction time
30 min
Extract liquid storage temperature
-80 °C
Extract drying method
evaporation under reduced pressure
Extract drying temperature
40 °C
Analysis solvents
distilled water
Detection note
Only traces were detected.
References

J. Lee, and C. Finn, "Anthocyanins and other polyphenolics in American elderberry (Sambucus canadensis) and European elderberry (S. nigra) cultivars.," Journal of the Science of Food and Agriculture , vol. 87 , no. 14 , pp. 2665-2675 , DOI: 10.1002/jsfa.3029 .

Analysis result 4

Detection technique Values Units
M⁺ 625 m/z
MS²⁺ 317
479 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
HPLC-DAD-ESI-MS/MS
Organism
Sambucus canadensis 'York'
cultivated
powdered, frozen
Collection dates
2005-8
Sample note
The fruits were harvested in August in 2005 from plants grown at the US Department of Agriculture Agricultural Research Service (USDA-ARS) National Clonal Germplasm Repository in Corvallis, OR, USA. Cultivar Johns is originated from wild selection from Ontario released in NOva Scotia, 1954.
Dried material storage temperature
-20 °C
Extraction solvents
acidified methanol (0.1 % v/v formic acid)
Extraction mass/volume-ratio
167 mg/mL
Extraction repeats
3
Extraction time
30 min
Extract liquid storage temperature
-80 °C
Extract drying method
evaporation under reduced pressure
Extract drying temperature
40 °C
Analysis solvents
distilled water
Detection note
Only traces were detected.
References

J. Lee, and C. Finn, "Anthocyanins and other polyphenolics in American elderberry (Sambucus canadensis) and European elderberry (S. nigra) cultivars.," Journal of the Science of Food and Agriculture , vol. 87 , no. 14 , pp. 2665-2675 , DOI: 10.1002/jsfa.3029 .

Analysis result 5

Detection technique Values Units
M⁺ 625 m/z
MS²⁺ 317
479 		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 6

Detection technique Values Units
M⁺ 625 m/z
MS²⁺ 317
479 		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 7

Detection technique Values Units
M⁺ 625 m/z
MS²⁺ 317
479 		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 8

Detection technique Values Units
M⁺ 625 m/z
MS²⁺ 317
479 		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 9

Detection technique Values Units
M⁺ 625 m/z
MS²⁺ 317
479 		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 .