Chemical fact sheet: Quercetin

The BCDB-database is not an authoritative database. This sheet collates data stored for chemical entry quercetin and its related chemical compound entries 3,5,7,3',4'-pentahydroxyflavone .

Quercetin

Basics

Category
Flavone and flavonol derivatives
IUPAC-name
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
Formula
No formula stored
Exact mass
302.04265 g/mol
Molecular weight
302.23000 g/mol
Structure
Chemical structure of quercetin
Figure 1.1: Chemical structure of quercetin

Sources

In summary, the chemical quercetin has been analyzed from following sources:

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

References

  1. Ø. Andersen, and K. Markham, Flavonoids. Chemistry, biochemistry and applications.. CRC Press, 2006
  2. K. Bączek, O. Kosakowska, J. Przybył, E. Pióro-Jabrucka, R. Costa, L. Mondello, M. Gniewosz, A. Synowiec, and Z. Węglarz, "Antibacterial and antioxidant activity of essential oils and extracts from costmary (Tanacetum balsamita L.) and tansy (Tanacetum vulgare L.).," Industrial Crops and Products , vol. 102 , pp. 154–163 , DOI: 10.1016/j.indcrop.2017.03.009 .
  3. G. Chen, X. Li, F. Saleri, and M. Guo, "Analysis of flavonoids in Rhamnus davurica and its antiproliferative effects.," Molecules , vol. 21 , no. 10 , pp. 1275 , DOI: 10.3390/molecules21101275 .
  4. J. Kim, A. Assefa, J. Song, V. Mani, S. Park, S. Lee, K. Lee, D. Kim, and B. Hahn, "Assessment of metabolic profiles in florets of Carthamus species using ultra-performance liquid chromatography-mass spectrometry.," Metabolites , vol. 10 , no. 11 , pp. 440 , DOI: 10.3390/metabo10110440 .
  5. H. Kimura, T. Ishihara, M. Michida, S. Ogawa, T. Akihiro, and K. Yokota, "Identification and quantitative analysis of polyphenolic compounds from the indigo plant (Polygonum tinctorium Lour).," Natural Product Research , vol. 28 , no. 7 , pp. 492–495 , DOI: 10.1080/14786419.2013.871719 .
  6. N. Li, D. Meng, Y. Pan, Q. Cui, G. Li, H. Ni, Y. Sun, D. Qing, X. Jia, Y. Pan, and Y. Hou, "Anti-neuroinflammatory and NQO1 inducing activity of natural phytochemicals from Coreopsis tinctoria.," Journal of Functional Foods , vol. 17 , pp. 837–846 , DOI: 10.1016/j.jff.2015.06.027 .
  7. J. Liu, L. Leng, Y. Liu, H. Gao, W. Yang, S. Chen, and A. Liu, "Identification and quantification of target metabolites combined with transcriptome of two rheum species focused on anthraquinone and flavonoids biosynthesis.," Scientific Reports , vol. 10 , no. 1 , pp. 20241 , DOI: 10.1038/s41598-020-77356-9 .
  8. M. Natić, D. Dabić, A. Papetti, M. Fotirić Akšić, V. Ognjanov, M. Ljubojević, and Ž. Tešić, "Analysis and characterisation of phytochemicals in mulberry (Morus alba L.) fruits grown in Vojvodina, North Serbia.," Food Chemistry , vol. 171 , pp. 128–136 , DOI: 10.1016/j.foodchem.2014.08.101 .
  9. A. Nile, S. Hariram Nile, D. Kim, Y. Soo Keum, P. Seok, and K. Sharma, "Valorization of onion solid waste and their flavonols for assessment of cytotoxicity, enzyme inhibitory and antioxidant activities," Food and Chemical Toxicology , vol. 119 , pp. 281-289 , DOI: 10.1016/j.fct.2018.02.056 .
  10. M. Pandey, A. Singh, U. Singh, S. Singh, and V. Pandey, "A new chalcone glycoside from Rhamnus nipalensis.," Natural Product Research , vol. 22 , no. 18 , pp. 1657–1659 , DOI: 10.1080/14786410701876635 .
  11. S. Shi, Y. Zhao, H. Zhou, Y. Zhang, X. Jiang, and K. Huang, "Identification of antioxidants from Taraxacum mongolicum by high-performance liquid chromatography–diode array detection–radical scavenging detection–electrospray ionization mass spectrometry and nuclear magnetic resonance experiments.," Journal of Chromatography A , vol. 1209 , pp. 145–152 , DOI: 10.1016/j.chroma.2008.09.004 .
  12. N. Simin, D. Orcic, D. Cetojevic-Simin, N. Mimica-Dukic, G. Anackov, I. Beara, D. Mitic-Culafic, and B. Bozin, "Phenolic profile, antioxidant, anti-inflammatory and cytotoxic activities of small yellow onion (Allium flavum L. subsp. flavum, Alliaceae)," LWT - Food Science and Technology , vol. 54 , no. 1 , pp. 139–146 , DOI: 10.1016/j.lwt.2013.05.023 .
  13. I. Tedesco, V. Carbone, C. Spagnuolo, P. Minasi, and G. Russo, "Identification and quantification of flavonoids from two southern Italian cultivars of Allium cepa L., Tropea (red onion) and Montoro (copper onion), and their capacity to protect human erythrocytes from oxidative stress.," Journal of Agricultural and Food Chemistry , vol. 63 , pp. 5229–5238 , DOI: 10.1021/acs.jafc.5b01206 .
  14. G. Zengin, A. Cvetanonović, U. Gašić, A. Stupar, G. Bulut, I. Şenkardes, A. Dogan, K. Sinan, Z. Aumeeruddy-Elalfi, A. Aktumsek, and M. Mahomoodally, "Modern and traditional extraction techniques affect chemical composition and bioactivity of Tanacetum parthenium (L.) Sch. Bip.," Industrial Crops and Products , vol. 146 , pp. 112202 , DOI: 10.1016/j.indcrop.2020.112202 .

Analysis results

Analysis result 1

STD
True
TLC
False
UV/Vis detector description
HPLC-PDA
Mass spectrometer description
Organism
Tanacetum balsamita  L.
cultivated
dried, powdered
Sample note
Plant raw materials, herbs of T. balsamita, at full flowering state; were obtained from the Botanical Garden of Medicinal and Aromatic Plants (Koryciny, Poland). Voucher specimen were deposited at herbarium of Warsaw Universit of Life Sciences, WULS-SGGW, Poland.
Drying methods
air-dried, dark
Drying temperature
35 °C
Extraction solvents
ethanol:water, 40:60, v/v
Extraction mass/volume-ratio
100 mg/mL
Extraction repeats
10
Extraction time
5 h 10 min
Extract liquid storage temperature
-80 °C
Extract drying method
concentration under vacuum
Dried extract storage temperature
4 °C
Analysis solvents
MeOH
References

K. Bączek, O. Kosakowska, J. Przybył, E. Pióro-Jabrucka, R. Costa, L. Mondello, M. Gniewosz, A. Synowiec, and Z. Węglarz, "Antibacterial and antioxidant activity of essential oils and extracts from costmary (Tanacetum balsamita L.) and tansy (Tanacetum vulgare L.).," Industrial Crops and Products , vol. 102 , pp. 154–163 , DOI: 10.1016/j.indcrop.2017.03.009 .

Analysis result 2

STD
True
TLC
False
UV/Vis detector description
HPLC-PDA
Mass spectrometer description
Organism
Tanacetum vulgare  L.
cultivated
dried, powdered
Sample note
Plant raw materials, herbs of T. vulgare, at full flowering state; were obtained from the Botanical Garden of Medicinal and Aromatic Plants (Koryciny, Poland). Voucher specimen were deposited at herbarium of Warsaw Universit of Life Sciences, WULS-SGGW, Poland.
Drying methods
air-dried, dark
Drying temperature
35 °C
Extraction solvents
ethanol:water, 40:60, v/v
Extraction mass/volume-ratio
100 mg/mL
Extraction repeats
10
Extraction time
5 h 10 min
Extract liquid storage temperature
-80 °C
Extract drying method
concentration under vacuum
Dried extract storage temperature
4 °C
Analysis solvents
MeOH
References

K. Bączek, O. Kosakowska, J. Przybył, E. Pióro-Jabrucka, R. Costa, L. Mondello, M. Gniewosz, A. Synowiec, and Z. Węglarz, "Antibacterial and antioxidant activity of essential oils and extracts from costmary (Tanacetum balsamita L.) and tansy (Tanacetum vulgare L.).," Industrial Crops and Products , vol. 102 , pp. 154–163 , DOI: 10.1016/j.indcrop.2017.03.009 .

Analysis result 3

Detection technique Values Units
[M⁻ H]⁻ 301 m/z
MS²⁻ 107
121
151
179
229
273
301
m/z
STD
True
TLC
False
UV/Vis detector description
Mass spectrometer description
ESI-MS/MS
Organism
Rhamnus davurica  Pall.
dried, powdered
Sample note
The authentication and identification of the barks of Rhamnus davurica was performed with the researchers of this study which were assisted by the taxonomist Quangwan Hu from Key Laboratory of Plant Germplasm Enhancement and Specialty Agriculture (Wuhan Botanicl Garden), Chinese Academy of Sciences. A voucher specimen (No. 0031) was deposited in the herbarium of the Key Laboratory.
Drying temperature
40 °C
Dried material storage temperature
4 °C
Dried material storage notes
the samples were packed in sealed polyethylene bags; stored in a refrigerator until use; dark
Extraction solvents
60 % ethanol
Extraction repeats
3
Extraction time
1 h 30 min
Extraction temperature
20±5 °C
Extract drying method
evaporation under reduced pressure
Extract drying temperature
40 °C
Dried extract storage temperature
4 °C
Analysis solvents
MeOH
References

G. Chen, X. Li, F. Saleri, and M. Guo, "Analysis of flavonoids in Rhamnus davurica and its antiproliferative effects.," Molecules , vol. 21 , no. 10 , pp. 1275 , DOI: 10.3390/molecules21101275 .

Analysis result 4

STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
UHPLC-ESI-QTOF-MS, quadrupole time-of-flight
Organism
Carthamus tinctorius  L.
cultivated
dried, frozen
Sample note
The material (Accession Number 592391) were obtained from USDA National Plant Germplasm system. The seeds were planted and cultivated in a greenhouse at 18-25 °C located at the National Institute of Agricultural Sciences, Jeonju, Korea. The collecting (by hand) of of florets of early stage samples started approximately 12 weeks after seed planting. These EARLY STAGE flower samples were collected before the beginning of the flowering, when the upper portion of the florets were about to emerge through the bracts. The samples wer snap-frozen using liquid nitrogen, the freeze--dried and stored at -80 ° until further processing. Visually seen, there was not yet much color in flowers, only white and light yellow hues. The length of spine was very short. The leaf shape was lanceolate.
Drying methods
freeze-dried
Dried material storage temperature
-80 °C
Extraction solvents
70 % methanol
Extraction mass/volume-ratio
25 mg/mL
Extraction repeats
5
Extraction time
35 min
Extraction temperature
4 °C
Analysis solvents
70 % methanol
Detection note
The exact mass was obtained.
References

J. Kim, A. Assefa, J. Song, V. Mani, S. Park, S. Lee, K. Lee, D. Kim, and B. Hahn, "Assessment of metabolic profiles in florets of Carthamus species using ultra-performance liquid chromatography-mass spectrometry.," Metabolites , vol. 10 , no. 11 , pp. 440 , DOI: 10.3390/metabo10110440 .

Analysis result 5

STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
UHPLC-ESI-QTOF-MS, quadrupole time-of-flight
Organism
Carthamus tinctorius  L.
cultivated
dried, frozen
Sample note
The material (Accession Number 592391) were obtained from USDA National Plant Germplasm system. The seeds were planted and cultivated in a greenhouse at 18-25 °C located at the National Institute of Agricultural Sciences, Jeonju, Korea.These MIDDLE STAGE flower samples were collected when flowering was considered complete, i.e. more than 90 % of the florets were open. The florets were orange(-yellow).
Drying methods
freeze-dried
Dried material storage temperature
-80 °C
Extraction solvents
70 % methanol
Extraction mass/volume-ratio
25 mg/mL
Extraction repeats
5
Extraction time
35 min
Extraction temperature
4 °C
Analysis solvents
70 % methanol
Detection note
The exact mass was obtained.
References

J. Kim, A. Assefa, J. Song, V. Mani, S. Park, S. Lee, K. Lee, D. Kim, and B. Hahn, "Assessment of metabolic profiles in florets of Carthamus species using ultra-performance liquid chromatography-mass spectrometry.," Metabolites , vol. 10 , no. 11 , pp. 440 , DOI: 10.3390/metabo10110440 .

Analysis result 6

STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
UHPLC-ESI-QTOF-MS, quadrupole time-of-flight
Organism
Carthamus tinctorius  L.
cultivated
dried, frozen
Sample note
The material (Accession Number 592391) were obtained from USDA National Plant Germplasm system. The seeds were planted and cultivated in a greenhouse at 18-25 °C located at the National Institute of Agricultural Sciences, Jeonju, Korea.These LATE STAGE flower samples were collected when the capitulum begins to expand and the seeds are about to start developing. The florets start to change color to orange/red.
Drying methods
freeze-dried
Dried material storage temperature
-80 °C
Extraction solvents
70 % methanol
Extraction mass/volume-ratio
25 mg/mL
Extraction repeats
5
Extraction time
35 min
Extraction temperature
4 °C
Analysis solvents
70 % methanol
Detection note
The exact mass was obtained.
References

J. Kim, A. Assefa, J. Song, V. Mani, S. Park, S. Lee, K. Lee, D. Kim, and B. Hahn, "Assessment of metabolic profiles in florets of Carthamus species using ultra-performance liquid chromatography-mass spectrometry.," Metabolites , vol. 10 , no. 11 , pp. 440 , DOI: 10.3390/metabo10110440 .

Analysis result 7

STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
UHPLC-ESI-QTOF-MS, quadrupole time-of-flight
Organism
Carthamus palaestinus  L.
wild
dried, frozen
Sample note
The material (Accession Number 235663) were obtained from USDA National Plant Germplasm system. The seeds were planted and cultivated in a greenhouse at 18-25 °C located at the National Institute of Agricultural Sciences, Jeonju, Korea. The collecting (by hand) of of florets of early stage samples started approximately 12 weeks after seed planting. These EARLY STAGE flower samples were collected before the beginning of the flowering, when the upper portion of the florets were about to emerge through the bracts. The samples wer snap-frozen using liquid nitrogen, the freeze--dried and stored at -80 ° until further processing. Visually seen, there was not yet much color in flowers, only white and light yellow hues. The length of spine was very short. The leaf shape was lanceolate.
Drying methods
freeze-dried
Dried material storage temperature
-80 °C
Extraction solvents
70 % methanol
Extraction mass/volume-ratio
25 mg/mL
Extraction repeats
5
Extraction time
35 min
Extraction temperature
4 °C
Analysis solvents
70 % methanol
Detection note
The exact mass was obtained.
References

J. Kim, A. Assefa, J. Song, V. Mani, S. Park, S. Lee, K. Lee, D. Kim, and B. Hahn, "Assessment of metabolic profiles in florets of Carthamus species using ultra-performance liquid chromatography-mass spectrometry.," Metabolites , vol. 10 , no. 11 , pp. 440 , DOI: 10.3390/metabo10110440 .

Analysis result 8

STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
UHPLC-ESI-QTOF-MS, quadrupole time-of-flight
Organism
Carthamus palaestinus  L.
wild
dried, frozen
Sample note
The material (Accession Number 235663) were obtained from USDA National Plant Germplasm system. The seeds were planted and cultivated in a greenhouse at 18-25 °C located at the National Institute of Agricultural Sciences, Jeonju, Korea.These MIDDLE STAGE flower samples were collected when flowering was considered complete, i.e. more than 90 % of the florets were open. The florets were orange(-yellow).
Drying methods
freeze-dried
Dried material storage temperature
-80 °C
Extraction solvents
70 % methanol
Extraction mass/volume-ratio
25 mg/mL
Extraction repeats
5
Extraction time
35 min
Extraction temperature
4 °C
Analysis solvents
70 % methanol
Detection note
The exact mass was obtained.
References

J. Kim, A. Assefa, J. Song, V. Mani, S. Park, S. Lee, K. Lee, D. Kim, and B. Hahn, "Assessment of metabolic profiles in florets of Carthamus species using ultra-performance liquid chromatography-mass spectrometry.," Metabolites , vol. 10 , no. 11 , pp. 440 , DOI: 10.3390/metabo10110440 .

Analysis result 9

STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
UHPLC-ESI-QTOF-MS, quadrupole time-of-flight
Organism
Carthamus palaestinus  L.
wild
dried, frozen
Sample note
The material (Accession Number 235663) were obtained from USDA National Plant Germplasm system. The seeds were planted and cultivated in a greenhouse at 18-25 °C located at the National Institute of Agricultural Sciences, Jeonju, Korea.These LATE STAGE flower samples were collected when the capitulum begins to expand and the seeds are about to start developing. The florets start to change color to orange/red.
Drying methods
freeze-dried
Dried material storage temperature
-80 °C
Extraction solvents
70 % methanol
Extraction mass/volume-ratio
25 mg/mL
Extraction repeats
5
Extraction time
35 min
Extraction temperature
4 °C
Analysis solvents
70 % methanol
Detection note
The exact mass was obtained.
References

J. Kim, A. Assefa, J. Song, V. Mani, S. Park, S. Lee, K. Lee, D. Kim, and B. Hahn, "Assessment of metabolic profiles in florets of Carthamus species using ultra-performance liquid chromatography-mass spectrometry.," Metabolites , vol. 10 , no. 11 , pp. 440 , DOI: 10.3390/metabo10110440 .

Analysis result 10

STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
UHPLC-ESI-QTOF-MS, quadrupole time-of-flight
Organism
Carthamus lanatus  L.
wild
dried, frozen
Sample note
The material (Accession Number W6 16791) were obtained from USDA National Plant Germplasm system. The seeds were planted and cultivated in a greenhouse at 18-25 °C located at the National Institute of Agricultural Sciences, Jeonju, Korea. The collecting (by hand) of of florets of early stage samples started approximately 12 weeks after seed planting. These EARLY STAGE flower samples were collected before the beginning of the flowering, when the upper portion of the florets were about to emerge through the bracts. The samples wer snap-frozen using liquid nitrogen, the freeze--dried and stored at -80 ° until further processing. Visually seen, there was not yet much color in flowers, only white and light yellow hues. The leaf shape was lanceolate.
Drying methods
freeze-dried
Dried material storage temperature
-80 °C
Extraction solvents
70 % methanol
Extraction mass/volume-ratio
25 mg/mL
Extraction repeats
5
Extraction time
35 min
Extraction temperature
4 °C
Analysis solvents
70 % methanol
References

J. Kim, A. Assefa, J. Song, V. Mani, S. Park, S. Lee, K. Lee, D. Kim, and B. Hahn, "Assessment of metabolic profiles in florets of Carthamus species using ultra-performance liquid chromatography-mass spectrometry.," Metabolites , vol. 10 , no. 11 , pp. 440 , DOI: 10.3390/metabo10110440 .

Analysis result 11

STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
UHPLC-ESI-QTOF-MS, quadrupole time-of-flight
Organism
Carthamus lanatus  L.
wild
dried, frozen
Sample note
The material (Accession Number W6 16791) were obtained from USDA National Plant Germplasm system. The seeds were planted and cultivated in a greenhouse at 18-25 °C located at the National Institute of Agricultural Sciences, Jeonju, Korea.These MIDDLE STAGE flower samples were collected when flowering was considered complete, i.e. more than 90 % of the florets were open. The florets were yellow and the pistils became orange as the development proceeded, and the colour started to change gradually yellos/red.
Drying methods
freeze-dried
Dried material storage temperature
-80 °C
Extraction solvents
70 % methanol
Extraction mass/volume-ratio
25 mg/mL
Extraction repeats
5
Extraction time
35 min
Extraction temperature
4 °C
Analysis solvents
70 % methanol
References

J. Kim, A. Assefa, J. Song, V. Mani, S. Park, S. Lee, K. Lee, D. Kim, and B. Hahn, "Assessment of metabolic profiles in florets of Carthamus species using ultra-performance liquid chromatography-mass spectrometry.," Metabolites , vol. 10 , no. 11 , pp. 440 , DOI: 10.3390/metabo10110440 .

Analysis result 12

STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
UHPLC-ESI-QTOF-MS, quadrupole time-of-flight
Organism
Carthamus lanatus  L.
wild
dried, frozen
Sample note
The material (Accession Number W6 16791)) were obtained from USDA National Plant Germplasm system. The seeds were planted and cultivated in a greenhouse at 18-25 °C located at the National Institute of Agricultural Sciences, Jeonju, Korea.These LATE STAGE flower samples were collected when the capitulum begins to expand and the seeds are about to start developing. The florets start to change color to yellow&/red. The pistils became orange as the development proceeded.
Drying methods
freeze-dried
Dried material storage temperature
-80 °C
Extraction solvents
70 % methanol
Extraction mass/volume-ratio
25 mg/mL
Extraction repeats
5
Extraction time
35 min
Extraction temperature
4 °C
Analysis solvents
70 % methanol
References

J. Kim, A. Assefa, J. Song, V. Mani, S. Park, S. Lee, K. Lee, D. Kim, and B. Hahn, "Assessment of metabolic profiles in florets of Carthamus species using ultra-performance liquid chromatography-mass spectrometry.," Metabolites , vol. 10 , no. 11 , pp. 440 , DOI: 10.3390/metabo10110440 .

Analysis result 13

Detection technique Values Units
[M⁻ H]⁻ 301 m/z
STD
True
TLC
False
UV/Vis detector description
photodiode array (PDA)
Mass spectrometer description
UPLC-ESI/MS
Organism
Polygonum tinctorium
cultivated
ground into 5-mm pieces, fresh, ground
Collection dates
2012
Sample note
The species was confirmed by Professor Shuji Hamasaki et Shimane Prefectual College for Agriculture and Forestry (Ohda, Shimane, Japan). The voucher specimen (voucher number 12001) were deposited in the laboratory of the Department of Research and Development, Kotobuki Seika, Japan).
Extraction solvents
methanol
Extraction mass/volume-ratio
333.3 mg/mL
Extraction repeats
1
Extraction time
3 h
Extraction temperature
20±5 °C
Extract drying method
evaporation to dryness by a rotatory evaporator
Extract drying temperature
40 °C
Analysis solvents
50 % MeOH, 100 % MeOH
References

H. Kimura, T. Ishihara, M. Michida, S. Ogawa, T. Akihiro, and K. Yokota, "Identification and quantitative analysis of polyphenolic compounds from the indigo plant (Polygonum tinctorium Lour).," Natural Product Research , vol. 28 , no. 7 , pp. 492–495 , DOI: 10.1080/14786419.2013.871719 .

Analysis result 14

Detection technique Values Units
[M⁻ H]⁻ 301 m/z
STD
False
TLC
False
UV/Vis detector description
UPLC-PDA
Mass spectrometer description
HR-ESI-MS
Organism
Coreopsis tinctoria  Nutt.
dried, powdered
Sample note
The flowers were collected in Xinjiang and identified by Professor Xiaoguang Jia, XinJian Institute of Chinese Materia Medica, Urumqi, China. The voucher specimen (No. 20120827) is deposited in the School of Traditional Chinese Material Medica, Shenyang Pharmaceutical University. Before extraction, the air-dried flowers were powdered (100mesh).
Drying methods
air-dried
Extraction solvents
95 % ethanol, ethyl acetate
Extraction repeats
1
Extract drying method
under reduced pressure
Analysis solvents
methanol
Detection note
Yellow powder was obtained.
References

N. Li, D. Meng, Y. Pan, Q. Cui, G. Li, H. Ni, Y. Sun, D. Qing, X. Jia, Y. Pan, and Y. Hou, "Anti-neuroinflammatory and NQO1 inducing activity of natural phytochemicals from Coreopsis tinctoria.," Journal of Functional Foods , vol. 17 , pp. 837–846 , DOI: 10.1016/j.jff.2015.06.027 .

Analysis result 15

Detection technique Values Units
[M⁺ H]⁺ 303.10000 m/z
MS²⁺ 153.10000 m/z
[M⁻ H]⁻ 301.10000 m/z
MS²⁻ 151.10000 m/z
STD
True
TLC
False
UV/Vis detector description
UV/Vis
Mass spectrometer description
UPLC-ESI-Q-TOF-MS/MS
Organism
Rheum officinale  Baill.
cultivated
fresh, powdered
Sample note
The identification of Rheum officinale from the collected rhizome specimens were conducted by Prof. Li Xiang at the Institute of Chinese Materia Medica, China Academy of Chinese Medical Science, Beijing, China.
Dried material storage temperature
-80 °C
Extraction solvents
methanol
Extraction repeats
1
Extraction temperature
4 °C
Analysis solvents
methanol
References

J. Liu, L. Leng, Y. Liu, H. Gao, W. Yang, S. Chen, and A. Liu, "Identification and quantification of target metabolites combined with transcriptome of two rheum species focused on anthraquinone and flavonoids biosynthesis.," Scientific Reports , vol. 10 , no. 1 , pp. 20241 , DOI: 10.1038/s41598-020-77356-9 .

Analysis result 16

Detection technique Values Units
[M⁺ H]⁺ 303.10000 m/z
MS²⁺ 153.10000 m/z
[M⁻ H]⁻ 301.10000 m/z
MS²⁻ 151.10000 m/z
STD
True
TLC
False
UV/Vis detector description
UV/Vis
Mass spectrometer description
UPLC-ESI-Q-TOF-MS/MS
Organism
Rheum palmatum  L.
cultivated
fresh, powdered
Sample note
The identification of Rheum palmatum from the collected rhizome specimens were conducted by Prof. Li Xiang at the Institute of Chinese Materia Medica, China Academy of Chinese Medical Science, Beijing, China.
Dried material storage temperature
-80 °C
Extraction solvents
methanol
Extraction repeats
1
Extraction temperature
4 °C
Analysis solvents
methanol
References

J. Liu, L. Leng, Y. Liu, H. Gao, W. Yang, S. Chen, and A. Liu, "Identification and quantification of target metabolites combined with transcriptome of two rheum species focused on anthraquinone and flavonoids biosynthesis.," Scientific Reports , vol. 10 , no. 1 , pp. 20241 , DOI: 10.1038/s41598-020-77356-9 .

Analysis result 17

Detection technique Values Units
[M⁻ H]⁻ 301.03500 m/z
MS²⁻ 151
179
257
273
m/z
STD
False
TLC
False
UV/Vis detector description
UHPLC-DAD
Mass spectrometer description
UHPLC-DAD-MS/MS, triple-quadrupole, LTQ (linear trap quadrupole), high resolution mass spectrometer (UHPLC OrbiTrap MS), heated electrospray ionization (HESI)
Organism
Morus alba  L.
cultivated
homogenized, frozen
Collection dates
2011-6
Sample note
The black coloured fruits from one genotype from the location Palanka, North Serbia were collected by the researchers. Each genotype as represented by one tree, and each sample was taken from one individual plant. The tree was over 30 years old and originated from seed. All berries were picked at the biologically ripe stage. The berries were picked cardinally-oriented branches with different directions arond the canopy. Harvest time was between 10 and 20th June 2011. After picking, the fruits were stored at -20C until chemical analysis.
Dried material storage temperature
-20 °C
Extraction solvents
methanol containing 0.1% HCl
Extraction mass/volume-ratio
25 mg/mL
Extraction repeats
4
Extraction time
4 d 4 h
Extract drying method
evaporation under reduced pressure
Extract drying temperature
40 °C
Analysis solvents
MeOH:water (60:40)
Detection note
MS2 fragments (% base peak): 179 (100), 151 (70), 273 (20), 257 (20)
References

M. Natić, D. Dabić, A. Papetti, M. Fotirić Akšić, V. Ognjanov, M. Ljubojević, and Ž. Tešić, "Analysis and characterisation of phytochemicals in mulberry (Morus alba L.) fruits grown in Vojvodina, North Serbia.," Food Chemistry , vol. 171 , pp. 128–136 , DOI: 10.1016/j.foodchem.2014.08.101 .

Analysis result 18

Detection technique Values Units
[M⁻ H]⁻ 301.03500 m/z
MS²⁻ 151
179
257
273
m/z
STD
False
TLC
False
UV/Vis detector description
UHPLC-DAD
Mass spectrometer description
UHPLC-DAD-MS/MS, triple-quadrupole, LTQ (linear trap quadrupole), high resolution mass spectrometer (UHPLC OrbiTrap MS), heated electrospray ionization (HESI)
Organism
Morus alba  L.
cultivated
homogenized, frozen
Collection dates
2011-6
Sample note
The black coloured fruits from one genotype from the location Novi Sad, North Serbia were collected by the researchers. Each genotype as represented by one tree, and each sample was taken from one individual plant. The tree was over 30 years old and originated from seed. All berries were picked at the biologically ripe stage. The berries were picked cardinally-oriented branches with different directions arond the canopy. Harvest time was between 10 and 20th June 2011. After picking, the fruits were stored at -20C until chemical analysis.
Dried material storage temperature
-20 °C
Extraction solvents
methanol containing 0.1% HCl
Extraction mass/volume-ratio
25 mg/mL
Extraction repeats
4
Extraction time
4 d 4 h
Extract drying method
evaporation under reduced pressure
Extract drying temperature
40 °C
Analysis solvents
MeOH:water (60:40)
Detection note
MS2 fragments (% base peak): 179 (100), 151 (70), 273 (20), 257 (20)
References

M. Natić, D. Dabić, A. Papetti, M. Fotirić Akšić, V. Ognjanov, M. Ljubojević, and Ž. Tešić, "Analysis and characterisation of phytochemicals in mulberry (Morus alba L.) fruits grown in Vojvodina, North Serbia.," Food Chemistry , vol. 171 , pp. 128–136 , DOI: 10.1016/j.foodchem.2014.08.101 .

Analysis result 19

Detection technique Values Units
UV/Vis 255.50
370.50
nm
STD
True
TLC
False
UV/Vis detector description
HPLC-DAD, UV
Mass spectrometer description
UHPLC-TOF-MS, HR-MS
Organism
Allium cepa 'Sunpower'  L.
cultivated
milled
Sample note
Onion solid waste was obtained from Mokpo Experimental Station, National Institute of Crop Science, Muan, Republic of Korea, from processed yellow onion (A. cepa, cv. Sunpower) bulbs. Solid waste consisted of the edible dry outer layers and apical and basal trimming of onions.
Drying methods
freeze-dried
Dried material storage temperature
-20 °C
Extraction solvents
80 % methanol
Extraction mass/volume-ratio
200 mg/mL
Extraction time
2 d 2 h
Extraction temperature
30 °C
Extract drying method
rotary evaporation
Extract drying temperature
60 °C
Analysis solvents
EtOH:water; ethyl acetate
References

A. Nile, S. Hariram Nile, D. Kim, Y. Soo Keum, P. Seok, and K. Sharma, "Valorization of onion solid waste and their flavonols for assessment of cytotoxicity, enzyme inhibitory and antioxidant activities," Food and Chemical Toxicology , vol. 119 , pp. 281-289 , DOI: 10.1016/j.fct.2018.02.056 .

Analysis result 20

STD
True
TLC
False
UV/Vis detector description
UV
Mass spectrometer description
EI-HRMS
Organism
Rhamnus nipalensis  Laws
wild
as whole, dried, all parts
Sample note
The authenticity of Rhamnus nipalensis was verified by Prof. NK Dubey of the Department of Botany, Banaras Hindu University, Varanasi. A specimen voucher of the plant is kept in the Department.
Extraction solvents
methanol
Extraction temperature
25 °C
Analysis solvents
MeOH
Detection note
The authors referred: Tripathi YC, Devi S, Pandey VB & Shah AH. 1988. Phytochemical study of Zizyphus rugosa. Fitoterapia, LIX, 158.
References

M. Pandey, A. Singh, U. Singh, S. Singh, and V. Pandey, "A new chalcone glycoside from Rhamnus nipalensis.," Natural Product Research , vol. 22 , no. 18 , pp. 1657–1659 , DOI: 10.1080/14786410701876635 .

Analysis result 21

Detection technique Values Units
UV/Vis 262
370
nm
[M⁻ H]⁻ 301 m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD, diode array detector
Mass spectrometer description
HPLC-ESI-MS, HPLC-DAD-ESI-MS
Organism
Taraxacum mongolicum  Hand.-Mazz.
wild
ground, dried
Sample note
The aerial part of Taraxacum mongolicum Hand.-Mazz. was identified by Prof. Liurong Chen. The voucher specimen (TM20041-02) was deposited in Department of Traditional Chinese Medicine and Natural Drug Research, College of Pharmaceutical Sciences, Zheijiang University.
Drying methods
air-dried
Drying temperature
50 °C
Extraction solvents
methanol
Extraction mass/volume-ratio
100 mg/mL
Extraction repeats
3
Extraction time
4 h 30 min
Extract drying method
concentration under reduced pressure
Extract drying temperature
45 °C
Dried extract storage temperature
4 °C
Analysis solvents
MeOH
References

S. Shi, Y. Zhao, H. Zhou, Y. Zhang, X. Jiang, and K. Huang, "Identification of antioxidants from Taraxacum mongolicum by high-performance liquid chromatography–diode array detection–radical scavenging detection–electrospray ionization mass spectrometry and nuclear magnetic resonance experiments.," Journal of Chromatography A , vol. 1209 , pp. 145–152 , DOI: 10.1016/j.chroma.2008.09.004 .

Analysis result 22

Detection technique Values Units
[M⁻ H]⁻ 301 m/z
MS²⁻ 151 m/z
STD
True
TLC
False
UV/Vis detector description
Mass spectrometer description
LC-ESI-MS/MS, triple-quadrupole mass spectrometer
Organism
Allium flavum subsp. flavum  L.
wild
ground, dried
Sample note
The whole plants (aerial parts, bulbs) of wild-growing A. flavum subsp. flavum were collected in Serbia. The voucher specimens were prepared, identified and deposited at the Herbarium of the Department of Biology and Ecology (BUNS Herbarium), University of Novi Sad, Faculty of Sciences. The code of the specimens from Dimitrograd was no. 2-1765. The aerial parts were analysed in this group.
Drying methods
air-dried
Extraction solvents
70 % aqueous methanol
Extraction mass/volume-ratio
125 mg/mL
Extraction repeats
1
Extraction time
3 d
Extraction temperature
30 °C
Extract drying method
rotary evaporation under vacuum
Extract drying temperature
45 °C
Analysis solvents
70 % aqueous MeOH; 0.5 % formic acid : MeOH (7 : 3)
Detection note
The precursor and product ions (m/z), respectively, are presented from the standard of this compound in the quantitative MS/MS-analysis.
References

N. Simin, D. Orcic, D. Cetojevic-Simin, N. Mimica-Dukic, G. Anackov, I. Beara, D. Mitic-Culafic, and B. Bozin, "Phenolic profile, antioxidant, anti-inflammatory and cytotoxic activities of small yellow onion (Allium flavum L. subsp. flavum, Alliaceae)," LWT - Food Science and Technology , vol. 54 , no. 1 , pp. 139–146 , DOI: 10.1016/j.lwt.2013.05.023 .

Analysis result 23

Detection technique Values Units
[M⁻ H]⁻ 301 : ND m/z
STD
True
TLC
False
UV/Vis detector description
Mass spectrometer description
LC-ESI-MS/MS, triple-quadrupole mass spectrometer
Organism
Allium flavum subsp. flavum  L.
wild
ground, dried
Sample note
The whole plants (aerial parts, bulbs) of wild-growing A. flavum subsp. flavum were collected in Serbia. The voucher specimens were prepared, identified and deposited at the Herbarium of the Department of Biology and Ecology (BUNS Herbarium), University of Novi Sad, Faculty of Sciences. The code of the specimens from Dimitrograd was no. 2-1765. The bulbs were analysed in this group.
Drying methods
air-dried
Extraction solvents
70 % aqueous methanol
Extraction mass/volume-ratio
125 mg/mL
Extraction repeats
1
Extraction time
3 d
Extraction temperature
30 °C
Extract drying method
rotary evaporation under vacuum
Extract drying temperature
45 °C
Analysis solvents
70 % aqueous MeOH; 0.5 % formic acid : MeOH (7 : 3)
Detection note
Quercetin was not detected in the bulbs, contrary to the aerial parts in this onion taxa.
References

N. Simin, D. Orcic, D. Cetojevic-Simin, N. Mimica-Dukic, G. Anackov, I. Beara, D. Mitic-Culafic, and B. Bozin, "Phenolic profile, antioxidant, anti-inflammatory and cytotoxic activities of small yellow onion (Allium flavum L. subsp. flavum, Alliaceae)," LWT - Food Science and Technology , vol. 54 , no. 1 , pp. 139–146 , DOI: 10.1016/j.lwt.2013.05.023 .

Analysis result 24

Detection technique Values Units
[M⁻ H]⁻ 301 m/z
MS²⁻ 151 m/z
STD
True
TLC
False
UV/Vis detector description
Mass spectrometer description
LC-ESI-MS/MS, triple-quadrupole mass spectrometer
Organism
Allium flavum subsp. flavum  L.
wild
ground, dried
Sample note
The whole plants (aerial parts, bulbs) of wild-growing A. flavum subsp. flavum were collected in Serbia. The voucher specimens were prepared, identified and deposited at the Herbarium of the Department of Biology and Ecology (BUNS Herbarium), University of Novi Sad, Faculty of Sciences. The code of the specimens from Babusnica was no. 2-1767. The aerial parts were analysed in this group.
Drying methods
air-dried
Extraction solvents
70 % aqueous methanol
Extraction mass/volume-ratio
125 mg/mL
Extraction repeats
1
Extraction time
3 d
Extraction temperature
30 °C
Extract drying method
rotary evaporation under vacuum
Extract drying temperature
45 °C
Analysis solvents
70 % aqueous MeOH; 0.5 % formic acid : MeOH (7 : 3)
Detection note
The precursor and product ions (m/z), respectively, are presented from the standard of this compound in the quantitative MS/MS-analysis.
References

N. Simin, D. Orcic, D. Cetojevic-Simin, N. Mimica-Dukic, G. Anackov, I. Beara, D. Mitic-Culafic, and B. Bozin, "Phenolic profile, antioxidant, anti-inflammatory and cytotoxic activities of small yellow onion (Allium flavum L. subsp. flavum, Alliaceae)," LWT - Food Science and Technology , vol. 54 , no. 1 , pp. 139–146 , DOI: 10.1016/j.lwt.2013.05.023 .

Analysis result 25

Detection technique Values Units
[M⁻ H]⁻ 301 : ND m/z
STD
True
TLC
False
UV/Vis detector description
Mass spectrometer description
LC-ESI-MS/MS, triple-quadrupole mass spectrometer
Organism
Allium flavum subsp. flavum  L.
wild
ground, dried
Sample note
The whole plants (aerial parts, bulbs) of wild-growing A. flavum subsp. flavum were collected in Serbia. The voucher specimens were prepared, identified and deposited at the Herbarium of the Department of Biology and Ecology (BUNS Herbarium), University of Novi Sad, Faculty of Sciences. The code of the specimens from Babusnica was no. 2-1767. The bulbs were analysed in this group.
Drying methods
air-dried
Extraction solvents
70 % aqueous methanol
Extraction mass/volume-ratio
125 mg/mL
Extraction repeats
1
Extraction time
3 d
Extraction temperature
30 °C
Extract drying method
rotary evaporation under vacuum
Extract drying temperature
45 °C
Analysis solvents
70 % aqueous MeOH; 0.5 % formic acid : MeOH (7 : 3)
References

N. Simin, D. Orcic, D. Cetojevic-Simin, N. Mimica-Dukic, G. Anackov, I. Beara, D. Mitic-Culafic, and B. Bozin, "Phenolic profile, antioxidant, anti-inflammatory and cytotoxic activities of small yellow onion (Allium flavum L. subsp. flavum, Alliaceae)," LWT - Food Science and Technology , vol. 54 , no. 1 , pp. 139–146 , DOI: 10.1016/j.lwt.2013.05.023 .

Analysis result 26

Detection technique Values Units
[M⁻ H]⁻ 301 m/z
MS²⁻ 151
179
m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-UV/Vis
Mass spectrometer description
HPLC/ESI-ITMSn, electrospray ionization multistage ion trap mass spectrometry
Organism
Allium cepa var. Ramata di Montoro  L.
cultivated
chopped
Sample note
The variety is cultivated in a niche geographical area in southern Italy. The cultivated bulbs were provide by local committee promoters of Cipolla Ramata di Montoro located in Montoro (Campania, Italy).
Extraction solvents
80 % methanol
Extraction mass/volume-ratio
500 mg/mL
Extraction repeats
1
Extraction time
25 min
Extraction temperature
20±5 °C
Extract drying method
rotary evaporation
Dried extract storage temperature
-20 °C
Analysis solvents
1 % formic acid
References

I. Tedesco, V. Carbone, C. Spagnuolo, P. Minasi, and G. Russo, "Identification and quantification of flavonoids from two southern Italian cultivars of Allium cepa L., Tropea (red onion) and Montoro (copper onion), and their capacity to protect human erythrocytes from oxidative stress.," Journal of Agricultural and Food Chemistry , vol. 63 , pp. 5229–5238 , DOI: 10.1021/acs.jafc.5b01206 .

Analysis result 27

Detection technique Values Units
[M⁻ H]⁻ 301 m/z
MS²⁻ 151
179
m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-UV/Vis
Mass spectrometer description
HPLC/ESI-ITMSn, electrospray ionization multistage ion trap mass spectrometry
Organism
Allium cepa var. Tropea  L.
cultivated
chopped
Sample note
Tropea variety is a well known red onion in southern Italy. The researchers collected onion bulbs in Tropea, Calabria, Italy.
Extraction solvents
80 % methanol
Extraction mass/volume-ratio
500 mg/mL
Extraction repeats
1
Extraction time
25 min
Extraction temperature
20±5 °C
Extract drying method
rotary evaporation
Dried extract storage temperature
-20 °C
Analysis solvents
1 % formic acid
References

I. Tedesco, V. Carbone, C. Spagnuolo, P. Minasi, and G. Russo, "Identification and quantification of flavonoids from two southern Italian cultivars of Allium cepa L., Tropea (red onion) and Montoro (copper onion), and their capacity to protect human erythrocytes from oxidative stress.," Journal of Agricultural and Food Chemistry , vol. 63 , pp. 5229–5238 , DOI: 10.1021/acs.jafc.5b01206 .

Analysis result 28

Detection technique Values Units
[M⁻ H]⁻ 301.03392 m/z
MS²⁻ 151
179
257
271
283
m/z
MS³⁻ 151 m/z
STD
True
TLC
False
UV/Vis detector description
UHPLC
Mass spectrometer description
UHPLC-MS, HRMS, LTQ OrbiTrap, UHPLC–LTQ OrbiTrap MS/MS, HESI, heated ESI
Organism
Tanacetum parthenium  (L.) Sch. Bip.
wild
ground, dried
Sample note
The samples were collected in Turkey (Taskopru, Karacaoglu village). Taxonomic spotting was performed at Marmara University, Istanbul, Turkey, voucher number: MARE-19056./ Microwave-assisted extraction (MAE) was performed at 600W microwave power.
Drying methods
air-dried
Extraction solvents
ethanol
Extraction mass/volume-ratio
50 mg/mL
Extraction repeats
1
Extraction time
30 min
Extract drying method
concentration under vacuum
Extract drying temperature
40 °C
Dried extract storage temperature
4 °C
Detection note
MS2 fragments (% base peak): 179 (100), 283 (15), 271 (60), 257 (25), 151 (80); MS3: 151 (100); MS4: 107 (100), 83 (10)
References

G. Zengin, A. Cvetanonović, U. Gašić, A. Stupar, G. Bulut, I. Şenkardes, A. Dogan, K. Sinan, Z. Aumeeruddy-Elalfi, A. Aktumsek, and M. Mahomoodally, "Modern and traditional extraction techniques affect chemical composition and bioactivity of Tanacetum parthenium (L.) Sch. Bip.," Industrial Crops and Products , vol. 146 , pp. 112202 , DOI: 10.1016/j.indcrop.2020.112202 .

Analysis result 29

Detection technique Values Units
[M⁻ H]⁻ 301.03392 m/z
MS²⁻ 151
179
257
271
283
m/z
MS³⁻ 151 m/z
STD
True
TLC
False
UV/Vis detector description
UHPLC
Mass spectrometer description
UHPLC-MS, HRMS, LTQ OrbiTrap, UHPLC–LTQ OrbiTrap MS/MS, HESI, heated ESI
Organism
Tanacetum parthenium  (L.) Sch. Bip.
wild
ground, dried
Sample note
The samples were collected in Turkey (Taskopru, Karacaoglu village). Taxonomic spotting was performed at Marmara University, Istanbul, Turkey, voucher number: MARE-19056./Sonication of plant-ethanol mixture was done in ultrasonic bath for an hour at 30 °C.
Drying methods
air-dried
Extraction solvents
ethanol
Extraction mass/volume-ratio
40 mg/mL
Extraction repeats
1
Extraction time
1 h
Extraction temperature
30 °C
Extract drying method
concentration under vacuum
Extract drying temperature
40 °C
Dried extract storage temperature
4 °C
Detection note
MS2 fragments (% base peak): 179 (100), 283 (15), 271 (60), 257 (25), 151 (80); MS3: 151 (100); MS4: 107 (100), 83 (10)
References

G. Zengin, A. Cvetanonović, U. Gašić, A. Stupar, G. Bulut, I. Şenkardes, A. Dogan, K. Sinan, Z. Aumeeruddy-Elalfi, A. Aktumsek, and M. Mahomoodally, "Modern and traditional extraction techniques affect chemical composition and bioactivity of Tanacetum parthenium (L.) Sch. Bip.," Industrial Crops and Products , vol. 146 , pp. 112202 , DOI: 10.1016/j.indcrop.2020.112202 .

Analysis result 30

Detection technique Values Units
[M⁻ H]⁻ 301.03392 m/z
MS²⁻ 151
179
257
271
283
m/z
MS³⁻ 151 m/z
STD
True
TLC
False
UV/Vis detector description
UHPLC
Mass spectrometer description
UHPLC-MS, HRMS, LTQ OrbiTrap, UHPLC–LTQ OrbiTrap MS/MS, HESI, heated ESI
Organism
Tanacetum parthenium  (L.) Sch. Bip.
wild
ground, dried
Sample note
The samples were collected in Turkey (Taskopru, Karacaoglu village). Taxonomic spotting was performed at Marmara University, Istanbul, Turkey, voucher number: MARE-19056./The plant samples were macerated at room temperature at dark for 24 h.
Drying methods
air-dried
Extraction solvents
ethanol
Extraction mass/volume-ratio
50 mg/mL
Extraction repeats
1
Extraction time
1 d
Extraction temperature
20±5 °C
Extract drying method
concentration under vacuum
Extract drying temperature
40 °C
Dried extract storage temperature
4 °C
Detection note
MS2 fragments (% base peak): 179 (100), 283 (15), 271 (60), 257 (25), 151 (80); MS3: 151 (100); MS4: 107 (100), 83 (10)
References

G. Zengin, A. Cvetanonović, U. Gašić, A. Stupar, G. Bulut, I. Şenkardes, A. Dogan, K. Sinan, Z. Aumeeruddy-Elalfi, A. Aktumsek, and M. Mahomoodally, "Modern and traditional extraction techniques affect chemical composition and bioactivity of Tanacetum parthenium (L.) Sch. Bip.," Industrial Crops and Products , vol. 146 , pp. 112202 , DOI: 10.1016/j.indcrop.2020.112202 .

3,5,7,3',4'-pentahydroxyflavone

Basics

Category
Flavonol
IUPAC-name
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
Formula
No formula stored
Exact mass
302.04270 g/mol
Molecular weight
No weights stored
Structure
Chemical structure of 3,5,7,3',4'-pentahydroxyflavone
Figure 2.1: Chemical structure of 3,5,7,3',4'-pentahydroxyflavone

Sources

No links to any potential source for this chemical in the database.

References

  1. Ø. Andersen, and K. Markham, Flavonoids. Chemistry, biochemistry and applications.. CRC Press, 2006

Analysis results

No analysis results for this entry in the database.