Chemical fact sheet: Cryptochlorogenic acid

The BCDB-database is not an authoritative database. This sheet collates data stored for chemical entry cryptochlorogenic acid and its related chemical compound entries 4-O-caffeoylquinic acid .

Cryptochlorogenic acid

Basics

Category
Hydroxycinnamic & hydroxybenzoic acid derivatives & other organic acid derivatives
IUPAC-name
(E)-4-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexane-1-carboxylic acid
Formula
C16H18O9
Exact mass
354.09510 g/mol
Molecular weight
354.30000 g/mol
Structure
Chemical structure of cryptochlorogenic acid
Figure 1.1: Chemical structure of cryptochlorogenic acid

Sources

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

Achillea millefolium  L.
1st 2nd 3rd
Aronia melanocarpa 'Galicjanka'
1st 2nd
Calendula arvensis  L.
1st
Calendula suffruticosa subsp. lusitanica
1st
Sambucus canadensis 'Johns'
1st 2nd
Sambucus canadensis 'York'
1st 2nd
Tanacetum parthenium  (L.) Sch. Bip.
1st 2nd 3rd
Tanacetum vulgare  L.
1st 2nd 3rd 4th
Taraxacum officinale  G.H. Weber ex F. H. Wigg.
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. 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. N. Devrnja, B. Anđelković, S. Aranđelović, S. Radulović, M. Soković, D. Krstić-Milošević, M. Ristić, and D. Ćalić, "Comparative studies on the antimicrobial and cytotoxic activities of Tanacetum vulgare L. essentiall oils and methanol extracts.," South African Journal of Botany , vol. 111 , pp. 212–221 , DOI: 10.1016/j.sajb.2017.03.028 .
  3. M. Dias, L. Barros, M. Duenas, E. Pereira, A. Carvalho, M. Oliveira, C. Santos-Buelga, and I. Ferreira, "Chemical composition of wild and commercial Achillea millefolium L. and bioactivity of the methanolic extract, infusion and decoction.," Food Chemistry , vol. 141 , no. 4 , pp. 4152–4160 , DOI: 10.1016/j.foodchem.2013.07.018 .
  4. M. Faustino, D. Pinto, M. Gonçalves, L. Salgueiro, P. Silveira, and A. Silva, "Calendula L. species polyphenolic profile and in vitro antifungal activity.," Journal of Functional Foods , vol. 45 , pp. 254–267 , DOI: 10.1016/j.jff.2018.04.013 .
  5. D. Jedrejek, B. Lis, A. Rolnik, A. Stochmal, and B. Olas, "Comparative phytochemical, cytotoxicity, antioxidant and haemostatic studies of Taraxacum officinale root preparations.," Food and Chemical Toxicology , vol. 126 , pp. 233–247 , DOI: 10.1016/j.fct.2019.02.017 .
  6. J. Oszmiański, and S. Lachowicz, "Effect of the production of dried fruits and juice from chokeberry (Aronia melanocarpa L.) on the content and antioxidative activity of bioactive compounds.," Molecules , vol. 21 , no. 8 , pp. 1098 , DOI: 10.3390/molecules21081098 .
  7. 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

Detection technique Values Units
UV/Vis 244
294 sh
318 		nm
[M⁻ H]⁻ 353.08720 m/z
STD
False
TLC
False
UV/Vis detector description
LC-diode array (DAD)
Mass spectrometer description
ESI-TOF-MS
Organism
Tanacetum vulgare  L.
wild
dried, powdered
Collection dates
2012
Sample note
The plant was authenticated by the authors; rev.: Dr. Goran Anackov and prepared as herbarium specimens and were deposited at the Herbarium of the Department of Biology and Ecology-BUNS Herbariumm University of Novi Sad, voucher No. 2-2069.
Drying methods
air-dried
Dried material storage temperature
15 °C
Dried material storage notes
dark; as whole
Extraction solvents
methanol
Extraction mass/volume-ratio
100 mg/mL
Extraction repeats
1
Extraction time
2 d 20 min
Extraction temperature
20±5 °C
Extract drying method
evaporation under vacuum
Extract drying temperature
40 °C
Dried extract storage temperature
20±5 °C
Analysis solvents
MeOH
Detection note
Other, less abundant m/z values: 354.0907, 355.0928, 389.0619, 707.1832, 708.1866
References

N. Devrnja, B. Anđelković, S. Aranđelović, S. Radulović, M. Soković, D. Krstić-Milošević, M. Ristić, and D. Ćalić, "Comparative studies on the antimicrobial and cytotoxic activities of Tanacetum vulgare L. essentiall oils and methanol extracts.," South African Journal of Botany , vol. 111 , pp. 212–221 , DOI: 10.1016/j.sajb.2017.03.028 .

Analysis result 2

Detection technique Values Units
UV/Vis 244
294 sh
318 		nm
[M⁻ H]⁻ 353.08720 m/z
STD
False
TLC
False
UV/Vis detector description
LC-diode array (DAD)
Mass spectrometer description
ESI-TOF-MS
Organism
Tanacetum vulgare  L.
wild
dried, powdered
Collection dates
2012
Sample note
The plant was authenticated by the authors; rev.: Dr. Goran Anackov and prepared as herbarium specimens and were deposited at the Herbarium of the Department of Biology and Ecology-BUNS Herbariumm University of Novi Sad, voucher No. 2-2069.
Drying methods
air-dried
Dried material storage temperature
15 °C
Dried material storage notes
dark; as whole
Extraction solvents
methanol
Extraction mass/volume-ratio
100 mg/mL
Extraction repeats
1
Extraction time
2 d 20 min
Extraction temperature
20±5 °C
Extract drying method
evaporation under vacuum
Extract drying temperature
40 °C
Dried extract storage temperature
20±5 °C
Analysis solvents
MeOH
Detection note
Other, less abundant m/z values: 354.0907, 355.0928, 389.0619, 707.1832, 708.1866
References

N. Devrnja, B. Anđelković, S. Aranđelović, S. Radulović, M. Soković, D. Krstić-Milošević, M. Ristić, and D. Ćalić, "Comparative studies on the antimicrobial and cytotoxic activities of Tanacetum vulgare L. essentiall oils and methanol extracts.," South African Journal of Botany , vol. 111 , pp. 212–221 , DOI: 10.1016/j.sajb.2017.03.028 .

Analysis result 3

Detection technique Values Units
UV/Vis 244
294 sh
318 		nm
[M⁻ H]⁻ 353.08720 m/z
STD
False
TLC
False
UV/Vis detector description
LC-diode array (DAD)
Mass spectrometer description
ESI-TOF-MS
Organism
Tanacetum vulgare  L.
wild
dried, powdered
Collection dates
2012
Sample note
The plant was authenticated by the authors; rev.: Dr. Goran Anackov and prepared as herbarium specimens and were deposited at the Herbarium of the Department of Biology and Ecology-BUNS Herbariumm University of Novi Sad, voucher No. 2-2069.
Drying methods
air-dried
Dried material storage temperature
15 °C
Dried material storage notes
dark; as whole
Extraction solvents
methanol
Extraction mass/volume-ratio
100 mg/mL
Extraction repeats
1
Extraction time
2 d 20 min
Extraction temperature
20±5 °C
Extract drying method
evaporation under vacuum
Extract drying temperature
40 °C
Dried extract storage temperature
20±5 °C
Analysis solvents
MeOH
Detection note
Other, less abundant m/z values: 354.0907, 355.0928, 389.0619, 707.1832, 708.1866
References

N. Devrnja, B. Anđelković, S. Aranđelović, S. Radulović, M. Soković, D. Krstić-Milošević, M. Ristić, and D. Ćalić, "Comparative studies on the antimicrobial and cytotoxic activities of Tanacetum vulgare L. essentiall oils and methanol extracts.," South African Journal of Botany , vol. 111 , pp. 212–221 , DOI: 10.1016/j.sajb.2017.03.028 .

Analysis result 4

Detection technique Values Units
UV/Vis 244
294 sh
318 		nm
[M⁻ H]⁻ 353.08720 m/z
STD
False
TLC
False
UV/Vis detector description
LC-diode array (DAD)
Mass spectrometer description
ESI-TOF-MS
Organism
Tanacetum vulgare  L.
wild
dried, powdered
Collection dates
2012
Sample note
The plant was authenticated by the authors; rev.: Dr. Goran Anackov and prepared as herbarium specimens and were deposited at the Herbarium of the Department of Biology and Ecology-BUNS Herbariumm University of Novi Sad, voucher No. 2-2069.
Drying methods
air-dried
Dried material storage temperature
15 °C
Dried material storage notes
dark; as whole
Extraction solvents
methanol
Extraction mass/volume-ratio
100 mg/mL
Extraction repeats
1
Extraction time
2 d 20 min
Extraction temperature
20±5 °C
Extract drying method
evaporation under vacuum
Extract drying temperature
40 °C
Dried extract storage temperature
20±5 °C
Analysis solvents
MeOH
Detection note
Other, less abundant m/z values: 354.0907, 355.0928, 389.0619, 707.1832, 708.1866
References

N. Devrnja, B. Anđelković, S. Aranđelović, S. Radulović, M. Soković, D. Krstić-Milošević, M. Ristić, and D. Ćalić, "Comparative studies on the antimicrobial and cytotoxic activities of Tanacetum vulgare L. essentiall oils and methanol extracts.," South African Journal of Botany , vol. 111 , pp. 212–221 , DOI: 10.1016/j.sajb.2017.03.028 .

Analysis result 5

Detection technique Values Units
UV/Vis 328 nm
[M⁻ H]⁻ 353 m/z
MS²⁻ 135
173
179
191 		m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
HPLC-MS/MS
Organism
Achillea millefolium  L.
wild
dried, powdered
Sample note
The wild yarrrow inflorescences and upper leaves were collected by researchers from 50 plants growing in two different grasslands of about one hectare. The gathered material was mixed and made into a unique sample, dried and powdered (20mesh). A voucher specimen was deposited at the Herbarium fo the Excola Superior Agraria de Braganca (BRESA).
Drying methods
lyophilized
Extraction solvents
methanol
Extraction mass/volume-ratio
16.7 mg/mL
Extraction repeats
2
Extraction time
1 h
Extraction temperature
25 °C
Extract drying method
rotary evaporation
Extract drying temperature
40 °C
Analysis solvents
water
Detection note
The relative intensities are in the parentheses: 191 (50), 135 (70) and the base peaks was 173 (100) ---> [quinic acid - H - H2O] accopanied by a secondary fragment ion at m/z 179 (88).
References

M. Dias, L. Barros, M. Duenas, E. Pereira, A. Carvalho, M. Oliveira, C. Santos-Buelga, and I. Ferreira, "Chemical composition of wild and commercial Achillea millefolium L. and bioactivity of the methanolic extract, infusion and decoction.," Food Chemistry , vol. 141 , no. 4 , pp. 4152–4160 , DOI: 10.1016/j.foodchem.2013.07.018 .

Analysis result 6

Detection technique Values Units
UV/Vis 328 nm
[M⁻ H]⁻ 353 m/z
MS²⁻ 135
173
179
191 		m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
HPLC-MS/MS
Organism
Achillea millefolium  L.
wild
dried, powdered
Sample note
The wild yarrrow inflorescences and upper leaves were collected by researchers from 50 plants growing in two different grasslands of about one hectare. The gathered material was mixed and made into a unique sample, dried and powdered (20mesh). A voucher specimen was deposited at the Herbarium fo the Excola Superior Agraria de Braganca (BRESA).
Drying methods
lyophilized
Extraction solvents
water
Extraction mass/volume-ratio
5 mg/mL
Extraction repeats
1
Extraction time
10 min
Extraction temperature
100 °C
Extract drying method
lyophilization, Infusion
Analysis solvents
water
Detection note
The relative intensities are in the parentheses: 191 (50), 135 (70) and the base peaks was 173 (100) ---> [quinic acid - H - H2O] accopanied by a secondary fragment ion at m/z 179 (88).
References

M. Dias, L. Barros, M. Duenas, E. Pereira, A. Carvalho, M. Oliveira, C. Santos-Buelga, and I. Ferreira, "Chemical composition of wild and commercial Achillea millefolium L. and bioactivity of the methanolic extract, infusion and decoction.," Food Chemistry , vol. 141 , no. 4 , pp. 4152–4160 , DOI: 10.1016/j.foodchem.2013.07.018 .

Analysis result 7

Detection technique Values Units
UV/Vis 328 nm
[M⁻ H]⁻ 353 m/z
MS²⁻ 135
173
179
191 		m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
HPLC-MS/MS
Organism
Achillea millefolium  L.
wild
dried, powdered
Sample note
The wild yarrrow inflorescences and upper leaves were collected by researchers from 50 plants growing in two different grasslands of about one hectare. The gathered material was mixed and made into a unique sample, dried and powdered (20mesh). A voucher specimen was deposited at the Herbarium fo the Excola Superior Agraria de Braganca (BRESA).
Drying methods
lyophilized
Extraction solvents
water
Extraction mass/volume-ratio
5 mg/mL
Extraction repeats
1
Extraction time
10 min
Extraction temperature
100 °C
Extract drying method
lyophilization, decoction
Analysis solvents
water
Detection note
The relative intensities are in the parentheses: 191 (50), 135 (70) and the base peaks was 173 (100) ---> [quinic acid - H - H2O] accopanied by a secondary fragment ion at m/z 179 (88).
References

M. Dias, L. Barros, M. Duenas, E. Pereira, A. Carvalho, M. Oliveira, C. Santos-Buelga, and I. Ferreira, "Chemical composition of wild and commercial Achillea millefolium L. and bioactivity of the methanolic extract, infusion and decoction.," Food Chemistry , vol. 141 , no. 4 , pp. 4152–4160 , DOI: 10.1016/j.foodchem.2013.07.018 .

Analysis result 8

Detection technique Values Units
UV/Vis 240
320 		nm
[M⁻ H]⁻ 353 m/z
MS²⁻ 173
179
191 		m/z
STD
False
TLC
False
UV/Vis detector description
UHPLC-DAD
Mass spectrometer description
ESI, UHPLC-MS, linear ion trap
Organism
Calendula arvensis  L.
dried, powdered
Collection dates
2015-3, 2015-4
Sample note
The samples were identified by Dr. Paolo Silveira. A voucher specimen was deposited in the Herbarium of the Department of Biology University of Aveiro, Portugal.
Drying methods
oven-dried
Drying temperature
60 °C
Extraction solvents
methanol
Extraction mass/volume-ratio
100 mg/mL
Extraction repeats
4
Extraction time
2 d
Extraction temperature
20±5 °C
Extract drying method
vacuum evaporation
Extract drying temperature
40 °C
Analysis solvents
MeOH
Detection note
353 --> 173 (100) [quinic acid - H - H2O]-; 179 (67) [caffeic acid-H]-; 191 (49) [quinic acid - H]-
References

M. Faustino, D. Pinto, M. Gonçalves, L. Salgueiro, P. Silveira, and A. Silva, "Calendula L. species polyphenolic profile and in vitro antifungal activity.," Journal of Functional Foods , vol. 45 , pp. 254–267 , DOI: 10.1016/j.jff.2018.04.013 .

Analysis result 9

Detection technique Values Units
UV/Vis 240
320 		nm
[M⁻ H]⁻ 353 m/z
MS²⁻ 173
179
191 		m/z
STD
False
TLC
False
UV/Vis detector description
UHPLC-DAD
Mass spectrometer description
ESI, UHPLC-MS, linear ion trap
Organism
Calendula suffruticosa subsp. lusitanica
dried, powdered
Collection dates
2015-3, 2015-4
Sample note
The samples were identified by Dr. Paolo Silveira. A voucher specimen was deposited in the Herbarium of the Department of Biology University of Aveiro, Portugal.
Drying methods
oven-dried
Drying temperature
60 °C
Extraction solvents
methanol
Extraction mass/volume-ratio
100 mg/mL
Extraction repeats
4
Extraction time
2 d
Extraction temperature
20±5 °C
Extract drying method
vacuum evaporation
Extract drying temperature
40 °C
Analysis solvents
MeOH
References

M. Faustino, D. Pinto, M. Gonçalves, L. Salgueiro, P. Silveira, and A. Silva, "Calendula L. species polyphenolic profile and in vitro antifungal activity.," Journal of Functional Foods , vol. 45 , pp. 254–267 , DOI: 10.1016/j.jff.2018.04.013 .

Analysis result 10

Detection technique Values Units
UV/Vis 290 sh
325 		nm
[M⁻ H]⁻ 353 m/z
MS²⁻ 173
191 		m/z
STD
False
TLC
False
UV/Vis detector description
PDA, UHPLC-photodiode array detector
Mass spectrometer description
ESI, UPLC-PDA-ESI-MS/MS, tandem quadrupole mass spectrometer, TQD
Organism
Taraxacum officinale  G.H. Weber ex F. H. Wigg.
wild
dried, pulverized
Collection dates
2016-9
Sample note
The dandelion (Taraxacum officinale L.) root (Taraxaci radix) was identified by Prof. Krzysztof Oklejewicz (Department of Botany, University of Rzeszów, Poland). A voucher specimen has been deposited at the Department of Biochemistry and Crop Quality of the Institute of Soil Science and Plant Cultivation - State Research Institute in Pulawy.
Drying methods
freeze-dried
Dried material storage notes
dark; in a refrigerator; as pulverized
Extraction solvents
80 % methanol
Extraction mass/volume-ratio
46.7 mg/mL
Extraction repeats
3
Extraction time
1 d 12 h
Extraction temperature
20±5 °C
Extract drying method
evaporation under vacuum
Extract drying temperature
40 °C
Analysis solvents
50 % MeOH
Detection note
377 [M + Na]+
References

D. Jedrejek, B. Lis, A. Rolnik, A. Stochmal, and B. Olas, "Comparative phytochemical, cytotoxicity, antioxidant and haemostatic studies of Taraxacum officinale root preparations.," Food and Chemical Toxicology , vol. 126 , pp. 233–247 , DOI: 10.1016/j.fct.2019.02.017 .

Analysis result 11

Detection technique Values Units
[M⁻ H]⁻ 353 m/z
MS²⁻ 173
191 		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
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 12

Detection technique Values Units
[M⁻ H]⁻ 353 m/z
MS²⁻ 173
191 		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
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 13

Detection technique Values Units
[M⁻ H]⁻ 353 m/z
MS²⁻ 173
191 		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
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 14

Detection technique Values Units
[M⁻ H]⁻ 353 m/z
MS²⁻ 173
191 		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
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 15

Detection technique Values Units
UV/Vis 323 nm
[M⁻ H]⁻ 353 m/z
MS²⁻ 191 m/z
STD
True
TLC
False
UV/Vis detector description
UPLC-PDA
Mass spectrometer description
UPLC-PDA-ESI-MS/MS, UPLC-QTOF-MS
Organism
Aronia melanocarpa 'Galicjanka'
cultivated
ground, dried, passed through a strainer (1mm)
Sample note
The fruit samples (about 15kg) were obtained from a horticultural farm in Trzebnica, near Wroclaw, Poland. The raw material was collected at the optimum ripening stage recommended for consumption. The whole fruits were freeze-dried, so that the pressure was reduced to 0.0960 kPa. The temperature in the drying chamber was -60 C, and in the shelves 26C. The dried material was ground with laboratory mill (IKA A.11, Christ) and then passed through a strainer (1mm). The powder (code PDF) was ready for the analyses.
Drying methods
freeze-dried
Drying temperature
26 °C
Extraction solvents
methanol acidified with 2 % formic acid
Extraction mass/volume-ratio
40 mg/mL
Extraction repeats
2
Extraction time
30 min
Analysis solvents
methanol acidified with 2 % formic acid
References

J. Oszmiański, and S. Lachowicz, "Effect of the production of dried fruits and juice from chokeberry (Aronia melanocarpa L.) on the content and antioxidative activity of bioactive compounds.," Molecules , vol. 21 , no. 8 , pp. 1098 , DOI: 10.3390/molecules21081098 .

Analysis result 16

Detection technique Values Units
UV/Vis 323 nm
[M⁻ H]⁻ 353 m/z
MS²⁻ 191 m/z
STD
True
TLC
False
UV/Vis detector description
UPLC-PDA
Mass spectrometer description
UPLC-PDA-ESI-MS/MS, UPLC-QTOF-MS
Organism
Aronia melanocarpa 'Galicjanka'
cultivated
pressed, dried, passed through a strainer (1mm), ground
Sample note
The fruit samples (about 15kg) were obtained from a horticultural farm in Trzebnica, near Wroclaw, Poland. The raw material was collected at the optimum ripening stage recommended for consumption. The whole, uncrushed fruits were pressed on a hydraulic press (SSRE, Waesaw, Poland). The obtained pomace was freeze-dried using an Alpha 1-4 LSC freeze dryer. The pressure was reduced to 0.960kPa. The temperature in the drying chamber was -60 C, and in the shelves 26C.Then, the material was ground, then passed through a strainer (1mm). After that the powder (code PPUF) was ready for the analyses.
Drying methods
freeze-dried
Drying temperature
26 °C
Extraction solvents
methanol acidified with 2 % formic acid
Extraction mass/volume-ratio
40 mg/mL
Extraction repeats
2
Extraction time
30 min
Analysis solvents
methanol acidified with 2 % formic acid
References

J. Oszmiański, and S. Lachowicz, "Effect of the production of dried fruits and juice from chokeberry (Aronia melanocarpa L.) on the content and antioxidative activity of bioactive compounds.," Molecules , vol. 21 , no. 8 , pp. 1098 , DOI: 10.3390/molecules21081098 .

Analysis result 17

Detection technique Values Units
[M⁻ H]⁻ 353.08622 m/z
MS²⁻ 135
173
179
191 		m/z
MS³⁻ 71
93
111
115 		m/z
STD
False
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): 191 (60), 179 (75), 173 (100), 135 (15); MS3: 115 (20), 111 (50), 93 (100), 71 (20)
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 18

Detection technique Values Units
[M⁻ H]⁻ 353.08622 m/z
MS²⁻ 135
173
179
191 		m/z
MS³⁻ 71
93
111
115 		m/z
STD
False
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): 191 (60), 179 (75), 173 (100), 135 (15); MS3: 115 (20), 111 (50), 93 (100), 71 (20)
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 19

Detection technique Values Units
[M⁻ H]⁻ 353.08622 m/z
MS²⁻ 135
173
179
191 		m/z
MS³⁻ 71
93
111
115 		m/z
STD
False
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): 191 (60), 179 (75), 173 (100), 135 (15); MS3: 115 (20), 111 (50), 93 (100), 71 (20)
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 .

4-O-caffeoylquinic acid

Basics

Category
Phenolic acid
IUPAC-name
(1S,3R,4S,5R)-4-((((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)methyl)-1,3,5-trihydroxycyclohexane-1-carboxylic acid
Formula
C16H18O9
Exact mass
368.11070 g/mol
Molecular weight
No weights stored
Structure
Chemical structure of 4-O-caffeoylquinic acid
Figure 2.1: Chemical structure of 4-O-caffeoylquinic acid

Sources

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

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 .

Analysis results

No analysis results for this entry in the database.