Chemical fact sheet: Di-O-caffeoylquinic acid isomer

Di-O-caffeoylquinic acid isomer

Basics

Category
Hydroxycinnamic & hydroxybenzoic acid derivatives & other organic acid derivatives
IUPAC-name
3,5-bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexane-1-carboxylic acid
Formula
No formula stored
Exact mass
516.12680 g/mol
Molecular weight
516.13570 g/mol
Structure
Chemical structure of di-O-caffeoylquinic acid isomer
Figure 1.1: Chemical structure of di-O-caffeoylquinic acid isomer

Sources

In summary, the chemical di-O-caffeoylquinic acid isomer has been analyzed from following sources:

Tanacetum poteriifolium  Grierson
1st 2nd 3rd 4th 5th 6th 7th

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

References

  1. G. Zengin, E. Sieniawska, I. Senkardes, M. Picot-Allain, K. Sinan, and M. Mahomoodally, "Antioxidant abilities, key enzyme inhibitory potential and phytochemical profile of Tanacetum poteriifolium Grierson.," Industrial Crops and Products , vol. 140 , pp. 111629 , DOI: 10.1016/j.indcrop.2019.111629 .

Analysis results

Analysis result 1

Detection technique Values Units
[M⁻ H]⁻ 515.13570 m/z
MS²⁻ 179.04180
191.05860
353.10260 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
LC-ESI-QTOF-MS/MS
Organism
Tanacetum poteriifolium  Grierson
wild
dried, powdered
Collection dates
2018
Sample note
Botanical authentication was done in Turkey, by the botanist Dr. Ismail Senkardes (Marmara University, Faculty of Pharmacy Turkey). The samples were collected in Kastamonu (Hanonu, Yukaricakircay village)
Drying methods
air-dried, dark
Drying temperature
20±5 °C
Dried material storage temperature
4 °C
Dried material storage notes
10 days
Extraction solvents
water, boiling water
Extraction mass/volume-ratio
50 mg/mL
Extraction repeats
1
Extraction time
20 min
Extraction temperature
100 °C
Extract drying method
lyophilization
Dried extract storage temperature
4 °C
Analysis solvents
water
References

G. Zengin, E. Sieniawska, I. Senkardes, M. Picot-Allain, K. Sinan, and M. Mahomoodally, "Antioxidant abilities, key enzyme inhibitory potential and phytochemical profile of Tanacetum poteriifolium Grierson.," Industrial Crops and Products , vol. 140 , pp. 111629 , DOI: 10.1016/j.indcrop.2019.111629 .

Analysis result 2

Detection technique Values Units
[M⁻ H]⁻ 515.13570 m/z
MS²⁻ 179.05240
191.06300
353.10090 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
LC-ESI-QTOF-MS/MS
Organism
Tanacetum poteriifolium  Grierson
wild
dried, powdered
Collection dates
2018
Sample note
Botanical authentication was done in Turkey, by the botanist Dr. Ismail Senkardes (Marmara University, Faculty of Pharmacy Turkey). The samples were collected in Kastamonu (Hanonu, Yukaricakircay village)
Drying methods
air-dried, dark
Drying temperature
20±5 °C
Dried material storage temperature
4 °C
Dried material storage notes
10 days
Extraction solvents
water, boiling water
Extraction mass/volume-ratio
50 mg/mL
Extraction repeats
1
Extraction time
20 min
Extraction temperature
100 °C
Extract drying method
lyophilization
Dried extract storage temperature
4 °C
Analysis solvents
water
References

G. Zengin, E. Sieniawska, I. Senkardes, M. Picot-Allain, K. Sinan, and M. Mahomoodally, "Antioxidant abilities, key enzyme inhibitory potential and phytochemical profile of Tanacetum poteriifolium Grierson.," Industrial Crops and Products , vol. 140 , pp. 111629 , DOI: 10.1016/j.indcrop.2019.111629 .

Analysis result 3

Detection technique Values Units
[M⁻ H]⁻ 515.13570 m/z
MS²⁻ 179.04340
191.06260
353.10260 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
LC-ESI-QTOF-MS/MS
Organism
Tanacetum poteriifolium  Grierson
wild
dried, powdered
Collection dates
2018
Sample note
Botanical authentication was done in Turkey, by the botanist Dr. Ismail Senkardes (Marmara University, Faculty of Pharmacy Turkey). The samples were collected in Kastamonu (Hanonu, Yukaricakircay village)
Drying methods
air-dried, dark
Drying temperature
20±5 °C
Dried material storage temperature
4 °C
Dried material storage notes
10 days
Extraction solvents
water, boiling water
Extraction mass/volume-ratio
50 mg/mL
Extraction repeats
1
Extraction time
20 min
Extraction temperature
100 °C
Extract drying method
lyophilization
Dried extract storage temperature
4 °C
Analysis solvents
water
References

G. Zengin, E. Sieniawska, I. Senkardes, M. Picot-Allain, K. Sinan, and M. Mahomoodally, "Antioxidant abilities, key enzyme inhibitory potential and phytochemical profile of Tanacetum poteriifolium Grierson.," Industrial Crops and Products , vol. 140 , pp. 111629 , DOI: 10.1016/j.indcrop.2019.111629 .

Analysis result 4

Detection technique Values Units
[M⁻ H]⁻ 515.13570 m/z
MS²⁻ 179.04180
191.05860
353.10260 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
LC-ESI-QTOF-MS/MS
Organism
Tanacetum poteriifolium  Grierson
wild
dried, powdered
Collection dates
2018
Sample note
Botanical authentication was d in Turkey.one by the botanist Dr. Ismail Senkardes (Marmara University, Faculty of Pharmacy Turkey). The samples were collected in Kastamonu (Hanonu, Yukaricakircay village)
Drying methods
air-dried, dark
Drying temperature
20±5 °C
Dried material storage temperature
4 °C
Dried material storage notes
10 days
Extraction solvents
methanol
Extraction mass/volume-ratio
50 mg/mL
Extraction repeats
1
Extraction time
1 d
Extract drying method
evaporation in vacuo
Extract drying temperature
40 °C
Dried extract storage temperature
4 °C
Analysis solvents
MeOH
References

G. Zengin, E. Sieniawska, I. Senkardes, M. Picot-Allain, K. Sinan, and M. Mahomoodally, "Antioxidant abilities, key enzyme inhibitory potential and phytochemical profile of Tanacetum poteriifolium Grierson.," Industrial Crops and Products , vol. 140 , pp. 111629 , DOI: 10.1016/j.indcrop.2019.111629 .

Analysis result 5

Detection technique Values Units
[M⁻ H]⁻ 515.13570 m/z
MS²⁻ 179.05240
191.06300
353.10090 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
LC-ESI-QTOF-MS/MS
Organism
Tanacetum poteriifolium  Grierson
wild
dried, powdered
Collection dates
2018
Sample note
Botanical authentication was d in Turkey.one by the botanist Dr. Ismail Senkardes (Marmara University, Faculty of Pharmacy Turkey). The samples were collected in Kastamonu (Hanonu, Yukaricakircay village)
Drying methods
air-dried, dark
Drying temperature
20±5 °C
Dried material storage temperature
4 °C
Dried material storage notes
10 days
Extraction solvents
methanol
Extraction mass/volume-ratio
50 mg/mL
Extraction repeats
1
Extraction time
1 d
Extract drying method
evaporation in vacuo
Extract drying temperature
40 °C
Dried extract storage temperature
4 °C
Analysis solvents
MeOH
References

G. Zengin, E. Sieniawska, I. Senkardes, M. Picot-Allain, K. Sinan, and M. Mahomoodally, "Antioxidant abilities, key enzyme inhibitory potential and phytochemical profile of Tanacetum poteriifolium Grierson.," Industrial Crops and Products , vol. 140 , pp. 111629 , DOI: 10.1016/j.indcrop.2019.111629 .

Analysis result 6

Detection technique Values Units
[M⁻ H]⁻ 515.13570 m/z
MS²⁻ 179.04340
191.06260
353.10260 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
LC-ESI-QTOF-MS/MS
Organism
Tanacetum poteriifolium  Grierson
wild
dried, powdered
Collection dates
2018
Sample note
Botanical authentication was d in Turkey.one by the botanist Dr. Ismail Senkardes (Marmara University, Faculty of Pharmacy Turkey). The samples were collected in Kastamonu (Hanonu, Yukaricakircay village)
Drying methods
air-dried, dark
Drying temperature
20±5 °C
Dried material storage temperature
4 °C
Dried material storage notes
10 days
Extraction solvents
methanol
Extraction mass/volume-ratio
50 mg/mL
Extraction repeats
1
Extraction time
1 d
Extract drying method
evaporation in vacuo
Extract drying temperature
40 °C
Dried extract storage temperature
4 °C
Analysis solvents
MeOH
References

G. Zengin, E. Sieniawska, I. Senkardes, M. Picot-Allain, K. Sinan, and M. Mahomoodally, "Antioxidant abilities, key enzyme inhibitory potential and phytochemical profile of Tanacetum poteriifolium Grierson.," Industrial Crops and Products , vol. 140 , pp. 111629 , DOI: 10.1016/j.indcrop.2019.111629 .

Analysis result 7

Detection technique Values Units
[M⁻ H]⁻ 515.13570 m/z
MS²⁻ 179.04340
191.06260
353.10260 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
LC-ESI-QTOF-MS/MS
Organism
Tanacetum poteriifolium  Grierson
wild
dried, powdered
Collection dates
2018
Sample note
Botanical authentication was d in Turkey.one by the botanist Dr. Ismail Senkardes (Marmara University, Faculty of Pharmacy Turkey). The samples were collected in Kastamonu (Hanonu, Yukaricakircay village)
Drying methods
air-dried, dark
Drying temperature
20±5 °C
Dried material storage temperature
4 °C
Dried material storage notes
10 days
Extraction solvents
ethyl acetate
Extraction mass/volume-ratio
50 mg/mL
Extraction repeats
1
Extraction time
1 d
Extract drying method
evaporation in vacuo
Extract drying temperature
40 °C
Dried extract storage temperature
4 °C
Analysis solvents
ethyl acetate
References

G. Zengin, E. Sieniawska, I. Senkardes, M. Picot-Allain, K. Sinan, and M. Mahomoodally, "Antioxidant abilities, key enzyme inhibitory potential and phytochemical profile of Tanacetum poteriifolium Grierson.," Industrial Crops and Products , vol. 140 , pp. 111629 , DOI: 10.1016/j.indcrop.2019.111629 .