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Table 2 1H NMR, 13C NMR characteristic signals and LC-MS/MS data of identified metabolites in C. caudatus extracts

From: Variation in the metabolites and α-glucosidase inhibitory activity of Cosmos caudatus at different growth stages

Metabolite

NMR Chemical shift (ppm)

Molecular ion (M-H)+

MS/MS fragments

δH, mult (J in Hz)

δC

Quercetin

5.24, d (2)

   

5.28, d (7.8)

6.24, d (2)

6.28, d (2)

6.44, d (2)

7.02, d (8.5)

7.36, d (2)

7.28, dd (8, 2)

7.56, dd (8, 2)

Quercetin 3-O-arabinofuranoside

6.28, d (2)

 

435.0780

303.0469, 181.0580, 153.9813

7.02, d (8.5)

7.36, d (2)

7.56, dd (8, 2)

5.28, d (7.8)

111.37

Quercetin 3-O- rhamnoside

6.28, d (2)

 

449.0954

303.0460, 181.0855, 153.0940

7.02, d (8.5)

7.36, d (2)

7.56, dd (8, 2)

5.18, d (7.8)

95.72

0.90, d (1.1)

19.51

Quercetin 3-O- glucoside

7.02, d (8.5)

 

465.0898

303.0466, 153.3540

7.36, d (2)

7.56, dd (8, 2)

5.18, d (7.8)

95.43

Quercetin 3-O-xyloside

6.28, d (2)

 

435.0801

303.0451, 181.6037, 153.8779

7.02, d (8.5)

7.36, d (2)

7.56, dd (8, 2)

5.07, d (8.)

104.71

Rutin

6.28, d (2)

 

611.1366

465.0893, 303.0466

7.02, d (8.5)

7.36, d (2)

7.56, dd (8, 2)

4.99, d (7.5)

105.01

3.78, d (1.5)

65.20

4.39, d (1.5)

101.93

0.92, d (6.6)

19.06

Chlorogenic acid

3.52, dd (10, 4)

   

Fatty acid

1.32, m

   

Acetic acid

1.92, s

   

Catechin

2.56, dd (16, 7.5)