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Table 5 Marker metabolites in G. rhodantha

From: Comparative metabolic fingerprinting of Gentiana rhodantha from different geographical origins using LC-UV-MS/MS and multivariate statistical analysis

Peak No.

Rt (min)

precursor ion ( m/z )

CE (eV)

MS/MS fragment (Relative abundance %)

Identity

Ref

4

4.2

423.30 [M-H]

−24

423 (24) 261 (100) 151 (32) 125 (8)

rhodanthenones B

[20]

425.20 [M + H] +

−13

425 (18) 263 (100) 145 (19) 127 (8)

  

7

5.1

375.10 [M-H]

22

213 (100)

loganic acid*

 

9

5.5

405.15 [M + H]+

−16

405 (31) 378 (12) 243 (100) 211 (63)

secoxyloganin

[19]

449.20 [M + HCOO]

21

449 (27) 403 (22) 359 (26) 241 (100) 197 (29) 179 (77) 161 (18) 144 (17) 127 (15)

  

10

5.9

413.30 [M + Na]+; 389.20 [M-H]

25

389 (21) 345 (11) 227 (22) 209 (8) 183 (23) 165 (31) 139 (34) 121 (100) 113 (48) 95 (28)

secologanoside

[19]

12

6.6

419.15 [M + HCOO]

15

179 (100)

swertiamarin*

 

375.10 [M + H]+

−12

195 (100), 177 (63)

 

14

7.4

421.25 [M-H]

30

301 (100), 331 (71)

mangiferin*

 

7.5

401.10 [M + HCOO]

20

355 (23) 179 (100)

gentiopicroside*

 

15

7.9

403.20 [M + HCOO]

21

357 (29) 195 (32) 125 (100)

sweroside*

 

20

10.9

449. 10 [M + H]+ 447.20 [M-H]

−15

449 (13) 431 (47) 413 (65) 383 (43) 359 (22) 329 (100)

isoorientin

[21,24]

27

10.5

1075.40 [M-H]; 1099.10 [M + Na]+

35

1075 (51), 913 (59) 555 (100) 357 (28) 197 (32) 153 (31)

unknow

[17,18]

28

10.8

1433.30 [M-H]; 1452 [M+ NH4]+

32

1433 (17) 1271 (100) 1075 (43) 913 (84) 555 (100) 197 (20) 153 (17)

unknow

[17,18]

29

18.0

913 [M-H]; 937.13 [M + Na]+

39

913 (14), 555 (55), 357 (12), 197 (100) 153 (61) 109 (18)

rhodenthoside A

[17,18]

30

18.1

1629 [M-H]; 1648 [M + NH4]+

63

1629 (7) 1271 (37) 913 (93) 555 (100) 197 (29) 153 (18)

rhodenthoside B

[17,18]

31

18.5

1643 [M-H]; 1667 [M + Na]+

55

1643 (27) 1285 (100) 1271 (33) 927 (36) 913 (53) 555 (37) 197 (29) 153 (22)

unknow

[17,18]

32

18.9

1657 [M-H]; 1681 [M + Na]+

59

1657 (41) 1285 (32) 927 (73), 913 (31) 555 (74) 197 (33) 153 (100) 109 (29)

rhodenthoside C

[17,18]

  1. *identification by standard compounds.
  2. —: not detect in chromatogram.