Skip to main content

Table 5 Chemical characterization of B. chinensis (BC) and I. tectorum (ITM) by UHPLC-Q-exactive-MS/MS in negative ion

From: A novel multidimensional strategy to evaluate Belamcanda chinensis (L) DC and Iris tectorum Maxim based on plant metabolomics, digital reference standard analyzer and biological activities evaluation

Peaks

Retention time (min)

m/z Quasi-molecular [M-H]

m/z Calculated [M-H]

Error (ppm)

Formula

MS/MS fragments

Identification

Reference

Source

N1

3.6

535.166

535.1668

− 14.95

C21H30O13

525, 489, 323, 235, 215

Tectoruside

[3, 19]

BC, ITM

N2

3.96

583.1314

583.1305

15.43

C25H28O16

535, 489, 403, 352, 307, 273

Neomangiferin

[3, 18, 19]

BC

N3

4.23

373.1141

373.114

2.68

C15H20O8

363, 273, 235, 215

Androsin

[3, 19]

BC, ITM

N4

5.12

421.078

421.0776

9.50

C19H18O11

364, 327, 307, 273, 235, 215

Mangiferin

[3, 18, 19]

BC, ITM

N5

5.35

421.0779

421.0776

7.12

C19H18O11

395, 333, 307, 273, 255, 235, 215

Isomangiferin

[3, 18]

BC, ITM

N6

6.40

435.0923

435.0933

− 22.98

C20H20O11

377, 339, 307, 275, 235, 215

7-O-methylmangiferin

[3, 18]

BC

N7

6.50

447.0926

447.0933

− 15.66

C21H20O11

327, 313, 285, 235, 215

Luteolin-6-C-β-d-glucoside

[3, 22]

BC, ITM

N8

6.93

435.0925

435.0933

− 18.39

C20H20O11

391, 352, 313, 275, 235, 215

7-O-methylisomangiferin

[3, 18]

BC

N9

6.95

623.1622

623.1618

6.42

C28H32O16

567, 537, 435, 313, 299, 284, 235,215

Tectorigenin-7-O-glucosyl-4′-O-glucoside

[3, 23]

BC, ITM

N10

7.11

463.1246

463.1246

0.00

C22H24O11

327, 273, 235, 215

Dihydrokaempferol-7-O-glucoside

[3, 23]

ITM

N11

7.37

653.1712

653.1723

− 16.84

C29H34O17

595, 509, 403, 329, 243

Iristectorigenin-A-7-O-β-glucosyl (1 → 6)-glucoside

[3, 18, 19]

BC

N12

7.57

431.0973

431.0984

− 25.52

C21H20O10

431, 269, 235, 215

Saponaretin

[3, 22]

BC, ITM

N13

7.57

477.1029

477.1038

− 18.86

C21H20O10

431, 269, 235

Genistein-7-O-glucoside

[3, 24]

BC, ITM

N14

7.92

461.1087

461.1089

− 4.34

C22H22O11

299

Tectoridina

[3, 18]

BC, ITM

N15

7.92

461.1087

461.1089

− 4.34

C22H22O11

413, 352, 329, 299, 284, 255

Tectorigenin-4′-O-β-d-glucoside

[3, 18]

BC, ITM

N16

7.92

507.1147

507.1144

5.92

C22H22O11

461, 299

Isotectorigenin-7-O-β-d-glucoside

[3, 18]

BC, ITM

N17

8.01

593.1499

593.1512

− 21.92

C27H30O15

507, 461, 299

Genistein-7-Ogentiobioside

[3, 25]

BC

N18

8.21

447.0925

447.0933

− 17.89

C21H20O11

352, 317, 273, 235, 215

Orobol-7-O-d-glucoside

[3, 24]

BC

N19

8.43

491.1202

491.1195

14.25

C23H24O12

329, 314, 227, 215

Iristectorin Aa

[3, 18, 19]

BC, ITM

N20

8.99

491.1201

491.1195

12.22

C23H24O12

329, 314, 227, 215

Iristectorin Ba

[3, 18, 19]

BC, ITM

N21

9.19

521.1293

521.1301

− 15.35

C24H26O13

427, 359, 344

Iridina

[3, 18]

BC, ITM

N22

9.19

567.1348

567.1355

− 12.34

C24H26O13

521, 507, 359, 344

Isoiridin

[3, 18]

BC, ITM

N23

9.83

257.0815

257.0819

− 15.56

C15H14O4

246, 230, 215

Gnetucleistol D

[3]

BC, ITM

N24

11.57

653.1708

653.1723

− 22.96

C29H34O17

326, 299, 269

Iristectorin-B-4′-O-glucoside

[3, 18]

ITM

N25

11.68

519.113

519.1144

− 26.97

C24H24O13

326, 268, 230

Dichotomitin-3′-O-glucoside

[3, 18, 19]

BC, ITM

N26

11.84

299.0557

299.0561

− 13.38

C16H12O6

284, 268, 242, 230, 215, 195

Tectorigenina

[3, 18, 19]

BC, ITM

N27

12.02

641.151

641.1512

− 3.12

C31H30O15

459, 299

6′′-O-phydroxybenzoyliridin

[3, 18]

BC, ITM

N28

12.04

671.1599

671.1618

− 28.31

C32H32O16

641, 613, 359, 326, 299

6′′-O-vanilloyliridin

[3, 18]

BC, ITM

N29

12.18

329.0667

329.0667

0.00

C17H14O7

315, 286, 268, 242

Iristectorigenin Ba

[3, 18, 19]

BC, ITM

N30

12.43

329.0667

329.0667

0.00

C17H14O7

315, 286, 268, 242, 198

Iristectorigenin Aa

[3, 18]

BC, ITM

N31

12.46

301.0715

301.0718

− 9.96

C16H14O6

280, 273, 242, 215

Dihydrokaempferide

[3, 23]

BC, ITM

N32

12.51

359.0763

359.0772

− 25.06

C18H16O8

344, 329, 181

Irigenina

[3, 18]

BC, ITM

N33

13.66

297.0406

297.0405

3.37

C16H10O6

280, 258, 230, 215

Irilone

[3, 18, 19]

BC, ITM

N34

13.68

343.0822

343.0823

− 2.91

C18H16O7

318, 297, 280

Dalspinosin

[3]

BC, ITM

N35

13.94

327.0511

327.051

3.06

C17H12O7

294, 258, 230

Iriflogenin

[3]

BC, ITM

N36

13.94

373.0919

373.0929

− 26.80

C19H18O8

336, 294, 280, 258, 230, 215

Junipegenin C

[3, 18]

BC

N37

14.04

357.0607

357.0616

− 25.21

C18H14O8

294, 230

Dichotomitina

[3, 18, 19]

BC

  1. aAuthentic standards