Table 2 Identification of chemical constituents of Danmu preparations by HPLC-Q-TOF-MS

1^a

C₇H₁₂O₆

Quinic acid

191.0558 [M−H]⁻

− 1.6

127.0389, 109.0293, 93.0344

2

C₆H₈O₇

Unknown

191.0195 [M−H]⁻

− 1.2

173.0085, 111.0089, 87.0090

3^a,d (peak 1)

C₇H₆O₄

Protocatechuic acid

153.0194 [M−H]⁻

0.4

109.0294 [M−H−CO₂]⁻, 91.0188 [M−H−CO₂−H₂O]⁻, 81.0350

4^a,d (peak 14)

C₁₆H₁₈O₉

Neochlorogenic acid

353.0876 [M−H]⁻

− 0.6

191.0559 [M−H−C₉H₆O₃]⁻, 179.0352 [M−H−C₇H₁₀O₅]⁻, 135.0449 [M−H−C₇H₁₀O₅−CO₂]⁻

5^c (peak 4)

C₁₆H₂₄O₁₀

Loganic acid

375.1290 [M−H]⁻

− 1.8

213.0769 [M−H−Glu]⁻, 169.0879, 112.9856

6^a (peak 5)

C₇H₆O₃

p-hydroxybenzoic acid

137.0244 [M−H]⁻

− 0.1

108.0219, 93.0348

7^a,d (peak 15)

C₁₆H₁₈O₉

Cryptohlorogenic acid

353.0876 [M−H]⁻

− 0.6

191.0560 [M−H−C₉H₆O₃]⁻, 179.0346 [M−H−C₇H₁₀O₅]⁻, 173.0455 [M−H−C₉H₆O₃−H₂O]⁻, 135.0454 [M−H−C₇H₁₀O₅−CO₂]⁻

8^b (peak 7)

C₂₀H₃₀O₁₃

Kelampayoside A

477.1610 [M−H]⁻

− 0.8

375.0696, 293.0880 [M−H−C₉H₁₂O₄]⁻, 206.9728

9^a,d (peak 16)

C₁₆H₁₈O₉

Chlorogenic acid

353.0873 [M−H]⁻

− 1.4

191.0561 [M−H−C₉H₆O₃]⁻

10^c,d (peak 8)

C₁₆H₂₂O₉

Sweroside

359.1337 [M+H]⁺

0.1

197.0805 [M+H−Glu]⁺, 179.0703 [M+H−Glu−H₂O]⁺, 127.0390 [M+H−Glu−C₄H₆O]⁺

11

C₂₆H₃₀N₂O₁₀

Unknown

531.1976 [M+H]⁺

0.5

369.1449, 281.0551, 233.0673, 241.1749

12^b

C₂₆H₃₄N₂O₉

Naucleamide A-10-O-β-d-glucopyranoside

519.2332 [M+H]⁺

− 0.6

357.1808 [M+H−Glu]⁺, 339.1703 [M+H−Glu−H₂O]⁺

13^b

C₂₆H₃₀N₂O₉

10-hydroxystrictosamide (10-hydroxy vincosamide)

515.2029 [M+H]⁺

1.0

353.1497 [M+H−Glu]⁺, 283.1071 [M+H−Glu−C₄H₆O]⁺

14^b

C₂₆H₂₈N₂O₉

3-epi-pumiloside

513.1872 [M+H]⁺

0.9

351.1354 [M+H−Glu]⁺, 333.0861 [M+H−Glu−H₂O]⁺, 281.0537 [M+H−Glu−C₄H₆O]⁺

15^b

C₂₈H₃₄N₂O₁₁

5-β-carboxystrictoside

575.2239 [M+H]⁺

0.6

413.1709 [M+H−Glu]⁺, 395.1608 [M+H−Glu−H₂O]⁺, 343.1288 [M+H−Glu−C₄H₆O]⁺

16^b (peak 9)

C₂₆H₂₈N₂O₉

Pumiloside

513.1874 [M+H]⁺

1.3

351.1334 [M+H−Glu]⁺, 333.1233 [M+H−Glu−H₂O]⁺, 281.0922 [M+H−Glu−C₄H₆O]⁺

17 (peak 11)

C₂₆H₃₀N₂O₁₀

Unknown

531.1976 [M+H]⁺

0.5

369.1441, 299.1028,281.0507

18^b,d (peak 12)

C₂₆H₃₀N₂O₈

Strictosamide

499.2085 [M+H]⁺

2.0

337.1538 [M+H−Glu]⁺, 319.1447 [M+H−Glu−H₂O]⁺, 267.1129 [M+H−Glu−C₄H₆O]⁺

19^b

C₂₇H₃₂N₂O₁₀

3α, 5α-tetrahydrodeoxycordifoline lactam

543.1975 [M−H]⁻

− 1.7

497.1941 [M−H−CH₂O₂]⁻, 335.1398 [M−H−Glu−CH₂O₂]⁻

317.1290 [M−H−Glu−CH₂O₂−H₂O]⁻, 265.0979 [M−H−Glu−CH₂O₂−H₂O−C₄H₄]⁻

20

C₂₄H₂₃N₃O₄

Unknown

418.1761 [M+H]⁺

− 0.1

400.2261, 332.1396, 218.1420

21^b

C₂₀H₁₇N₃O₂

Angustoline

332.1383 [M+H]⁺

− 3.2

–

22

C₂₁H₃₀N₂O₇

Unknown

390.1779 [M + H]⁺

− 1.6

327.1983, 158.1519, 133.0844

23^b,d (peak 13)

C₂₆H₃₀N₂O₈

Vincosamide

499.2065 [M+H]⁺

− 2.0

337.1551 [M+H−Glu]⁺, 319.1427 [M+H−Glu−H₂O]⁺, 267.1131 [M+H−Glu−C₄H₆O]⁺