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

From: Chromatographic fingerprints analysis and determination of seven components in Danmu preparations by HPLC–DAD/QTOF-MS

No.t (min)Molecular formulaIdentification[M+H]+/[M−H] (m/z)Fragmentations (m/z)
Measured mass (m/z)Error (ppm)
1a3.954C7H12O6Quinic acid191.0558 [M−H]− 1.6127.0389, 109.0293, 93.0344
26.225C6H8O7Unknown191.0195 [M−H]− 1.2173.0085, 111.0089, 87.0090
3a,d (peak 1)17.046C7H6O4Protocatechuic acid153.0194 [M−H]0.4109.0294 [M−H−CO2], 91.0188 [M−H−CO2−H2O], 81.0350
4a,d (peak 14)18.787C16H18O9Neochlorogenic acid353.0876 [M−H]− 0.6191.0559 [M−H−C9H6O3], 179.0352 [M−H−C7H10O5], 135.0449 [M−H−C7H10O5−CO2]
5c (peak 4)20.341C16H24O10Loganic acid375.1290 [M−H]− 1.8213.0769 [M−H−Glu], 169.0879, 112.9856
6a (peak 5)20.505C7H6O3p-hydroxybenzoic acid137.0244 [M−H]− 0.1108.0219, 93.0348
7a,d (peak 15)23.840C16H18O9Cryptohlorogenic acid353.0876 [M−H]− 0.6191.0560 [M−H−C9H6O3], 179.0346 [M−H−C7H10O5], 173.0455 [M−H−C9H6O3−H2O], 135.0454 [M−H−C7H10O5−CO2]
8b (peak 7)23.905C20H30O13Kelampayoside A477.1610 [M−H]− 0.8375.0696, 293.0880 [M−H−C9H12O4], 206.9728
9a,d (peak 16)25.304C16H18O9Chlorogenic acid353.0873 [M−H]− 1.4191.0561 [M−H−C9H6O3]
10c,d (peak 8)26.211C16H22O9Sweroside359.1337 [M+H]+0.1197.0805 [M+H−Glu]+, 179.0703 [M+H−Glu−H2O]+, 127.0390 [M+H−Glu−C4H6O]+
1129.558C26H30N2O10Unknown531.1976 [M+H]+0.5369.1449, 281.0551, 233.0673, 241.1749
12b30.041C26H34N2O9Naucleamide A-10-O-β-d-glucopyranoside519.2332 [M+H]+− 0.6357.1808 [M+H−Glu]+, 339.1703 [M+H−Glu−H2O]+
13b31.573C26H30N2O910-hydroxystrictosamide (10-hydroxy vincosamide)515.2029 [M+H]+1.0353.1497 [M+H−Glu]+, 283.1071 [M+H−Glu−C4H6O]+
14b32.350C26H28N2O93-epi-pumiloside513.1872 [M+H]+0.9351.1354 [M+H−Glu]+, 333.0861 [M+H−Glu−H2O]+, 281.0537 [M+H−Glu−C4H6O]+
15b34.338C28H34N2O115-β-carboxystrictoside575.2239 [M+H]+0.6413.1709 [M+H−Glu]+, 395.1608 [M+H−Glu−H2O]+, 343.1288 [M+H−Glu−C4H6O]+
16b (peak 9)35.349C26H28N2O9Pumiloside513.1874 [M+H]+1.3351.1334 [M+H−Glu]+, 333.1233 [M+H−Glu−H2O]+, 281.0922 [M+H−Glu−C4H6O]+
17 (peak 11)38.786C26H30N2O10Unknown531.1976 [M+H]+0.5369.1441, 299.1028,281.0507
18b,d (peak 12)44.881C26H30N2O8Strictosamide499.2085 [M+H]+2.0337.1538 [M+H−Glu]+, 319.1447 [M+H−Glu−H2O]+, 267.1129 [M+H−Glu−C4H6O]+
19b45.048C27H32N2O103α, 5α-tetrahydrodeoxycordifoline lactam543.1975 [M−H]− 1.7497.1941 [M−H−CH2O2], 335.1398 [M−H−Glu−CH2O2]
317.1290 [M−H−Glu−CH2O2−H2O], 265.0979 [M−H−Glu−CH2O2−H2O−C4H4]
2046.146C24H23N3O4Unknown418.1761 [M+H]+− 0.1400.2261, 332.1396, 218.1420
21b47.449C20H17N3O2Angustoline332.1383 [M+H]+− 3.2
2249.228C21H30N2O7Unknown390.1779 [M + H]+− 1.6327.1983, 158.1519, 133.0844
23b,d (peak 13)49.480C26H30N2O8Vincosamide499.2065 [M+H]+− 2.0337.1551 [M+H−Glu]+, 319.1427 [M+H−Glu−H2O]+, 267.1131 [M+H−Glu−C4H6O]+
  1. Peaks indicated the chromatographic peaks shown on the HPLC chromatogram
  2. aRepresented phenolic acids
  3. bRepresented alkaloids
  4. cRepresented iridoids
  5. dIndicated compounds identified by comparing with the reference substances