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. 2018 Sep 15;23(9):2361. doi: 10.3390/molecules23092361

Table 1.

UHPLC PDA and HR-MS analysis of P. quadrangularis ethanol extract.

Peak Number UV Max (nm) Tentative Identification Elemental Composition
[M – H]− 		Retention Time (min) Theoretical Mass (m/z) Measured Mass (m/z) MSn Ions
1 238–310 Dicaffeoyl quinic acid C25H23O12− 10.65 515.11938 515.11840 353.08774, chlorogenic acid, 191.05554 (quinic acid)
2 270–310 Euphorbetin C18H9O8− 11.92 353.03046 353.02919 177.01871
3 310 Caffeic acid * C9H7O4− 12.62 179.03498 179.03441 108.02070(C6H8O2−;
–CH=CHCOO–)
4 288 Hydroxy-hesperetin C16H13O7− 13.24 317.06668 317.06656 125.02354 (C6H5O3−); 207.06560 (C11H11O4−)
5 281 Hydroxyeriodictyol C15H11O7− 11.92 303.05103 303.05090 125.02360 (C6H5O3−)
6 265–365 Kaempferol * C15H9O6− 13.67 285.04046 285.04028 135.04431 (C8H7O2−)
7 254–365 Isorhamnetin * C16H11O7− 14.23 315.05103 315.05090 300.05090 (C15H8O7−)
8 255–375 6-Hydroxytrimethoxymyricetin C18H15O9− 15.55 375.07211 375.07202 315.01437 (C15H7O8−); 271.02448 (C14H7O5−)
9 287 Eriodictyol * C15H11O6− 13.55 287.05611 287.05597 243.02946 (C13H7O5−)
10 255–373 8-Isoprenyl-7,4′-dimethoxymyricetin C22H21O8− 15.97 413.12419 413.12411 145.02867 (C9H5O2−);
249.07637 (C13H13O5−)
11 255–375 3′,5′-Dimethoxymyricetin C17H13O8− 14.36 345.06159 345.06152 315.01422 (C15H7O8−)
12 255–373 3′,4′-Dimethoxymyricetin * C18H15O8− 16.86 345.06159 345.06149 285.04007 (C15H9O6−); 125.02357 (C6H5O3−);
13 255–373 8-Isoprenyl-7,3′,4′-trimethoxymyricetin C23H23O8− 17.64 427.13984 427.13977 145.02869 (C9H5O2−);
263.09210 (C14H15O5−)
14 254–365 7,3′-Dimethoxyquercetin(7-O-methyl-isorhamnetin) C17H13O7− 18.21 329.06668 329.06662 299.01953 (C15H7O7−)
15 287 Hesperetin * C16H13O6− 18.42 301.07176 301.07159 135.04431 (C8H7O2−)
16 255–373 7,3′,5′-Trimethoxymyricetin C18H15O8− 15.98 359.07724 359.07715 284.03229 (C15H8O6−)
17 205 18-O-Malonyl-Bacchalineol C23H31O5− 19.86 387.21770 387.21771 -
18 203 Adenolin C C23H33O8− 19.43 437.21809 437.21780 299.01953 (C15H7O7−)
19 285 Methoxyeriodictyol C16H13O6− 19.68 301.07176 301.07166 135.04430 (C8H7O2−)
20 255–373 6-Hydroxy-3,7,3′,5′-tetramethoxymyricetin C19H17O9− 19.87 389.08781 389.08780 359.04031 (C17H11O9−,
-2CH3)
21 265–365 8-Isoprenyl-7,4′-dimethoxykaempferol C22H21O6− 20.01 381.13436 381.13425 119.04949 (C8H7O−)
22 205 11-Acetoxy-11,12-dehydrated adenolin C C25H33O9− 20.25 477.21301 477.21249 -
23 217 11-Acetoxy-7-methoxyadenolin C C26H37O9− 20.27 493.24431 493.24384 -
24 254–354 3,7,3′-Trimethoxyquercetin(3,7-di-O-methyl-isorhamnetin) * C18H15O7− 20.49 343.08233 343.08203 313.03491 (C16H9O7−)
25 217 Bacchalineol 18-O-malonate methyl ester C25H35O5− 20.52 401.23340 401.23225 -
26 255–373 5,7-Dihydroxy-3,8,3′,4′-Tetramethoxyflavone C19H17O8− 20.84 373.09277 373.09271 343.04556 (C17H11O8-)
27 254–355 p-Coumaroyloxytremetone C22H19O5− 20.93 363.12380 363.12378 121.02878 (C7H5O2−)
28 207 Bacchalineol 18-O-malonate ethyl ester C25H35O5− 21.05 415.24899 415.24790
29 218 Bacchalineol C20H29O2− 21.26 301.21730 301.21840 -
30 265–365 3-O-Acetyl-8-isoprenyl-7,5,4′-trimethoxykaempferol C25H25O7− 21.75 437.16058 437.16046 119.04943 (C8H7O−);
163.03926 (C9H7O3−)
31 210 1,2,19-Trihydroxy-18-acetyl-solidagoiol A C22H31O6− 21.54 391.21261 391.21252 287.20145 (C19H27O2−)
32 207 Adenolin C 11,12 dehydrated derivative C23H31O7− 21.76 419.20753 419.20746 289.21698 (C19H29O2−)
33 207 1,18-Dihydroxysolidagoic acid C20H27O5− 22.01 347.18640 347.18637
34 207 Hawtriwaic acid C20H27O4− 22.45 331.19148 331.19141 -
35 265–365 3-O-Acetyl-8-isoprenyl-7,4′-dimethoxykaempferol C24H23O7− 22.58 423.14493 423.14487 119.04947 (C8H7O−); 163.03931 (C9H7O3−)
36 205 19-Hydroxy-solidagoiol A acetate C22H31O4− 22.78 359.22278 359.22278 211.07591 (C14H11O2−)
37 - p-Cinammoyloxytremetone C22H19O4− 22.86 347.12888 347.12892
38 232–272 8-Isoprenyl-7,4′-dimethoxyapigenin C22H21O5− 23.66 365.13945 365.13947 119.04942 (C8H7O−);
201.09149 (C13H13O2−)
39 205 Barticulidiol diacetate C24H33O5− 24.15 401.23335 401.23328 333.20688 (C20H29O4−)
40 205 Bacchalineol acetate C22H31O3− 25.74 343.22787 343.22784 -
41 254–355 8-Iisoprenyl-7-methoxyquercetin C21H19O7− 26.35 383,11363 383.11353 119.04935 (C8H7O−);
163.03922 (C9H7O3−)
42 270–310 Umbelliferone C9H6O3− 26.43 162.03169 162.03124
43 270–310 Scopoletin 26.78 192.04226 192.04220

* Identification made using authentic standards.