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. 2020 Apr 26;25(9):2022. doi: 10.3390/molecules25092022

Table 3.

Chemical components identified by UPLC-ESI(–)-HRMS in the methanol (ME), water/methanol (HA) and ethyl acetate (EtOAc) extracts of S. sipylea.

No. Compound tR
(min)		 [M − H]−
m/z 		Error Suggested HRMS2
[M − H]− 		S. sipylea Ref.
(ppm) Formula ME HA EtOAc
1 6-O-Caffeoyl-glucose 0.84 341.1095 1.57 C12H21O11 179 * + + - -
2 Quinic acid 0.88 191.0568 3.71 C7 H11 O6 173, 127, 85 + + - -
3 Melittoside 2.37 523.1672 0.64 C21H31O15 478, 457, 287, 197 + + - [31]
4 Melittoside derivative 2.37 569.1726 0.51 C22H33O17 523, 179 + + + -
5 Unknown 3.57 375.1297 0.16 C16H23O10 213, 169, 151 + + - -
6 Chlorogenic acid 4.69 353.0880 0.50 C16H17O9 191, 179 + + - [32]
7 Unknown 5.36 435.1512 0.81 C18H27O12 389, 287, 197 + + + -
8 Feruloylquinic acid 6.03 367.1036 0.50 C17H19O9 287, 191 + + - [4]
9 Echinacoside 6.46 785.2509 −0.06 C35H45O20 623, 461 + + - [4]
10 Forsythoside B 6.58 755.2408 0.58 C34H43O19 623, 593, 461 + + - [32]
11 Verbascoside 6.78 623.1992 1.63 C29H35O15 477, 461, 315 + + + [4]
12 Samioside 6.91 755.2408 0.58 C34H43O19 623, 593, 461 + + - [4]
13 Apigenin 7-O-allosyl(1→2)glucoside 6.97 593.1518 1.01 C27H29O15 431, 269 + + - [33]
14 Isoscutellarein 7-O-allosyl(1→2)glucoside 7.11 609.1471 1.61 C27H29O16 447, 429, 285 + + - [4]
15 Isoverbascoside 7.18 623.1989 1.13 C29H35O15 461, 315 + + + [4]
16 Allysonoside 7.39 769.2563 0.31 C35H45O19 637, 593, 575, 461 + + - [4]
17 Hypolaetin 7-O-[6′’’-O-acetyl]-allosyl(1→2)glucoside 7.41 667.1517 0.12 C29H31O18 625, 463, 301 + + - [32]
18 Leucoseptoside A 7.66 637.2142 0.69 C30H37O15 491, 461, 443 + + - [4]
19 Apigenin 7-O-glucoside 7.76 431.0990 1.53 C21H19O10 269 + + - [4]
20 Apigenin 7-O-[6′’-O-acetyl]-allosyl(1→2)glucoside 8.00 635.1625 1.14 C29H31O16 593, 515, 269 + + - [33]
21 Luteolin 7-O-allosyl-(1→2)-[6′’-O-acetyl]-glucoside 8.12 651.1570 0.47 C29H31O17 591, 429, 285 + + + [32]
22 3′-O-Methylhypolaetin 7-O-[6′’’-O-acetyl]-allosyl(1→2)glucoside 8.41 681.1679 0.90 C30H33O18 639, 621, 459, 315 + + + [4]
23 4′-O-Methylisoscutellarein 7-O-allosyl(1→2)glucoside 8.79 623.1625 1.26 C28H31O16 461, 443, 299, 284 + + + [4]
24 Martynoside 9.33 651.2297 0.46 C31H39O15 505, 475, 457 + + + [5,33]
25 4′-O-Methylisoscutellarein 7-O-allosyl-(1→2)-[6′’-O-acetyl]-glucoside 9.96 665.1728 0.70 C30H33O17 623, 461, 299 + + + [4,32]
26 Isoscutellarein 7-O-[6′’’-O-acetyl]-allosyl-(1→2)-[6′’-O-acetyl]-glucoside 9.98 693.1644 −4.14 C31H33O18 651, 633, 471, 285 + - - [32]
27 Apigenin 7-(6′’-p-coumaroylglucoside) 10.28 577.1358 1.02 C30H25O12 431, 413, 307, 269 + + - [32]
28 Apigenin 7-(4′’-p-coumaroylglucoside) 11.11 577.1356 0.82 C30H25O12 431, 413, 307, 269 + + + [4,32]
29 4′-O-Methylisoscutellarein 7-O-[6′’’-O-acetyl]-allosyl-(1→2)-[6′’-O-acetyl]-glucoside 11.78 707.1829 0.05 C32H35O18 665, 647, 299, 284 + + + [4]
30 Sideritoflavone 12.04 359.0776 0.86 C18H15O8 344 - - + [5]
31 Luteolin derivative 12.54 313.0722 1.40 C17H13O6 298 + - + -
32 Xanthomicrol 13.10 343.0826 0.74 C18H15O7 328, 313 - - + [5,20]
33 Unknown 13.56 723.1722 0.35 C39H31O14 577, 559, 453, 269 + + - -

* Numbers in bold indicate the base peak ions according to the HRMS2 data.