Table 3.
Chemical composition of S. verbenaca extract.
| Peak | RT | Measured m/z | Molecular Formula | Proposed Compounds | Main Fragments |
|---|---|---|---|---|---|
| 1 | 1.01 | 195.0538 | C6H12O7 | Gluconic acid | NF |
| 2 | 1.14 | 133.0165 | C4H6O5 | Malic acid | NF |
| 3 | 1.28 | 191.0226 | C6H8O7 | Citric acid | NF |
| 4 | 1.58 | 96.9610 | - | Sulfate | NF |
| 5 | 1.73 | 96.9610 | - | Sulfate | NF |
| 6 | 2.20 | 191.0559 | C7H12O6 | Quinic acid | NF |
| 7 | 2.39 | 395.0965 | C18H20O10 | Acetylisobiflorin | 179 |
| 8 | 2.74 | 315.0723 | C13H16O9 | Gentisoyl glucoside | 152, 108 |
| 9 | 2.85 | 551.1058 | C24H24O15 | Phloroscorbinol hexaacetate | NF |
| 10 | 3.19 | 153.0188 | C7H6O4 | Dihydroxybenzoic acid | 109 |
| 11 | 3.38 | 181.0502 | C9H10O4 | Dihydrocaffeic acid isomer 1 | 135 |
| 12 | 3.67 | 175.0608 | C7H12O5 | Isopropylmalic acid | NF |
| 13 | 4.35 | 391.0667 | C18H16O10 | Pentahydroxy trimethoxy flavone isomer 1 | 347, 303 |
| 14 | 4.55 | 325.0927 | C15H18O8 | p-Coumaric acid glucoside | 163 |
| 15 | 4.72 | 391.0661 | C18H16O10 | Pentahydroxy trimethoxy flavone isomer 2 | 347, 303 |
| 16 | 5.66 | 475.0886 | C22H20O12 | Chrysoeriol glucuronide | 299, 227 |
| 17 | 6.22 | 475.1833 | C21H32O12 | Cistanoside E | 179, 135 |
| 18 | 6.32 | 181.0504 | C9H10O4 | Dihydrocaffeic acid isomer 2 | NF |
| 19 | 6.80 | 179.0346 | C9H8O4 | Caffeic acid | 135 |
| 20 | 7.34 | 593.1158 | C30H26O13 | O-coumaroyl orientin | NF |
| 21 | 7.65 | 639.1199 | C27H28O18 | Quercetin glucosyl-glucuronide isomer 1 | 463, 300 |
| 22 | 7.89 | 405.0834 | C19H18O10 | Glucopyranosyl-trihydroxy-9H-xanthen-9-one | 273, 317, 387 |
| 23 | 8.12 | 639.1157 | C27H28O18 | Quercetin glucosyl-glucuronide isomer 2 | 299 |
| 24 | 8.20 | 589.0826 | C19H26O21 | Unknown 1 | |
| 25 | 8.28 | 783.1637 | C33H36O22 | Quercetin glucoside derivative | 607, 505, 463, 300, 545 |
| 26 | 8.48 | 353.0876 | C16H18O9 | Caffeoyl quinic acid | 191, 179 |
| 27 | 8.63 | 347.0777 | C17H16O8 | Dihydroxy tetramethoxyxanthone | NF |
| 28 | 8.78 | 655.1288 | C31H28O16 | Acetylated flavonol glycoside isomer 1 | 285, 461, 447 |
| 29 | 8.86 | 329.0774 | C14H18O9 | Flavonol derivative | 285 |
| 30 | 8.92 | 655.1292 | C31H28O16 | Acetylated flavonol glycoside isomer 2 | 285, 461 |
| 31 | 8.96 | 655.1299 | C31H28O16 | Acetylated flavonol glycoside isomer 3 | 285, 461, 447 |
| 32 | 9.02 | 637.1058 | C27H26O18 | Luteolin diglucuronide | 351, 285 |
| 33 | 9.10 | 571.1082 | C27H24O14 | Yunnaneic acid E isomer 1 | 197, 285, 135, 527, 241, 329, 439 |
| 34 | 9.23 | 571.1083 | C27H24O14 | Yunnaneic acid E isomer 2 | 197, 135, 285, 347, 527, 241, 483, 439 |
| 35 | 9.29 | 539.1189 | C27H24O12 | Yunnaneic acid D | 297, 179, 197, 161, 135, 359 |
| 36 | 9.35 | 415.1953 | C20H32O9 | Yunnaneic acid derivative 1 | 329, 179, 161, 297 |
| 37 | 9.47 | 597.1263 | C29H26O14 | Yunnaneic acid F | 197, 135, 329, 179 |
| 38 | 9.63 | 309.0616 | C14H14O8 | Feruloylmalic acid | 193, 134 |
| 39 | 9.71 | 555.1157 | C27H24O13 | Salvianolic acid K isomer 1 | 197, 135, 329, 179 |
| 40 | 9.76 | 585.1273 | C28H26O14 | Naringenin digalloylglucopyranoside isomer 1 | 271 |
| 41 | 9.79 | 585.1244 | C28H26O14 | Naringenin digalloylglucopyranoside isomer 2 | 271 |
| 42 | 9.84 | 585.1221 | C28H26O14 | Naringenin digalloylglucopyranoside isomer 3 | 271 |
| 43 | 9.87 | 461.0740 | C21H18O12 | Luteolin glucuronide | 285 |
| 44 | 9.95 | 361.0938 | C18H18O8 | Crotepoxide | 273, 241 |
| 45 | 10.03 | 527.1208 | C26H24O12 | Yunnaneic acid derivative 2 isomer 1 | 135, 197, 179, 285 |
| 46 | 10.15 | 719.1629 | C36H32O16 | Sagerinic acid | 359, 161, 197, 179 |
| 47 | 10.24 | 527.1198 | C26H24O12 | Yunnaneic acid derivative 2 isomer 2 | 285, 197, 135, 241, 179, 439 |
| 48 | 10.33 | 717.1479 | C33H34O18 | Salvianolic acid L | 359, 161, 197 |
| 49 | 10.49 | 511.1293 | C26H24O11 | Salvianolic acid A hydrate | 269, 197, 135, 179 |
| 50 | 10.58 | 343.0924 | C22H16O4 | Unknown 2 | |
| 51 | 10.64 | 555.1153 | C27H24O13 | Salvianolic acid K isomer 2 | 359, 161, 135, 493, 401, 537 |
| 52 | 10.74 | 711.3987 | C37H60O13 | Hydroxytormentic acid derivative isomer 1 | 503 |
| 53 | 10.87 | 533.1302 | C25H26O13 | Yunnaneic acid derivative 3 isomer 1 | 197 |
| 54 | 10.93 | 541.1365 | C27H26O12 | Yunnaneic acid derivative 4 | 197, 509, 135, 179 |
| 55 | 10.95 | 533.1315 | C25H26O13 | Yunnaneic acid derivative 3 isomer 2 | 197 |
| 56 | 10.99 | 537.1053 | C27H22O12 | Lithospermic acid A | 295, 161, 359, 135, 197, 493 |
| 57 | 11.06 | 651.2319 | C31H40O15 | Martynoside | 175, 475 |
| 58 | 11.17 | 373.0936 | C19H18O8 | Methyl rosmarinate isomer 1 | 197, 161 |
| 59 | 11.21 | 373.0917 | C19H18O8 | Methyl rosmarinate isomer 2 | 135, 175, 197 |
| 60 | 11.38 | 711.3966 | C37H60O13 | Hydroxytormentic acid derivative isomer 2 | 503 |
| 61 | 11.43 | 481.1125 | C25H22O10 | Silybin | 301, 283 |
| 62 | 11.62 | 493.1144 | C26H22O10 | Salvianolic acid A | 295 |
| 63 | 11.71 | 479.0992 | C25H20O10 | Dehydrosilybin | 299, 281 |
| 64 | 11.76 | 491.0985 | C26H20O10 | Salvianolic acid C | 293 |
| 65 | 11.99 | 327.2151 | C18H32O5 | Trihydroxyoctadecadienoic acid | NF |
| 66 | 12.19 | 695.4023 | C37H60O12 | Unknown 3 | |
| 67 | 12.47 | 329.2330 | C18H34O5 | Pinellic acid | NF |
| 68 | 12.57 | 523.1242 | C27H24O11 | Salvianolic acid derivative | 135, 179, 491, 359 |
| 69 | 12.77 | 345.1717 | C20H26O5 | Rosmanol isomer 1 | NF |
| 70 | 13.56 | 307.1909 | C18H28O4 | Unknown 4 | |
| 71 | 14.20 | 345.1702 | C20H26O5 | Rosmanol isomer 2 | 301, 283 |
| 72 | 14.32 | 311.2206 | C18H32O4 | Octadecenedioic acid | NF |
| 73 | 14.74 | 331.1918 | C20H28O4 | Carnosic acid | 287, 244 |
| 74 | 14.99 | 721.3674 | C34H58O16 | Palmitoleic-linolenicglucoside | 397, 277, 415, 235 |
| 75 | 15.80 | 293.2116 | C18H30O3 | Hydroxylinolenic acid isomer 1 | NF |
| 76 | 15.82 | 293.2119 | C18H30O3 | Hydroxylinolenic acid isomer 2 | NF |
| 77 | 16.39 | 295.2276 | C18H32O3 | Hydroxylinoleic acid | NF |
| 78 | 16.68 | 455.3168 | C29H44O4 | Diosgenin acetate | NF |
| 79 | 17.22 | 471.3479 | C30H48O4 | Maslinic acid isomer 1 | NF |
| 80 | 17.36 | 471.3485 | C30H48O4 | Maslinic acid isomer 2 | NF |