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. 2020 Oct 26;25(21):4935. doi: 10.3390/molecules25214935

Table 3.

Mass spectral information of all compounds identified in hydroethanolic leaf extract of T. officinale.

Sr No. Retention Time (min) [M − H] (m/z) Predicted Formula MS/MS Fragments (m/z) Identification Classification
1 0.69 317 C15H10O8 226, 165 Myricetin Flavonoid
2 0.78 451 C21H24O11 415, 405, 307, 235 Curculigoside B Phenolic glucoside
3 0.79 191 C7H12O6 173, 127, 111, 93, 85 Quinic acid Organic acid
4 0.81 215 C10H9Na4 179, 161, 119, 89 Sodium ferulate Ferulic acid
5 0.94 133 C4H6O5 Not fragmented 2-Hydroxy-succinicacid Organic acid
6 6.22 177 C9H6O4 Not fragmented Daphnetin Coumarin
7 7.14 421 C19H18O11 331, 301 Isomangiferin Xanthone
8 7.26 385 C19H30O8 205, 153 Apocynoside1 Ionone glucoside
9 7.29 553 C30H34O10 517 Lappaol C Lignan
10 7.78 387 C19H32O8 Not fragmented IcarisideB4 Ionone glycoside
11 7.96 609 C27H30O16 447 Kempferol-3,7-diglucoside Flavonoid
12 8.05 537 C26H34O12 327 (−)-Olivil-4′-O-β-d-glucopyranoside Lignan
13 9.33 579 C26H28O15 285 Kempferol-3-O-β-d-glucoside-7-O-α-l-arabinofuranoside Flavonoid
14 9.34 535 C26H32O12 373, 285 Nortrachelogenin5′-C-β-glucoside Flavonoid
15 9.44 593 C27H30O15 285 Isovitexin-3″-O-glucopyranoside Flavonoid
16 9.66 447 C21H20O11 429, 285, 256 Kempferol-3-O-β-d-glucopyranoside Flavonoid
17 10.80 431 C21H20O10 269 Kempferol-3-O-rhamnoside Flavonoid
18 10.82 489 C23H22O12 447, 285 Luteolin7-O-β-d-(6″-acetyl)-glucopyranoside Flavonoid
19 11.32 723 713, 677, 659 Derivative of heptanone
20 15.72 479 C23H28O11 429, 414, 397 Bruceine B Quassinoid (lactone)
21 15.74 327 C18H32O5 229, 171 Oxo-dihydroxy-octadecenoic acid Fatty acid