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. 2023 Dec 24;25(1):280. doi: 10.3390/ijms25010280

Table 2.

Compounds identified and quantified in T. erecta extract.

Formula RT (min) [M-H], m/z Mass Proposed Compound Concentration (mg Standard eq/g Extract ± SD) Peak in Figure 1
C7H12O6 3.42 191.0569 192.0641 Quinic acid a 5.49 ± 0.02 1
C13H22O11 3.55 707.2265 354.1168 Quinic acid hexoside isomer 1 a 0.20 ± 0.01 2
C13H22 O11 4.9 707.2267 354.1176 Quinic acid hexoside isomer 2 a 0.16 ± 0.01 3
C14H16O10 7.47 343.0676 344.0749 Theogallin isomer 1 b 0.3 ± 0.002 4
C14H16O10 9.06 687.1427 344.0749 Theogallin isomer 2 b 0.22 ± 0.01 5
C12H22O9 9.94 309.1201 310.1273 Deoxy-fructofuranosyl deoxy-glucopyranoside/fructofuranosyl dideoxy-xylo-hexopyranoside c 76.0 ± 3.00 6
C26H30O19 11.69 645.1322 646.1393 Digalloyl-dihexoside b 0.51 ± 0.01 7
C21H20O14 11.95 495.0793 496.0864 Digalloylquinic acid b 0.29 ± 0.003 8
C20H20O14 12.09 483.0785 484.0857 Digalloyl-hexoside b 0.08 ± 0.001 9
C19H26O12 12.12 445.1359 446.1428 [(Xylopyranosyl-glucopyranosyl)oxy]benzeneacetic acid c 0.92 ± 0.01 10
C33H34O23 12.2 797.1436 798.1506 Trigalloyl-dihexoside b 0.53 ± 0.01 11
C28H32O18 12.31 655.1525 656.1596 Patuletin gentiobioside d 0.63 ± 0.02 12
C16H18O9 12.9 353.0884 354.0956 Caffeoylquinic acid a 0.26 ± 0.004 13
C24H28O15 13.15 555.1363 556.1435 Syringic acid-(dihydroxydimethoxybenzoic acid)-hexoside isomer 1 e 1.8 ± 0.1 14
C24H28O15 13.39 555.1366 556.1438 Syringic acid-(dihydroxydimethoxybenzoic acid)-hexoside isomer 2 e 4.0 ± 0.1 15
1C20H28O12 13.66 459.1514 460.1586 Apiopaeonoside/paeonolide c 1.35 ± 0.04 16
C20H16O13 13.77 463.0522 464.0594 Ellagic acid-hexoside b 0.07 ± 0.002 17
C15H14O10 14.59 353.0524 354.0596 Coumaroylhydroxycitric acid f 2.5 ± 0.1 18
C28H32O18 14.72 655.1519 656.1591 Patuletin 3-gentiobioside d 0.55 ± 0.01 19
C21H20O13 14.88 959.1753 480.0919 Quercetagetin-3-O-hexoside d 4.0 ± 0.04 20
C28H24O17 15.13 631.0946 632.1017 Quercetagetin-7-O-(galloyl-hexoside) d 0.5 ± 0.01 21
C24H28O14 15.32 539.1412 540.1484 Di-syringic acid hexoside isomer 1 e 2.25 ± 0.04 22
C24H28O14 15.66 539.1409 540.1481 Di-syringic acid hexoside isomer 2 e 3.3 ± 0.1 23
C22H22O13 16.24 987.2069 494.1079 Patulitrin isomer 1 g 76.0 ± 1.0 24
C14H6O8 16.36 300.9996 302.0068 Ellagic acid b 0.12 ± 0.004 25
C29H26O17 16.45 645.1109 646.1180 Caffeoyl-digalloyl—glucopyranose b 0.298 ± 0.005 26
C16H16O10 16.71 367.0682 368.0754 Methoxy-oxo-benzopyranyl glucopyranosiduronic acid c 12.4 ± 0.3 27
C29H26O16 16.95 629.1151 630.1223 Coumaroyl-digalloylglucose/coumaroyl-digalloyl-glucopyranoside f 0.336 ± 0.1 28
C22H22O13 17.45 493.0994 494.1066 Patulitrin isomer 2 g 4.3 ± 0.1 29
C24H22O14 17.51 533.0941 534.1013 Luteolin (malonylglucoside)/apigenin (malonylglucoside)/kaempferol (malonyl-glucoside) h 1.6 ± 0.1 30
C22H22O12 17.65 477.1048 478.1120 Isorhamnetin hexoside h 22.6 ± 0.2 31
C15H10O8 18.08 317.0312 318.0384 Quercetagetin d 22.0 ± 1.0 32
C22H22O13 18.1 493.0992 494.1064 Patulitrin isomer 3 g 4.2 ± 0.1 33
C15H10O6 21.38 285.0415 286.0487 Luteolin i 0.45 ± 0.02 34
C16H12O8 21.58 331.0469 332.0542 Methoxyquercetin j 47.0 ± 1.0 35
C16H12O7 24.06 315.0519 316.0591 Isorhamnetin i 0.98 ± 0.04 36

a quantified based on quinic acid; b quantified based on gallic acid; c quantified based on sucrose; d quantified based on quercetin-3-glucoside; e quantified based on syringic acid; f quantified based on p-coumaric acid; g quantified based on luteolin-glucoside; h quantified based on luteolin 7-glucoside; i quantified based on luteolin; j quantified based on quercetin.