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. 2019 Jul 2;9(36):20593–20602. doi: 10.1039/c9ra02042j

High-resolution liquid chromatography/electrospray ionization (LC-HRESIMS) TV-AE component identification.

Namea Molecular formula PubChem CID [M]Hbm/z Retention time Concentration (ppm)
Quinic acid C7H12O6 6508 191.00 1.978 364.647
Gallic acid C7H6O5 370 169.00 3.989 6.688
Protocatechuic acid C7H6O4 72 153.00 6.890 46.790
Catechin(+) C15H14O6 73 160 289.00 11.382 1.311
Chlorogenic acid C16H18O9 1 794 427 353.00 11.615 2.493
4-O-Caffeoylquinic acid C16H18O9 5 281 780 353.00 11.612 2.558
Caffeic acid C9H8O4 689 043 179.00 14.603 37.468
Syringic acid C9H10O5 10 742 197.00 16.190 24.471
p-Coumaric acid C9H8O3 637 542 163.00 21.061 17.003
trans Ferulic acid C10H10O4 445 858 193.00 23.276 3.501
Hyperoside (quercetin-3-o-galactoside) C21H20O12 5 281 643 463.00 24.864 10.149
Rutin C27H30O16 5 280 805 609.00 23.941 28.653
o-Coumaric acid C9H8O3 637 540 163.00 26.598 1.258
Luteolin-7-o-glucoside C21H20O11 5 280 637 447.00 24.800 46.983
3,4-Di-O-caffeoylquinic acid C25H24O12 5 281 780 515.00 25.146 24.494
Quercetrin (quercetin-3-o-rhamnoside) C21H20O11 15 939 939 447.00 27.267 7.219
Rosmarinic acid C18H16O8 5 315 615 359.00 26.434 5066.278
Naringin C27H32O14 442 428 579.00 26.168 11.984
Apigenin-7-o-glucoside C21H20O10 45 933 926 431.00 27.291 3.393
trans Cinnamic acid C9H8O2 444 539 147.00 32.184 41.109
Quercetin C15H10O7 5 280 343 301.00 32.175 35.730
Kampherol C15H10O6 5 280 863 285.00 32.218 35.972
Naringenin C15H12O5 439 246 271.00 34.164 37.425
Silymarin C25H22O10 31 553 481.00 34.290 1.547
Apigenin C15H10O5 5 280 443 269.00 34.768 35.701
Luteolin C15H10O6 5 280 445 285.00 35.175 1.270
Acacetin C16H12O5 5 280 442 283.00 40.566 11.362
a

The compounds are suggested according to the dictionary of natural products and the characteristic fragmentation pattern.

b

The formulas were deduced from the quasi molecular ion peak [M + H]+.