Table 1.
Monomers and oligomers identified by HR ESI-MS (negative ion mode) in the ellagitannin (ET), tea tannin (TT), gallotannin (GT), and condensed tannin (CT) mixtures. Identification of compounds was proposed on the basis of the molecular formula implied by the ion peak values with a mass tolerance of 10 ppm; RDB is the degree of unsaturation represented as rings and/or double bonds.
| ET-Mixture | TT-Mixture | GT-Mixture | CT-Mixture | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
|
m/z Formula RDB |
Compd |
m/z Formula RDB |
Compd |
m/z Formula RDB |
Compd |
m/z Formula RDB |
Compd |
m/z Formula RDB |
Compd |
m/z Formula RDBa |
Compd |
| 169.0132 C7H5O5 RDB = 5 |
Gallic acid | 289.0697 C15H13O6 RDB=9 |
EC monomer |
169.0133 C7H5O5 RDB=5 |
Gallic acid (G) | 289.0697 C15H13O6 RDB=9 |
(E)C monomer |
865.1932 C45H37O18 RDB=27 |
3 (E)C trimer |
1451.2636 C75H55O31 RDB=48 |
4 (E)C + (E)GC pentamer (3 A-type bonds) |
| 300.9968 C14H5O8 RDB = 12 |
Ellagic acid | 305.0645 C15H13O7 RDB=9 |
EGC monomer |
191.0549 C7H11O6 RDB=2 |
Quinic acid (Q) | 305.0644 C15H13O7 RDB=9 |
(E)GC monomer |
877.1555 C45H33O19 RDB=29 |
2 (E)C + (E)GC trimer (2 A-type bonds) |
1453.2787 C75H57O31 RDB=47 |
4 (E)C + (E)GC pentamer (2 A-type bonds) |
| 481.0586 C20H17O14 RDB = 12 |
Hexahydroxy diphenoyl-glucose |
441.0794 C22H17O10 RDB=14 |
ECG monomer |
343.0646 C14H15O10 RDB=7 |
1 Q + 1 G | 441.0794 C22H17O10 RDB=14 |
(E)CG monomer |
879.1717 C45H35O19 RDB=28 |
2 (E)C + (E)GC trimer (1 A-type bond) |
1455.2912 C75H59O31 RDB=46 |
4 (E)C + (E)GC pentamer (1 A-type bond) |
| 631.0528 C27H19O18 RDB = 18 |
Castalin | 457.0742 C22H17O11 RDB=14 |
EGCG monomer |
495.0742 C21H19O14 RDB=12 |
1 Q + 2 G | 457.0741 C22H17O11 RDB=14 |
(E)GCG monomer |
1147.2048 C60H43O24 RDB=39 |
4 (E)C tetramer (3 A-type bonds) |
1723.3264 C90H67O36 RDB=57 |
6 (E)C hexamer (3 A-type bonds) |
| 633.0658 C27H21O18 RDB = 17 |
Corilagin | 591.0946 C30H23O13 RDB=19 |
EC + EGC dimer (1 A-type bond) |
647.0840 C28H23O18 RDB=17 |
1 Q + 3 G | 575.1150 C30H23O12 RDB=19 |
2 (E)C dimer (1 A-type bond) |
1149.2216 C60H45O24 RDB=38 |
4 (E)C tetramer (2 A-type bonds) |
1725.3431 C90H69O36 RDB=56 |
6 (E)C hexamer (2 A-type bonds) |
| 635.0837 C27H23O18 RDB = 16 |
Tri-O-galloyl-glucose | 607.0893 C30H23O14 RDB=19 |
2 EGC dimer (1 A-type bond) |
799.0937 C35H27O22 RDB=22 |
1 Q + 4 G | 577.1306 C30H25O12 RDB=19 |
2 (E)C dimer |
1151.2376 C60H47O24 RDB=37 |
4 (E)C tetramer (1 A-type bond) |
1727.3500 C90H71O36 RDB=55 |
6 (E)C hexamer (1 A-type bond) |
| 783.0625 C34H23O22 RDB = 23 |
Pedunculagin | 647.0839 C30H24KO14 RDB=18 |
2 EGC dimer |
951.1036 C42H31O26 RDB=27 |
1 Q + 5 G | 591.0946 C30H23O13 RDB=19 |
(E)C + (E)GC dimer (1 A-type bond) |
1153.2532 C60H47O24 RDB=36 |
4 (E)C tetramer |
1729.3663 C90H73O36 RDB=54 |
6 (E)C hexamer |
| 785.0763 C34H25O22 RDB = 22 |
Tellimagrandin I | 799.0936 C37H28KO18 RDB=23 |
EGC + EGCG dimer |
1103.1134 C49H35O30 RDB=32 |
1 Q + 6 G | 607.0893 C30H23O14 RDB=19 |
2 (E)GC dimer (1 A-type bond) |
1165.2165 C60H45O25 RDB=38 |
3 (E)C + (E)GC tetramer (2 A-type bonds) |
1739.3183 C90H67O37 RDB=57 |
5 (E)C + (E)GC hexamer (3 A-type bonds) |
| 933.0565 C41H25O26 RDB = 29 |
Castalagin and/or Vescalagin | 951.1034 C45H36KO21 RDB=27 |
3 EGC trimer |
1255.1230 C56H39O34 RDB=37 |
1 Q + 7 G | 647.0839 C30H24KO14 RDB=18 |
2 (E)GC dimer |
1435.2684 C75H55O30 RDB=48 |
5 (E)C pentamer (3 A-type bonds) |
1741.3300 C90H69O37 RDB=56 |
5 (E)C + (E)GC hexamer (2 A-type bonds) |
| 1065.0978 C46H33O30 RDB = 30 |
Grandinin | 1103.1133 C52H40KO25 RDB=32 |
2 EGC + EGCG trimer |
861.1605 C45H33O18 RDB=29 |
3 (E)C trimer (2 A-type bonds) |
1437.2822 C75H57O30 RDB=47 |
5 (E)C pentamer (2 A-type bonds) |
1743.3071 C90H71O37 RDB=55 |
5 (E)C + (E)GC hexamer (1 A-type bond) |
||
| 863.1763 C45H35O18 RDB=28 |
3 (E)C trimer (1 A-type bond) |
1439.2955 C75H59O30 RDB=46 |
5 (E)C pentamer (1 A-type bond) |
||||||||
Epigallocatechin-3-O-gallate (EGCG), epigallocatechin (EGC), gallocatechin-3-O-gallate (GCG), gallocatechin (GC), catechin (C), epicatechin (EC), (epi) gallocatechin (E)GC and (epi)catechin-3-O-gallate ((E)CG).