Table 3 List of annotated signature metabolites of five tea groups.

From: Metabolite signatures of diverse Camellia sinensis tea populations

Signature group

Metabolites detected

Tentative metabolite identification

Metabolite class

Mean abundance in group 1

Mean abundance in group 2

Mean abundance in group 3

Mean abundance in group 4

Mean abundance in group 5

Group 1

1.93_481.0621 m/z

HHDP-glucose

Ellagitannins

667.5

18.8

107.9

28.5

51.4

Group 1

2.06_167.0549 m/z

Ribonic acid

Sugar acids and derivatives

1131.7

30.8

71.5

23.2

44.7

Group 1

2.89_344.0743n

Theogallin

Phenolic acids

31,146.8

14,975.9

12,871.7

8404.9

12,089.9

Group 1

3.83_306.0740n

Gallocatechin

Flavanols

16,166.9

7079.3

6195.0

5533.4

6741.1

Group 1

4.80_593.1297 m/z

EC-GC dimer isomer 4

Proanthocyanidins

1176.5

491.2

377.7

360.7

454.4

Group 1

4.93_593.1293 m/z

EC-GC dimer isomer 5

Proanthocyanidins

1600.1

566.2

396.9

323.0

412.8

Group 1

5.11_577.1348 m/z

Procyanidin B3

Proanthocyanidins

1201.0

307.4

235.4

351.5

341.6

Group 1

5.34_290.0791n

Catechin

Flavanols

24,258.8

4032.7

3625.6

3542.0

3670.3

Group 1

5.36_183.0298 m/z

Methylgallate

Phenolic acids

4633.4

1208.2

1888.1

1306.2

1000.6

Group 1

5.51_354.0948n

Chlorogenic acid

Phenolic acids

6272.5

803.9

265.5

265.9

134.6

Group 1

5.83_747.1552 m/za

EC-EGCG dimer

Proanthocyanidins

3602.3

907.5

512.1

517.6

588.6

Group 1

6.25_290.0794n

Epicatechin

Flavanols

116,557.4

48,408.2

57,998.7

57,396.7

52,306.4

Group 1

6.57_551.1402 m/z

Gentioside

Xanthone glycosides

735.6

137.8

248.7

171.1

242.1

Group 1

6.63_318.0476n

Trigalloylglucose isomer 2

Hydrolysable tannins

9744.1

3327.0

3954.0

1512.2

1156.8

Group 1

7.69_609.1438 m/z

Rutin

Flavonol glycosides

11,904.4

1726.1

2665.6

1859.8

1404.2

Group 1

6.78_729.1455 m/z

Galloylprocyanidin dimer isomer 1

Proanthocyanidins

8493.2

1435.0

1174.9

1070.7

1255.0

Group 1

7.85_442.0901n

Epicatechin 3-O-gallate

Flavanols

334,280.4

151,298.2

137,580.1

121,634.2

137,860.9

Group 1

7.88_303.0485 m/za

Tricetin

Flavones

4889.7

818.6

1984.6

2437.5

1774.5

Group 1

8.00_464.0948n

Quercetin 3-O-glucoside

Flavonol glycosides

7216.1

1158.4

2866.5

1918.1

1710.0

Group 1

8.26_739.2086 m/z

Kaempferol 3-neohesperidoside-7-rhamnoside

Flavonol glycosides

1035.9

1.2

356.9

20.5

0.4

Group 1

8.42_594.1530na

Kaempferol 3-O-rutinoside

Flavonol glycosides

3885.6

1526.3

874.5

431.7

497.0

Group 1

9.37_441.0818n

Digalloylprocyanidin dimer

Proanthocyanidins

504.5

116.2

117.1

85.6

93.7

Group 1

10.24_451.1235n

Sarmenoside II

Flavonol glycosides

1481.6

0.0

22.2

0.5

98.1

Group 1

10.55_443.1260n

Kaempferol 3-(4″-(E)-p-coumaroylrobinobioside)-7-rhamnoside isomer 1

Flavonol glycosides

612.2

5.4

6.0

0.4

93.6

Group 1

11.20_448.2300n

Linalool primeveroside isomer 1

Terpenoid glycosides

1807.1

549.0

765.8

559.3

691.2

Group 2

5.01_242.0423n

Digalloylglucose isomer 1

Hydrolysable tannins

2155.5

9033.6

718.2

368.6

218.5

Group 2

10.48_517.1448n

Camellikaempferoside C isomer 1

Flavonol glycosides

113.8

4182.1

449.6

327.3

1193.9

Group 2

10.74_517.1448n

Camellikaempferoside C isomer 2

Flavonol glycosides

5.7

1459.3

116.9

90.2

358.9

Group 2

10.90_436.1180n

Camellikaempferoside A isomer 1

Flavonol glycosides

113.9

1616.3

59.5

45.3

54.1

Group 2

11.13_871.2298 m/z

Camellikaempferoside A isomer 2

Flavonol glycosides

23.0

518.4

7.8

5.0

8.3

Group 2

11.33_1189.5616 m/z

Theasaponin A1

Triterpenoid saponins

10.9

623.5

73.6

52.3

193.7

Group 2

16.41_1189.5400 m/z

C60H86O24

Unknown

14.9

677.3

72.4

21.0

237.3

Group 2

16.80_1131.5352 m/z

Tragopogonsaponin E

Triterpenoid saponins

122.9

1685.5

375.2

34.5

350.9

Group 2

16.89_731.4146 m/za

C44H58O9

Unknown

74.1

1173.1

431.9

347.6

461.7

Group 4

16.36_1157.5720 m/z

Eupteleasaponin IV isomer 2

Triterpenoid saponins

0.0

1.6

52.9

940.7

19.7

Group 5

7.42_472.1004n

EGCG3″Me

Flavanols

577.4

436.9

199.8

3086.1

8095.4

Group 5

8.89_456.1053n

ECG3″Me

Flavanols

227.9

187.4

46.2

784.1

1666.9

Group 5

13.40_451.1377 m/za

C25H22O8

Unknown

65.0

158.5

307.6

376.0

821.8

Group 5

13.40_467.1343 m/z

C25H24O9

Unknown

7.2

144.3

360.7

464.8

1051.2

Group 5

16.41_1125.5460 m/z

Xanifolia-Y3 isomer 1

Triterpenoid saponins

13.3

127.7

152.8

7.4

617.5

  1. aDetected in ESI+. Other metabolites were detected in ESI−.