Table 1 Anthocyanins identified across the three purple sweet potato varieties. YGM stands for 'Yamagawamurasaki', the cultivar from which the previous sweet potato anthocyanins were elucidated via NMR. Retention time is abbreviated to RT. RT value was obtained as the average RT of the specific peak across all purple-fleshed varieties. Average mass error of the Orbitrap Q-Exactive instrument for MS1 anthocyanin masses was ~ 0.002 Da.

From: Untargeted metabolomics of purple and orange-fleshed sweet potatoes reveals a large structural diversity of anthocyanins and flavonoids

Peak no.

Tentative identification

Acylation class

RT (min)

Observed m/z

Supporting literature

NMR literature

[M]+

Aglycone fragment ion

Qualifying fragment ions

1

Cyanidin-3-sophoroside-5-glucoside

YGM 0A

Non

1.11

773.21

287.05

449.11, 611.16

38

37

2

Peonidin 3-sophoroside-5-glucoside

YGM 0B

Non

1.37

787.23

301.07

463.12, 625.17

38

 

3

Cyanidin-3-p-hydroxybenzoyl sophoroside-5-glucoside

 

Mono

1.60

893.23

287.05

449.11, 731.18

38

 

4

Cyanidin-3- caffeoyl sophoroside-5-glucoside

YGM 2

Mono

1.65

935.25

287.05

449.11, 773.19

38

36

5

Peonidin 3-p-hydroxybenzoyl sophoroside-5-glucoside

 

Mono

1.96

907.25

301.07

463.12, 745.20

38

 

6

Peonidin 3-caffeoyl sophoroside-5-glucoside

YGM 5B

Mono

2.02

949.25

301.07

463.12, 787.21

 

36

7

Cyanidin-3-feruloyl sophoroside-5-glucoside

 

Mono

2.24

949.25

287.05

449.11, 787.21

38

 

8

Peonidin-3-feruloyl sophoroside-5-glucoside

 

Mono

2.99

963.27

301.07

463.12, 801.22

38

 

9

Cyanidin 3-caffeoyl sophoroside-5-glucoside

YGM 2

Mono

3.30

935.25

287.05

449.11, 773.19

38

36

10.1

Cyanidin 3-caffeoyl-p-hydroxybenzoyl sophoroside-5-glucoside

YGM 1A

Di

3.52

1055.27

287.06

449.11, 893.21

38

37

10.2

Cyanidin 3-dicaffeoyl sophoroside-5-glucoside

YGM 1B

Di

3.55

1097.28

287.06

449.10, 935.23

  

11

Peonidin 3-caffeoyl sophoroside-5-glucoside

YGM 5B

Mono

4.45

949.25

301.07

463.12, 787.21

38

36

12.1

Peonidin 3-caffeoyl sophoroside-5-glucoside

YGM 5B

Mono

4.62

949.25

301.07

463.12, 787.21

38

36

12.2

Cyanidin-3-caffeoyl-feruloyl sophoroside-5-glucoside

YGM 3

Di

4.62

1111.29

287.05

449.11, 949.24

38

37

13

Peonidin 3-dicaffeoyl sophoroside-5-glucoside

YGM 4B

Di

5.01

1111.29

301.07

463.12, 949.24

38

37

14

Peonidin 3-caffeoyl-p-hydroxybenzoyl sophoroside-5-glucoside

YGM 5A

Di

5.15

1069.28

301.07

463.12, 907.23

38

37

15

Peonidin-3-caffeoyl-feruloyl sophoroside-5-glucoside

YGM 6

Di

6.62

1125.31

301.07

463.12, 963.25

38

37

16

Peonidin-3-caffeoyl-feruloyl sophoroside-5-glucoside OR

Cyanidin 3-diferuloyl sophoroside-5-glucoside

YGM 6

Di

7.09

1125.31

287.05, 301.07

449.11, 963.25

38

37

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