TABLE 1.
Peak | M+ | (M‐H)‐ | Compound | µg/mL | µg/g DW |
---|---|---|---|---|---|
Anthocyanins | |||||
1 | 611 | Cyanidin 3‐O‐sophoroside | 883 | 937 | |
2 | 449 | Cyanidin 3‐O‐glucoside | 571 | 606 | |
3 | 481 | Cyanidin 3‐O‐sambubioside | 24 | 25 | |
4 | 757 | Cyanidin 3‐O‐(2‐glucosylrutinoside) | 411 | 436 | |
5 | 595 | Cyanidin 3‐O‐rutinoside | 62 | 66 | |
6 | 727 | Cyanidin 3‐O‐xylosylrutinoside | 18 | 20 | |
Phenolic acids | |||||
7 | 169 | Gallic acid | 140 | 149 | |
8 | 153 | Protocatechuic acid | 35 | 37 | |
10 | 353 | Chlorogenic acid | 69 | 73 | |
11 | 179 | Caffeic acid | 7 | 7 | |
15 | 337 | 4‐p‐Coumaroylquinic acid | 26 | 28 | |
17 | 337 | 5‐p‐Coumaroylquinic acid | 3 | 3 | |
Flavan−3‐ols and procyanidins | |||||
9 | 335 a | Catechin | 3 | 3 | |
12 | 577 | Procyanidin B2 | 6 | 6 | |
13 | 335 a | Epicatechin | 21 | 22 | |
25 | 579 | Unknown procyanidin isomer | 3 | 3 | |
Hydrolyzable tannins | |||||
14 | 1567 | Sanguiin H10 isomer 1 | 9 | 10 | |
16 | 469 | Sanguisorbic acid dilactone | 120 | 127 | |
19 | 2036.5 | Galloyl‐SH6 | 66 | 70 | |
20 | 1567 | Sanguiin H10 isomer 2 | 61 | 65 | |
21 | 2501 | Lambertian C (minus ellagic acid) | 11 | 12 | |
22 | 2803 | Lambertian C | 17 | 18 | |
24 | 1869 | Sanguiin H6 | 213 | 226 | |
26 | 301 | Ellagic acid | 449 | 477 | |
Flavonols | |||||
27 | 609 | Quercetin 3‐O‐rutinoside | 6 | 6 | |
28 | 463 | Quercetin 3‐O‐galactoside | 17 | 18 | |
29 | 477 | Quercetin 3‐O‐glucuronide | 36 | 38 | |
30 | 463 | Quercetin 3‐O‐glucoside | 13 | 14 | |
31 | 433 | Quercetin 3‐O‐pentoside 1 | 9 | 10 | |
32 | 433 | Quercetin 3‐O‐pentoside 3 | 6 | 6 | |
33 | 433 | Quercetin 3‐O‐pentoside 2 | 13 | 14 | |
35 | 447 | Quercetin 3‐O‐rhamnoside | 15 | 16 | |
37 | 301 | Quercetin | 19 | 20 | |
Chalcones | |||||
34 | 567 | Phloretin 2‐O‐xylo‐glucoside | 9 | 10 | |
36 | 481 a | Phloretin 2‐O‐glucoside | 62 | 66 | |
Unknowns | |||||
18 | 563 a | unknown | 71 | 75 | |
23 | 639 | unknown | 22 | 23 | |
Total | 1557 | 1653 |
M+ and (M‐H)‐ ions are the pseudomolecular ions used for identification of compounds by liquid chromatography‐mass spectrometry (LC‐MS). All identifications confirmed by MS/MSn experiments. Peak numbers refer to chromatograms shown in supplementary data.
Detected as [M + formate]‐ adduct.