Table 1 The number of annotated compounds, categorized by compound class and level of identification according to Sumner et al.51: identified with reference standard (level 1), putatively annotated based on publicly available MS/MS data (level 2), and putatively characterized compound class based on physicochemical characteristics (level 3). The sample type with the highest cumulative abundance is listed for each class. *Other compound classes include alcohols (n = 1), alkaloids (n = 2), betaines (n = 2), diterpenoids (n = 2), esters (n = 1), sphingolipids (n = 1), and triterpenoids (n = 1).
From: Side-stream products of malting: a neglected source of phytochemicals
Compound class | Level 1 | Level 2 | Level 3 | Total | Highest abundance |
|---|---|---|---|---|---|
Alkylresorcinols | 1 | 16 | 5 | 22 | Rye, whole grain |
Avenanthramides | — | 28 | 1 | 29 | Oats, malted grain |
Benzoxazinoids | — | 36 | — | 36 | Rye & wheat, rootlet |
Coumarins | — | 4 | — | 4 | Oats, rootlet |
Dicarboxylic acids | 3 | 3 | 1 | 7 | Wheat, rootlet |
Flavonoids | 1 | 41 | 7 | 49 | Wheat, rootlet |
Lignans | — | 9 | 1 | 10 | Wheat, rootlet |
Phenolamides | — | 40 | — | 40 | Barley, rootlet |
Phenolic acids | 9 | 22 | 2 | 33 | Oats, rye & wheat, rootlet |
Phenolic aldehydes | 2 | 4 | — | 6 | Oats, rootlet |
Phytosterols | — | 7 | 1 | 8 | Rye, whole grain |
Saponins | — | 10 | 16 | 26 | Oats, rootlet |
Tocols | — | 5 | — | 5 | Rye & barley, malted grain |
Others* | — | 9 | 1 | 10 | Barley, rootlet |
Total | 16 | 234 | 35 | 285 |
