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Level 1 and 2 identified compounds from list of features with VIP>1 across all four PLS models
| Compound Name | Molecular Formula | Retention time (min) | [M-H]− | Δppm | Heat map cluster |
|---|---|---|---|---|---|
| Epicatechin1 | C15H14O6 | 3.6 | 289.0718 | 0 | B |
| Catechin1 | C15H14O6 | 3.3 | 289.0718 | 0 | B |
| B-type procyanidin dimer A2 | C30H26O12 | 3.6 | 577.1344 | 1 | B |
| B-type procyanidin dimer B2 | C30H26O12 | 3.4 | 577.1398 | 8 | B |
| Protocatechuic acid1 | C7H6O4 | 2.9 | 153.0196 | 2 | C |
Level 1 identified features,
Level 2 identified features
