Table I.
Metabolites accumulating to higher levels in wild-type seeds (Ler) than in tt4 or tt5 seeds
Alignment and comparison of Ler and tt4 (tt5) metabolite profiles revealed 79 (87) differential features (fold change ≥ 2, P ≤ 0.05), of which 57 (60) could be putatively annotated. Quant., Quantifier. EC, Epicatechin; FC, feruloylcholine; G, guaiacyl; Hex, hexose; K, kaempferol; n.d., not determined; Q, quercetin; QMe, 3′-O-methylquercetin; SC, sinapoylcholine; SyC, syringoylcholine.
| No. | Compound | Annotation Levela | Retention Time | Quant. Ion | ESI-FTICR-MSb (Fraction) | No. of Detected Differential Features
|
Experiment 1
|
Experiment 2
|
|||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Fold Change
|
−log10 (P)
|
Fold Change
|
−log10 (P)
|
||||||||||||
| Ler-tt4 | Ler-tt5 | Ler/tt4 | Ler/tt5 | Ler-tt4 | Ler-tt5 | Ler/tt4 | Ler/tt5 | Ler-tt4 | Ler-tt5 | ||||||
| min | m/z | ||||||||||||||
| T1 | Q-DeoxyHex | 2cd | 31.2 | 303.05 | III | 8 | 7 | n.d. in tt4 | 48.1 | – | 8.4 | n.d. in tt4 | 60.3 | – | 9.0 |
| T2 | Q-(DeoxyHex)2 | 2cd | 26.3 | 449.11 | III | 5 | 5 | n.d. in tt4 | 6.4 | – | 6.0 | n.d. in tt4 | 10.8 | – | 7.4 |
| T3 | Q-DeoxyHex-Hex | 2cd | 24.5 | 611.16 | III | 4 | 4 | n.d. in tt4 | 9.0 | – | 6.1 | n.d. in tt4 | 14.4 | – | 4.5 |
| T4 | Q-Hex | 2d | 28.8 | 465.10 | – | 1 | 3 | n.d. in tt4 | n.d. in tt5 | – | – | n.d. in tt4 | n.d. in tt5 | – | – |
| T5 | K-DeoxyHex | 2cd | 33.9 | 287.06 | – | 2 | 3 | n.d. in tt4 | n.d. in tt5 | – | – | n.d. in tt4 | n.d. in tt5 | – | – |
| T6 | K-(DeoxyHex)2 | 2cd | 28.2 | 579.17 | III | 6 | 5 | n.d. in tt4 | 19.7 | – | 7.5 | n.d. in tt4 | 22.6 | – | 8.6 |
| T7 | K-DeoxyHex-Hex | 2d | 34.0 | 317.07 | III | 3 | 3 | n.d. in tt4 | 7.0 | – | 4.9 | n.d. in tt4 | 11.1 | – | 9.4 |
| T9 | QMe-(DeoxyHex)2 | 2d | 28.5 | 609.18 | III | 5 | 5 | n.d. in tt4 | 3.9 | – | 7.1 | n.d. in tt4 | 5.3 | – | 11.0 |
| T10 | QMe-DeoxyHex-Hex | 2d | 26.5 | 625.18 | III | 3 | 1 | n.d. in tt4 | 2.4 | – | 4.1 | n.d. in tt4 | 3.5 | – | 6.7 |
| T11 | EC-Hex | 2d | 18.2 | 291.09 | – | 3 | 3 | n.d. in tt4 | n.d. in tt5 | – | – | n.d. in tt4 | n.d. in tt5 | – | – |
| 12 | EC | 1e | 23.2 | 291.09 | – | 2 | 3 | n.d. in tt4 | n.d. in tt5 | – | – | n.d. in tt4 | n.d. in tt5 | – | – |
| T13 | Bis(sinapoyl)spermidine | 2c | 27.1 | 558.28 | II | 3 | 2 | n.d. in tt4 | n.d. in tt5 | – | – | n.d. in tt4 | n.d. in tt5 | – | – |
| T14 | T13-Hex | 2f | 23.9 | 720.33 | II | 3 | 3 | n.d. in tt4 | n.d. in tt5 | – | – | n.d. in tt4 | n.d. in tt5 | – | – |
| 15 | 1-O-Sinapoyl Glc | 1g | 21.9 | 225.08 | – | – | 5 | 0.8 | n.d. in tt5 | 0.6 | – | 1.6 | n.d. in tt5 | 1.7 | – |
| T16 | SyC(4-O-β)G | 2f | 19.9 | 480.22 | I | 2 | – | 5.4 | 2.1 | 3.7 | 2.0 | 3.3 | 2.1 | 3.7 | 0.7 |
| 17 | FC(4-O-β)G | 1h | 22.9 | 476.23 | I | 2 | 3 | 2.6 | 4.7 | 2.2 | 5.0 | 2.5 | 5.3 | 2.2 | 3.3 |
| T18 | SC(4-O-β)G | 2f | 25.7 | 506.24 | I | 2 | 2 | 2.6 | 3.2 | 3.2 | 5.6 | 2.8 | 5.1 | 3.1 | 4.6 |
| 19 | FC(5-β)G | 1h | 29.9 | 458.22 | I | 1 | 1 | 2.4 | 2.1 | 3.6 | 4.2 | 2.2 | 2.5 | 2.6 | 6.8 |
Annotation level according to Sumner et al. (2007).
Elemental composition confirmed by direct infusion ESI-FTICR-MS after fractionation. For numbering of fractions see “Materials and Methods.”
Compound described in the literature.
Aglycone putatively annotated with a commercially available standard.
Compound identified with a commercially available standard.
Compound putatively annotated by interpretation and comparison of CID mass spectra of similar known compounds.
Compound identified with a standard isolated from plants.
Compound identified with a chemically synthesized standard.