Table II.
Metabolites accumulating to higher levels in tt4 seeds than in wild-type (Ler) seeds
Alignment and comparison of Ler and tt4 metabolite profiles revealed 145 differential features (fold change ≥ 2, P ≤ 0.05), of which 59 could be putatively annotated. Quant., Quantifier. PCE, Phenolic choline ester; SC, sinapoylcholine.
| 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) | |||||||
| min | m/z | |||||||||
| 20 | 4-Hydroxybenzoylcholine | 1c | 10.1 | 165.05 | – | 4 | 3.9 | 2.2 | 6.5 | 3.4 |
| T21 | 4-Hexosyloxybenzoylcholine | 2d | 7.0 | 386.18 | I | 6 | 16.4 | 2.6 | 29.0 | 2.9 |
| T22 | 4-Hexosyloxycinnamoylcholine isomer 1 | 2d | 8.1 | 412.20 | I | 2 | n.d. in Ler | – | n.d. in Ler | – |
| T23 | 4-Hexosyloxycinnamoylcholine isomer 2 | 2d | 9.5 | 412.20 | I | 0 | n.d. in Ler | – | n.d. in Ler | – |
| T24 | 3-(4-Hexosyloxyphenyl)propanoylcholine | 2d | 9.0 | 414.21 | I | 1 | n.d. in Ler | – | n.d. in Ler | – |
| T25 | Unknown PCE 1 | 3 | 18.1 | 504.18 | – | 2 | 13.7 | 1.9 | 28.2 | 2.2 |
| T26 | Unknown PCE 2 | 3 | 19.7 | 534.23 | I | 1 | n.d. in Ler | – | n.d. in Ler | – |
| T27 | Unknown PCE 3 | 3 | 24.3 | 370.19 | I | 2 | 44.6 | 4.6 | 43.0 | 3.1 |
| T28 | Unknown PCE 4 | 3 | 26.8 | 548.25 | I | 1 | n.d. in Ler | – | n.d. in Ler | – |
| T29 | Unknown PCE 5 | 3 | 37.8 | 516.22 | I | 2 | 5.6 | 4.2 | 7.1 | 5.4 |
| T30 | SC dimer isomer 1 | 3 | 10.5 | 310.17 | – | 3 | 22.8 | 3.0 | 51.3 | 3.4 |
| T31 | SC dimer isomer 2 | 3 | 27.5 | 310.17 | – | 9 | 21.1 | 5.7 | 34.9 | 4.8 |
| T32 | SC dehydro dimer isomer 1 | 3 | 21.0 | 279.62 | – | 4 | 9.8 | 4.1 | 24.5 | 3.3 |
| T33 | SC dehydro dimer isomer 2 | 3 | 25.9 | 309.16 | – | 7 | 15.5 | 5.1 | 33.4 | 4.5 |
| T34 | 9-(Methylsulfinyl)nonanenitrile | 2e | 32.5 | 202.13 | III | 5 | 7.5 | 8.9 | 7.7 | 4.7 |
| T35 | 8-(Methylsulfinyl)octanenitrile | 2f | 26.2 | 188.11 | – | 1 | 6.3 | 4.6 | 6.1 | 3.4 |
| T36 | 9-(Methylsulfinyl)nonanoic acid | 1c | 29.5 | 203.11 | – | 5 | 11.8 | 5.9 | 9.0 | 5.5 |
| T37 | 8-(Methylsulfinyl)octane-1-amine | 1c | 8.9 | 192.14 | – | 1 | 2.3 | 1.5 | 10.1 | 3.3 |
| 38 | Indole-3-carbaldehyde | 1g | 31.1 | 146.06 | – | 2 | 7.6 | 5.5 | 4.7 | 4.5 |
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 identified with a chemically synthesized standard.
Aglycone putatively annotated with a chemically synthesized standard.
Compound described in the literature.
Compound putatively annotated by interpretation and comparison of CID mass spectra of similar known compounds.
Compound identified with a commercially available standard.