Table III.

Metabolites accumulating to higher levels in tt5 seeds than in wild-type seeds

Alignment and comparison of Ler and tt5 metabolite profiles revealed 78 differential features (fold change ≥ 2, P ≤ 0.05), of which 42 could be putatively annotated. Quant., Quantifier. Hex, Hexose; NC, naringenin chalcone; 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
39	Choline	1c	5.8	104.11	–	2	2.4	4.4	5.3	4.8
20	4-Hydroxybenzoylcholine	1d	10.5	165.06	–	2	2.3	1.9	7.8	5.2
T40	SC dimer isomer 3	3	19.3	310.17	–	1	n.d. in Ler	–	n.d. in Ler	–
41	Feruloylcholine	1d	20.8	221.08	–	4	3.9	1.9	3.5	2.8
T42	Dihydro NC-(Hex)2	2e	28.6	275.10	III	6	n.d. in Ler	–	n.d. in Ler	–
T43	Dihydro NC-Hex isomer 1	2e	33.8	275.10	III	5	n.d. in Ler	–	n.d. in Ler	–
T44	Dihydro NC-Hex isomer 2	2e	35.7	275.10	III	7	n.d. in Ler	–	n.d. in Ler	–
T45	NC-(Hex)2	2e	28.7	273.08	III	4	n.d. in Ler	–	n.d. in Ler	–
T46	NC-Hex isomer 1	2e	32.1	273.08	III	3	n.d. in Ler	–	n.d. in Ler	–
T47	NC-Hex isomer 2	2e	35.2	273.08	III	3	n.d. in Ler	–	n.d. in Ler	–
T48	(NC-OH)-Hex	2f	32.0	289.08	–	2	n.d. in Ler	–	n.d. in Ler	–
T49	(NC-OMe)-Hex isomer 1	2f	32.0	465.14	III	0	n.d. in Ler	–	n.d. in Ler	–
T50	(NC-OMe)-Hex isomer 2	2f	32.9	465.14	III	2	n.d. in Ler	–	n.d. in Ler	–
T34	9-(Methylsulfinyl)nonanenitrile	2g	33.0	202.12	III	1	4.6	3.7	5.8	5.0

^aAnnotation level according to Sumner et al. (2007).

^bElemental composition confirmed by direct infusion ESI-FTICR-MS after fractionation. For numbering of fractions, see “Materials and Methods.”

^cCompound identified with a commercially available standard.

^dCompound identified with a chemically synthesized standard.

^eAglycone putatively annotated with a commercially available standard.

^fCompound putatively annotated by interpretation and comparison of CID mass spectra of similar known compounds.

^gCompound described in the literature.