Combined analysis of transcriptome and metabolite data reveals extensive differences between black and brown nearly-isogenic soybean (Glycine max) seed coats enabling the identification of pigment isogenes

Table 2 HPLC-MS/MS analysis of seed coat extracts of black (iRT) and brown (irT) soybean

Compound	Identity	[M⁺] (m/z)	Major fragment(s)	Rt (min)	Genotype^a
1	Unknown 1	413	183, 115	1.4	B
2	Unknown 2	381	184, 125	1.6	irT
3	Unknown 3	183	-	1.7	iRT
4	Unknown 4	162	-	1.9	B
5	Unknown 5	409	303	1.9	B
6	Unknown 6	437	273	2.3	B
7	Unknown 7	416	-	2.3	B
8	Unknown 8	580	182, 265, 437	2.5	B
9	Unknown 9	507	485, 323, 132	2.9	B
10	Orcinol O-hexoside	305	287	4.0	irT
11	Unknown 10	331	248	4.2	irT
12	Procyanidin trimer 1	867	579, 309, 299	4.7	iRT
13	Procyanidin B2*	579	291	5.5	B
14	Unknown 11	607	409, 455	6.0	B
15	Procyanidin trimer 2	867	577, 407	6.4	B
16	Delphinidin-3-O-glucoside*	465	303	6.6	iRT
17	Procyanidin trimer 3	867	579	6.6	iRT
18	Epicatechin*	291	-	6.9	B
19	Cyanidin-3-O-galactoside*	449	287	7.1	iRT
20	Daidzein O-hexoside malonylated	503	417	7.4	irT
21	Unknown 12	481	319	7.4	irT
22	Cyanidin-3-O-glucoside*	449	287	7.5	iRT
23	Petunidin-3-O-glucoside*	479	319, 303	8.0	iRT
24	Unknown 13	341	278, 111	8.1	irT
25	Pelargonidin-3-O-glucoside*	433	-	8.3	iRT
26	Peonidin-3-O-glucoside*	463	301, 286	8.7	iRT
27	Procyanidin dimer 2	579	409, 291	9.2	B
28	Unknown flavonol 1	331	-	9.0	irT
29	Procyanidin trimer 4	867	579, 699	9.2	iRT
30	A-type procyanidin dimer	593	-	9.7	iRT
31	Unknown anthocyanin 1	317	-	9.6	iRT
32	Unknown flavonol 2	615	-	9.6	irT
33	Cyanidin*	287	-	10.0	iRT
34	Unknown 14	487	-	10.8	B
35	Diosmetinidin*	285	-	10.3	iRT
36	Unknown benzoic acid 1	633	331, 315	11.0	irT
37	Quercetin-3-O-glucoside*	465	303	11.0	B^b

*Based on co-chromatographic and MS fragamentation comparison to an authentic standard.
^aBlack soybean (iRT), brown soybean (irT), both (B).
^bTrace amounts in iRT.

ISSN: 1471-2164