. 2009 Aug 28;3(1):78–90. doi: 10.1093/mp/ssp071

Table 1.

Characteristics of the Anthocyanin Peaks Identified in Figure 1.

Peak	Rt (min.)	λ features (nm)	ESI–MS (m/z)	MS/MS fragments (m/z)	MS^e fragmentation (m/z)	PAP1-D (Tohge et al., 2005)
a	4.0	520	611.16	449 [Cy + Glc]⁺ 287 [Cy]⁺
b	4.5	500	611.16	449 [Cy + Glc]⁺ 287 [Cy]⁺
1	4.8	513	743.21	449 [Cy + Glc]⁺ 287 [Cy]⁺	581, 449, 287
c		503	611.16	449 [Cy + Glc]⁺¹ 287 [Cy]⁺
2	5.2	530	949.27	449 [Cy + Glc]⁺ 287 [Cy]⁺	787, 449, 287	A4
d	5.5	516	449.11	287 [Cy]⁺
3	6.2	527	1137.32	889 [Cy + 2Glc + Xyl + Cou]⁺ 535 [Cy + 2Glc + Mal]⁺ 287 [Cy]+	975	A8
4	6.4	540	1343.47	1095 [Cy + 2Glc + Xyl + Cou + Sin]⁺ 535 [Cy + 2Glc _ Mal]⁺ 287 [Cy]⁺	1095, 535	A11 (see Supp. Fig. 4)
5	7.5	520	1257.41	1095 [Cy + 2Glc + Xyl + Cou + Sin]⁺ 449 [Cy + Glc]⁺ 287 [Cy]⁺	1137, 897, 889, 535, 287	A10
6	8.2	535	1343.54	1095 [Cy + 2Glc + Xyl + Cou + Sin]⁺ 535 [Cy + 2Glc + Mal]⁺ 287 [Cy]⁺	1095, 535, 287	A11 (see Supp. Fig. 4)
7	9.0	530	1181.34	933 [C + Glc + Xyl + Sin + Cou]⁺ 535 [Cy + 2Glc + Mal]⁺ 287 [Cy]⁺	975 727, 535, 287	A9
8	10.2	520	889.25	727 [Cy + Glc + Xyl + Cou]⁺ 449 [Cy + Glc]⁺ 287 [Cy]⁺		A3
9	10.8	530	1095.31	933 [Cy + Glc + Xyl + Sin + Cou]⁺ 449 [Cy + Glc]⁺ 287 [Cy]⁺
10	11.6	525	975.24	727 [Cy + Glc + Xyl + Cou]⁺ 535 [Cy + 2Glc + Mal]⁺ 287 [Cy]⁺
11	11.9	326/ 535	1005.26	757 535 [Cy + 2Glc + Mal]⁺ 287 [Cy]⁺
12	12.2	320/ 535	1181.33	933 [Cy + Glc + Xyl + Sin + Cou]⁺ 535 [Cy + 2Glc + Mal]⁺ 287 [Cy]⁺		A9
13	12.6	326/530	1211.36		963, 535, 287

Rt, retention time; Cy, cyanidin; Glc, glucose; Xyl, xylose; Cou, p-coumaroyl moiety; Mal, malonyl moiety; Sin, sinapoly moiety. The PAP-1D column corresponds to the anthocyanin names assigned in Tohge et al. (2005).