Chemical Compositions and Antioxidant Activities of Thirty-Seven Typical Pomegranates Grown in China

Table 1

Identification of chemical components from pomegranate juice (QC sample).

No.	RT (min)	Exptl. mass (m/z)	Calc. mass (m/z)	Difference (ppm)	Adducts	Chemical formula	Tentative identification	Fragments
1	2.29	331.0659	331.0665	-1.8	M-H	C13H16O10	Monogalloyl hexoside	125, 169, 271
2	2.55	399.1505	399.1503	0.5	M-H	C15H28O12	(2-Hydroxy-propyl) sucrose	353
3	2.60	649.0684	649.0677	1.1	M-H	C27H22O19	Galloyl-HHDP-glucoside (lagerstannin C)	301
4	2.74	627.1569	627.1561	1.3	M-H	C27H32O17	Albizinin
5	2.82	541.0251	541.0254	-0.6	M-2H	C48H28O30	Punicalagin	275, 301, 532, 601, 781
6	2.91	783.0695	783.0681	1.8	M-H	C34H24O22	Bis-HHDP-hexoside (pedunculagin I)	229, 275, 391, 483, 632
7	2.93	329.0879	329.0873	1.8	M-H	C14H18O9	1-O-Vanilloyl-beta-D-glucose	167
8	2.94	341.0874	341.0873	0.3	M-H	C15H18O9	1-Caffeoyl-beta-D-glucose	161,179
9	2.96	541.0251	541.0254	-0.6	M-2H	C48H28O30	Punicalagin isomers	275, 301, 532, 601, 781
10	3.00	449.1060	449.1084	-5.3	M+	C21H21O11	Cyanidin 3-O-beta-D-glucoside	287
11	3.10	525.1613	525.1608	1.1	M-H	C24H30O13	Mudanpioside E	363
12	3.13	525.1613	525.1608	1.1	M-H	C24H30O13	Mudanpioside E isomers	363
13	3.17	785.0853	785.0837	2.0	M-H	C34H26O22	Digalloyl-HHDP-gluc (pedunculagin II)	301, 483, 633, 765
14	3.27	463.0522	463.0513	1.9	M-H	C20H16O13	Ellagic acid hexoside	301
15	3.30	355.1043	355.1029	3.9	M-H	C16H20O9	1-O-Feruloyl-beta-D-glucose	135, 175, 193, 217, 236
16	3.36	305.0673	305.0661	3.9	M-H	C15H14O7	Gallocatechin
17	3.48	507.1486	507.1503	-3.4	M-H	C24H28O12	Syringetin hexoside	295, 312, 315, 327, 343, 345, 441, 471
18	3.53	415.1619	415.1604	3.6	M-H	C19H28O10	Benzyl alcohol beta-D-rutinoside
19	3.58	475.1803	475.1816	-2.9	M-H	C21H32O12	Kanokoside A	429
20	3.94	425.0523	425.0509	3.3	M-H	C21H14O10	Ellagic derivative	301