Characterization of the Phytochemical Constituents of Taif Rose and Its Antioxidant and Anticancer Activities

Table 4

Peak assignment, molecular weight (MW), molecular ion (M⁻), mass ion fragments, and tentative identification of compounds detected in 80% methanol extract, 𝑛-butanol, and aqueous fractions of fresh and dry Taif rose by LC-ESI(−ve)-MS.

Peak number	MW	𝑚/𝑧		Tentative identification
		M^−	Fragments
1	192	191	127, 93, 85	Quinic acid
2	170	169	125, 79	Gallic acid
3	484	483	331, 313, 169, 125	Digalloyl hexose
4	184	183	169, 147, 124, 78	Methyl gallic acid derivative
5	786	785	633, 615, 483, 301, 169, 125	Digalloyl DHHP hexose
6	466	465	313, 301, 169, 147, 125	Digalloyl deoxyhexose
7	786	785	633, 615, 483, 331, 313, 301, 169, 125	Digalloyl DHHP hexose
8	968	967	785, 765, 667, 505, 301, 183, 169	Unknown ellagitannin
9	968	967	785, 765, 633, 615, 483, 451, 301, 182, 169, 125	Unknown ellagitannin
10	938	937	783, 657, 465, 301, 169, 125	Unknown ellagitannin
11	968	967	785, 765, 639, 450, 314, 301, 169, 147, 124	Unknown ellagitannin
12	616	615	463, 313, 301, 169	Quercetin-3-glucose-(1→6)-gallic acid^a
13	938	937	785, 766, 615, 313, 301, 183, 169, 125	Unknown ellagitannin
14a	610	609	463, 301	Rutin^a
14b	464	463	301, 229, 179, 150	Quercetin 3-O-β-D-glucoside^a
15	600	599	463, 300, 179, 169, 151	Quercetin-hexose-protocatechuic acid
16	434	433	301, 151, 179	Quercetin-O-pentose
17	600	609	447, 435, 284, 169, 151	Kaempferol-hexose-gallic acid
18	610/594	609/593	435, 433, 301, 285, 169, 151	Quercetin/Kaempferol derivatives
19	448	447	284, 179, 151	Kaempferol 3-O-β-D-glucoside^a
20	600	599	447, 285, 197, 169, 151	Kaempferol-O-hexose-O-gallic acid
21	418	417	284, 197, 227	Kaempferol-O-pentose
22	594	593	417, 285, 197, 151, 147	Kaempferol-O-pentose-O-glucuronic acid
23	432	431	284, 255, 227	Kaempferol 3-O-α-rhamnoside^a
24	652	651	609, 447, 301, 147	Quercetin acetyldisaccharides
25	610	609	463, 447, 301, 147	Quercetin-O-hexose-O-deoxyhexose
26	636	635	487, 285	Kaempferol acetyldisaccharides
27	594	593	447, 430, 285, 151	Kaempferol-O-hexose-O-deoxyhexose
28	605	604	582, 462, 342	Unknown non-phenolic compound
Standard compounds
S1	290	289	244, 221, 150, 136, 123	Catechin
S2	304	303	284, 274, 217, 179, 151	Taxifolin
S3	616	615	463, 313, 301, 271, 169, 151, 147	Quercetin-3-glucose-6-gallic acid
S4	610	609	463, 301, 179, 151, 147	Rutin
S5	464	463	300, 271, 254, 179, 151	Quercetin 3-O-β-D-glucoside
S6	448	447	300, 270, 179, 151	Quercetin 3-O-α-rhamnoside
S7	448	447	284, 179, 151	Kaempferol 3-O-β-D-glucoside
S8	432	431	248, 254, 227, 198, 147	Kaempferol 3-O-α-rhamnoside
S9	302	301	179, 151	Quercetin
S10	270	269	225, 199, 159, 151, 117	Apigenin

aCompounds identified by comparison with standards.