AtMetExpress Development LC-MS

Perk Nr:adp022792. Quercetin-3-Rha-7-Glu

Polarity:	[POSITIVE]
Retention time:	3.61
m/z:	611
Annotation:	Quercetin-3-Rha-7-Glu
Annotation level:	Characterized
compound:	Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
MS2Ts	45 MS2Ts
KNApSAcK	C27H31O16(32):Isoscutellarein 7-allosyl-(1->2)-glucoside, Luteol C34H27O11(31):C34H26O10+O; C33H24O10+CH3O; C30H27O14(7):Prodelphinidin B4;Gallocatechin-(4alpha->8)-epigal C31H31O13(6):4'-O-Methylcarthamidin 7-(2-p-coumaroylglucoside);
in-house MS/MS	Quercetin-3-(6-malonyl)-Glucoside_Ramp5-45 V(34) Delphinidin-3-O-beta-glucopyranoside_Ramp5-45 V(33) Quercetin-3-O-b-glucopyranosyl-7-O-a-rhamnopyranoside_Ramp5-45 V(33) quercetin 3-O-a-rhamnopyranoside(33) Spiraeoside_Ramp5-45 V(33) Hyperoside_Ramp5-45 V(32) delphinidin 3-malonylglucoside(32) delphinidin 3-arabinoside(32) delphinidin 3-galactoside(32) Quercetin-3,4'-O-di-beta-glucopyranoside_Ramp5-45 V(32) delphinidin 3-glucoside(32) Peltatoside_Ramp5-45 V(32) Quercetin-3-O-beta-D-galactoside_CE20(32) delphinidin 3-(6''-coumaroyl)glucoside(32) Quercetin-7-O-rhamnoside_Ramp5-45 V(32) (NC-OMe)-Hex ? isomer #1(32) quercetin-3-O-beta-glucopyranoside_Ramp5-45 V(32) delphinidin 3-(6''-acetyl)glucoside(32) Quercetin-3-O-alpha-L-rhamnopyranoside_CE20(32) Quercetin-3-Glucuronide_Ramp5-45 V(32) Quercetin-3-O-beta-D-galactoside_Ramp5-45 V(32) Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE40(31) Quercetin-3,4'-O-di-beta-glucopyranoside_CE50(31) delphinidin 3-O-Glucoside(31) quercetin-3-O-beta-glucopyranoside_CE20(31) Quercetin-3-Arabinoside_CE20(31) Quercitrin_Ramp5-45 V(31) Delphinidin 3-Galactoside(31) Quercetin-3,7-O-alpha-L-dirhamnopyranoside_Ramp5-45 V(31) Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_Ramp5-45 V(31) Quercetin-3-D-xyloside_CE20(31) PIPES_CE20(31) Quercetin-3-Rhamnoside_Ramp5-45 V(31) Quercetin_CE20(31) Quercetin-3-O-glucose-6''-acetate_Ramp5-45 V(31) Quercetin-3-Arabinoside_Ramp5-45 V(31) Delphinidin 3-Glucoside(31) delphinidin 3-glucoside(31) Delphinidin-3-O-beta-glucopyranoside_CE50(31) Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside_CE50(31) Quercetin-3-O-beta-D-galactoside_CE30(31) Quercetin_CE10(31) Hesperetin_CE20(31) Quercetin-3-O-glucose-6''-acetate_CE20(31) Hesperetin_CE10(31) Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside_CE40(31) delphinidin 3-O-Glucoside(31) Hyperoside_CE40(31) Quercetin-3-O-alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside_Ramp5-45 V(31) delphinidin 3-glucoside(31) Quercetin-3-D-xyloside_Ramp5-45 V(31) Quercetin-3-Glucuronide_CE30(31) Delphinidin 3-Glucoside(31) Hyperoside_CE20(31) quercetin 3-glucoside(31) delphinidin 3-O-Glucoside(31) quercetin-3-O-beta-glucopyranoside_CE40(31) PIPES_CE10(31) Quercetin_Ramp5-45 V(31) Delphinidin-3-O-(6''-O-alpha-rhamnopyranosyl-beta-glucopyranoside)_Ramp5-45 V(31) Spiraeoside_CE30(30) Rutin _CE40(29) Peltatoside_CE40(29) Rutin _CE50(29) Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside_CE30(29) Delphinidin-3-O-(6''-O-alpha-rhamnopyranosyl-beta-glucopyranoside)_CE40(28) Delphinidin-3-O-beta-glucopyranoside_CE60(28) Spiraeoside_CE60(28) Delphinidin-3-O-beta-glucopyranoside_CE40(28) Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside_CE50(28) Quercetin-3,7-O-alpha-L-dirhamnopyranoside_CE40(28) Quercetin-3-D-xyloside_CE30(28) Quercetin-3-O-glucose-6''-acetate_CE50(27) Quercetin-3-O-alpha-L-rhamnopyranoside_Ramp5-45 V(27) Quercetin-3-Arabinoside_CE40(27) Delphinidin-3-O-beta-glucopyranoside_CE30(27) Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE30(27) Hesperidin_Ramp5-45 V(26) Quercetin-3-O-glucose-6''-acetate_CE30(26) Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside_CE60(26) Quercetin-3,4'-O-di-beta-glucopyranoside_CE60(26) Quercetin-3-O-beta-D-galactoside_CE40(26) Quercetin-3-D-xyloside_CE40(26) Quercitrin_CE20(25) PIPES_CE30(25) Quercetin-3-Glucuronide_CE40(24) delphinidin 3-O-(6-O-p-coumaroyl)glucoside(24) delphinidin 3-glucoside p-coumaric(24) Peltatoside_CE50(23) Ellagic Acid(23) dihexosyl quercetin (23) Quercetin-3-Arabinoside_CE30(23) delphinidin 3-xyloside-glucoside(23) Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE60(21) Spiraeoside_CE40(21) Quercetin-3-Rhamnoside_CE10(19) Peltatoside_CE60(19) Q-Hex (T4). (18) quercetin-3-O-beta-glucopyranoside_CE50(17) Rutin _CE20(17) Quercetin-3-O-glucose-6''-acetate_CE40(17) Ellagic acid hexose(16) Quercetin-3-Rhamnoside_CE20(16) Delphinidin-3-O-beta-glucopyranoside_CE20(15) delphinidin 3-glucoside(13) delphinidin 3,5-diglucoside(13) (NC-OMe)-Hex ? isomer #2(13) delphinidin 3-glucoside(13) delphinidin 3-rutinoside(13) delphinidin 3-galactoside(13) delphinidin 3-glucoside(13) delphinidin 3-glucoside(13) herbacetin-7-O-rha(9) quercetin-3'/4'-rha(9) delphinidin 3-glucoside-5-rhamnoside(9) quercetin 3-rutinoside(9) quercetin 3-neo hesperidoside(9) rhamnosyl hexosyl quercetin (9) Delphinidin 3-Rutinoside(9) Quercitrin_CE10(9) Quercetin-3-Rhamnoside_CE30(9) Delphinidin 3,5-Diglucoside(8) similar to peak 7(8) Quercetin-3-O-alpha-L-rhamnopyranoside_CE10(8) delphinidin 3-O-Rutinoside(8) Quercetin hexose(8) delphinidin 3-O-Rutinoside(8) delphinidin 3-glucoside-5-acetylrhamnoside(8) Delphinidin-3-O-(6''-O-alpha-rhamnopyranosyl-beta-glucopyranoside)_CE60(8) Quercetin-3-D-xyloside_CE50(8) Hyperoside_CE30(7) Rutin _CE60(6) Quercetin 3'/4'-rhamnose(5) rhodionin:7-O-? -L-rhamnopyranosylherbacetin(5) quercetin-3-O-beta-glucopyranoside_CE10(5) Quercetin 3'/4'-rhamnose(5) Herbacetin 7-O-rhamnose(5)
Represetative peak	This peak

eFP visualizaion

Raw chromatograms

MS2Ts

ATH06p09261

ATH06p09947

ATH07p08697

ATH07p08917

ATH07p09131

ATH08p09717

ATH08p09720

ATH08p10182

ATH08p10415

ATH10p08140

ATH11p09106

ATH11p09425

ATH11p09532

ATH11p09760

ATH12p08604

ATH12p08992

ATH13p11000

ATH13p11574

ATH14p10048

ATH14p10051

ATH14p10482

ATH14p10783

ATH56p10031

ATH56p10821

ATH57p09604

ATH57p09861

ATH57p10650

ATH58p11547

ATH58p11817

ATH58p12508

ATH58p12511

ATH59p10164

ATH61p11596

ATH61p12130

ATH61p12388

ATH61p12391

ATH62p09168

ATH62p09956

ATH63p12574

ATH63p12821

ATH63p13296

ATH64p12151

ATH64p12154

ATH64p12794

ATH64p13037

Peak intensity data

Sample	1	2	3	4	Average
ATGE_1	0.0026	0.0166	0.0218	0.0212	0.0155
ATGE_7	0.0647	0.0741	0.0915	0.0796	0.0775
ATGE_9	0.0395	0.0431	0.0288	0.002	0.0283
ATGE_10	0.0232	0.0299	0.0266	0.0224	0.0255
ATGE_12	0.0014	0.0017	0.002	0.0081	0.0033
ATGE_13	0.009	0.0082	0.0066	0.072	0.0239
ATGE_14	0.0203	0.0158	0.0142	0.0177	0.017
ATGE_15	0.1478	0.0517	0.0256	0.0414	0.0666
ATGE_16	0.1133	0.0804	0.0931	0.1122	0.0998
ATGE_19	0.0145	0.0037	0.0232	0.0275	0.0173
ATGE_20	0.0341	0.0504	0.0533	0.0615	0.0499
ATGE_21	0.0366	0.0489	0.0492	0.0489	0.0459
ATGE_25	0.0022	0.0018	0.0086	0.0015	0.0035
ATGE_26	0.0284	0.0406	0.0316	0.0318	0.0331
ATGE_27	0.0244	0.0137	0.0221	0.0411	0.0253
ATGE_28	0.0361	0.0157	0.0329	0.0479	0.0332
ATGE_29	0.6111	0.6115	0.6791	0.6707	0.6431
ATGE_32	1.1927	1.1211	1.064	1.0117	1.0974
ATGE_33	0.9227	1.114	1.0206	0.8872	0.9861
ATGE_39	0.967	0.9031	0.955	0.7021	0.8818
ATGE_41	0.2349	0.2121	0.2205	0.2205	0.222
ATGE_42	0.5398	0.3934	0.366	0.3704	0.4174
ATGE_45	1.1661	1.0476	0.753	0.7527	0.9298
ATGE_76	16.2967	2.8597	15.9142	15.6255	12.674
ATGE_77	23.3858	14.1065	23.0564	19.6076	20.0391
ATGE_78	25.4133	0.0033	0.0014	0.0428	6.3652
ATGE_84	0.0773	0.1108	0.1581	0.0978	0.111
ATGE_91	0.0226	0.011	0.0017	0.0156	0.0127
ATGE_92	0.6399	1.0404	0.6797	0.7502	0.7775
ATGE_93	0.4974	0.4533	0.3873	0.3413	0.4198
ATGE_95	0.5315	0.4621	0.5167	0.3257	0.459
ATGE_96	0.0208	0.0293	0.0215	0.0317	0.0258
ATGE_97	0.0271	0.0587	0.0628	0.0548	0.0509
ATGE_98	0.2547	0.928	0.2651	0.2515	0.4248
ATGE_99	0.4752	0.5502	0.3922	0.3365	0.4385
ATGE_101	0.0018	0.0131	0.0021	0.0291	0.0115