AtMetExpress Development LC-MS

Perk Nr:adp032959. Quercetin-triHex

Polarity: [POSITIVE]
Retention time: 2.91
m/z: 789
Annotation: Quercetin-triHex
Annotation level: Characterized
compound:
MS2Ts 5 MS2Ts
KNApSAcK C37H41O19(3):C31H30O14+C6H10O5;
C33H45N2O16S2(3):C33H46N2O17S2-H2O;
C33H41O22(2):6-Hydroxykaempferol 3,6,7-triglucoside , Herbaceti
C40H37O17(1):C40H36O16+O; C39H34O16+CH3O; ,
in-house MS/MS delphinidin 3-glucoside(4)
Ellagic acid hexose(4)
delphinidin 3-O-Glucoside(4)
Delphinidin 3-Galactoside(4)
Quercetin-3,4'-O-di-beta-glucopyranoside_Ramp5-45 V(4)
Delphinidin 3,5-Diglucoside(4)
Delphinidin-3-O-beta-glucopyranoside_CE20(4)
delphinidin 3-glucoside-5-rhamnoside(4)
Quercetin-3-O-beta-D-galactoside_CE10(4)
similar to peak 7(4)
Spiraeoside_CE20(4)
Quercetin-3,4'-O-di-beta-glucopyranoside_CE30(4)
delphinidin 3,5-diglucoside(4)
Delphinidin 3-Glucoside(4)
(NC-OMe)-Hex ? isomer #2(4)
quercetin-3-O-beta-glucopyranoside_CE10(4)
delphinidin 3-glucoside(4)
quercetin 3-rutinoside(4)
quercetin 3-neo hesperidoside(4)
delphinidin 3-glucoside(4)
delphinidin 3-O-Rutinoside(4)
delphinidin 3-rutinoside(4)
delphinidin 3-O-Glucoside(4)
Quercetin hexose(4)
rhamnosyl hexosyl quercetin (4)
Delphinidin 3-Rutinoside(4)
delphinidin 3-glucoside(4)
Q-Hex (T4). (4)
delphinidin 3-galactoside(4)
Delphinidin 3-Glucoside(4)
quercetin 3-glucoside(4)
delphinidin 3-O-Rutinoside(4)
delphinidin 3-O-Glucoside(4)
delphinidin 3-glucoside-5-acetylrhamnoside(4)
delphinidin 3-glucoside(4)
Quercetin dihexose(4)
rutin(4)
delphinidin 3-glucoside(4)
Delphinidin-3-O-beta-glucopyranoside_Ramp5-45 V(3)
(NC-OMe)-Hex ? isomer #1(3)
Rutin _CE20(3)
Spiraeoside_Ramp5-45 V(3)
Quercetin-3-(6-malonyl)-Glucoside_Ramp5-45 V(2)
Quercetin-3-O-beta-D-galactoside_CE20(2)
herbacetin-di-O-glucoside(2)
Hyperoside_CE20(2)
Quercetin-3,4'-O-di-beta-glucopyranoside_CE40(2)
Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE40(1)
Spiraeoside_CE30(1)
Herbacetin di-O-glucoside(1)
Hyperoside_Ramp5-45 V(1)
Hinokitiol_Ramp5-45 V(1)
delphinidin 3-malonylglucoside(1)
delphinidin 3-arabinoside(1)
delphinidin 3-galactoside(1)
delphinidin 3-glucoside(1)
Peltatoside_Ramp5-45 V(1)
N1-Acetylspermine Trihydrochloride_CE30(1)
Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_Ramp5-45 V(1)
Quercetin-3-D-xyloside_CE20(1)
dihexosyl quercetin (1)
alpha-Tocotrienol_Ramp5-45 V(1)
Quercetin_CE20(1)
Quercetin-3-O-glucose-6''-acetate_Ramp5-45 V(1)
trans-2-Hexenal_Ramp5-45 V(1)
Quercetin-3-Arabinoside_Ramp5-45 V(1)
(2R)-2-Hydroxy-2-phenethylglucosinolate_Ramp5-45 V(1)
Herbacetin di-O-glucoside(1)
delta-Tocotrienol_Ramp5-45 V(1)
Peltatoside_CE20(1)
Hyperoside_CE10(1)
Delphinidin-3-O-beta-glucopyranoside_CE50(1)
DL-3,4-Dihydroxymandelic acid _Ramp5-45 V(1)
delphinidin 3-(6''-coumaroyl)glucoside(1)
Quercetin-3-O-beta-D-galactoside_CE30(1)
Quercetin-7-O-rhamnoside_Ramp5-45 V(1)
Quercetin_CE10(1)
Hesperetin_CE20(1)
Quercetin-3-O-glucose-6''-acetate_CE20(1)
Hesperetin_CE10(1)
D-Mannose 6-phosphate mono sodium salt_Ramp5-45 V(1)
Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside_CE40(1)
quercetin 3-O-a-rhamnopyranoside(1)
quercetin-3-O-beta-glucopyranoside_Ramp5-45 V(1)
Quercetin-3-D-xyloside_Ramp5-45 V(1)
Quercetin-3-Glucuronide_CE30(1)
4-Nitrophenol_Ramp5-45 V(1)
delphinidin 3-(6''-acetyl)glucoside(1)
4-Hydroxybenzoate_Ramp5-45 V(1)
PIPES_CE10(1)
Calciferol_Ramp5-45 V(1)
Quercetin-3-Glucuronide_Ramp5-45 V(1)
Quercetin_Ramp5-45 V(1)
Quercetin-3-O-beta-D-galactoside_Ramp5-45 V(1)
Delphinidin-3-O-(6''-O-alpha-rhamnopyranosyl-beta-glucopyranoside)_Ramp5-45 V(1)
Disodium Glycerophoshate 5.5-Hydrate_Ramp5-45 V(1)
Represetative peak This peak

eFP visualizaion


Raw chromatograms


MS2Ts

ATH06p11447

ATH08p11857

ATH11p11055

ATH56p13829

ATH58p14688

Peak intensity data

Sample 1 2 3 4 Average
ATGE_1 0.0026 0.0015 0.0015 0.0013 0.0018
ATGE_7 0.0019 0.0013 0.0019 0.0014 0.0016
ATGE_9 0.0021 0.002 0.0023 0.002 0.0021
ATGE_10 0.0015 0.0023 0.0014 0.0014 0.0017
ATGE_12 0.0014 0.0017 0.002 0.0014 0.0016
ATGE_13 0.0015 0.0018 0.0022 0.0017 0.0018
ATGE_14 0.002 0.0019 0.0015 0.0019 0.0018
ATGE_15 0.0014 0.0014 0.002 0.0021 0.0017
ATGE_16 0.0018 0.0018 0.0027 0.0017 0.002
ATGE_19 0.0018 0.0037 0.0019 0.0018 0.0023
ATGE_20 0.0019 0.0018 0.0017 0.0018 0.0018
ATGE_21 0.0019 0.0021 0.0017 0.0019 0.0019
ATGE_25 0.0014 0.0018 0.0013 0.0015 0.0015
ATGE_26 0.0019 0.0022 0.002 0.0016 0.0019
ATGE_27 0.0015 0.0016 0.0015 0.002 0.0017
ATGE_28 0.002 0.0018 0.0018 0.0015 0.0018
ATGE_29 0.0016 0.0022 0.0017 0.0016 0.0017
ATGE_32 0.0936 0.0834 0.0794 0.0736 0.0825
ATGE_33 0.0492 0.0744 0.0433 0.0483 0.0538
ATGE_39 0.016 0.0203 0.0143 0.0087 0.0148
ATGE_41 0.0016 0.0093 0.0012 0.0012 0.0033
ATGE_42 0.0018 0.0014 0.0014 0.0019 0.0016
ATGE_45 0.0016 0.0053 0.0017 0.0018 0.0026
ATGE_76 0.0014 0.0017 0.0016 0.002 0.0017
ATGE_77 0.0017 0.0022 0.003 0.0019 0.0022
ATGE_78 0.0061 0.0033 0.0014 0.0028 0.0034
ATGE_84 0.0018 0.0019 0.0016 0.0015 0.0017
ATGE_91 0.0016 0.002 0.0017 0.0018 0.0018
ATGE_92 0.0554 0.0473 0.0401 0.0995 0.0606
ATGE_93 0.002 0.002 0.0021 0.0015 0.0019
ATGE_95 0.0021 0.0019 0.0018 0.0015 0.0018
ATGE_96 0.0014 0.0017 0.0017 0.0015 0.0016
ATGE_97 0.0016 0.0021 0.002 0.0019 0.0019
ATGE_98 0.0015 0.0034 0.0016 0.0015 0.002
ATGE_99 0.0019 0.0013 0.0019 0.0021 0.0018
ATGE_101 0.0018 0.0015 0.0021 0.0018 0.0018
RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch