AtMetExpress Development LC-MS

Perk Nr:adp014409. Vanilloylcholine(4-O-b)G

Polarity: [POSITIVE]
Retention time: 3.35
m/z: 450
Annotation: Vanilloylcholine(4-O-b)G
Annotation level: Characterized
compound:
MS2Ts 23 MS2Ts
KNApSAcK C23H32N1O8(11):C17H21NO3+C6H10O5;
C21H22O11(8):Cyanidin 3-O-glucoside;Chrysanthemin, Idaein;Cyani
C17H25N1O11P1(7):C11H14NO6P+C6H10O5;
in-house MS/MS ferulic acid(9)
Caffeine,Anhydrous_Ramp5-45 V(9)
ferulic acid(9)
Caffeine,Anhydrous_CE10(8)
Caffeine,Anhydrous_CE20(8)
4-Hydroxy-3-methoxycinnamic acid_Ramp5-45 V(8)
4-Hexosyloxy-3-methoxybenzoylcholine (Vanilloylcholine 4-O-hexoside(8)
Caffeine,Anhydrous_30V(7)
Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE50(5)
Spiraeoside_CE30(4)
Rutin _CE40(4)
Quercetin-3,7-O-alpha-L-dirhamnopyranoside_Ramp5-45 V(4)
Quercetin-3-O-alpha-L-rhamnopyranoside_Ramp5-45 V(4)
Peltatoside_CE30(4)
4-[2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-hydroxymethylethoxy]-3-methoxybenzoylcholine(Vanilloylcholine(4-O-b)(4)
Delphinidin-3-O-beta-glucopyranoside_CE40(4)
Quercetin-3-Glucuronide_CE30(4)
Quercetin-3-O-alpha-L-rhamnopyranoside_CE20(4)
Rutin _CE30(4)
Peltatoside_CE50(3)
Hesperidin_Ramp5-45 V(3)
Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE40(3)
Quercetin-3,4'-O-di-beta-glucopyranoside_CE50(3)
delphinidin 3-O-Glucoside(3)
Hyperoside_Ramp5-45 V(3)
Quercetin-3-O-glucose-6''-acetate_CE50(3)
Quercetin-3-(6-malonyl)-Glucoside_Ramp5-45 V(3)
quercetin-3-O-beta-glucopyranoside_CE20(3)
delphinidin 3-malonylglucoside(3)
Quercetin-3-Arabinoside_CE20(3)
Quercitrin_Ramp5-45 V(3)
Ellagic Acid(3)
delphinidin 3-arabinoside(3)
Quercetin-3-O-glucose-6''-acetate_CE30(3)
delphinidin 3-galactoside(3)
Delphinidin 3-Galactoside(3)
Quercetin-3,4'-O-di-beta-glucopyranoside_Ramp5-45 V(3)
Peltatoside_CE40(3)
delphinidin 3-glucoside(3)
Quercetin-3-Glucuronide_CE40(3)
Peltatoside_Ramp5-45 V(3)
Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_Ramp5-45 V(3)
quercetin-3-O-beta-glucopyranoside_CE50(3)
Quercetin-3-D-xyloside_CE20(3)
dihexosyl quercetin (3)
Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside_CE60(3)
PIPES_CE20(3)
Quercetin-3,4'-O-di-beta-glucopyranoside_CE60(3)
Quercetin-3-Rhamnoside_Ramp5-45 V(3)
Quercetin_CE20(3)
Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE60(3)
Delphinidin-3-O-(6''-O-alpha-rhamnopyranosyl-beta-glucopyranoside)_CE40(3)
Delphinidin-3-O-beta-glucopyranoside_Ramp5-45 V(3)
Quercetin-3-O-glucose-6''-acetate_Ramp5-45 V(3)
Quercetin-3-O-beta-D-galactoside_CE40(3)
Quercetin-3-Arabinoside_Ramp5-45 V(3)
Delphinidin 3-Glucoside(3)
Quercetin-3-O-b-glucopyranosyl-7-O-a-rhamnopyranoside_Ramp5-45 V(3)
Quercetin-3-Arabinoside_CE30(3)
delphinidin 3-glucoside(3)
delphinidin 3-O-(6-O-p-coumaroyl)glucoside(3)
Peltatoside_CE20(3)
Quercetin-3-O-beta-D-galactoside_CE20(3)
Delphinidin-3-O-beta-glucopyranoside_CE60(3)
Delphinidin-3-O-beta-glucopyranoside_CE50(3)
Rutin _CE50(3)
Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside_CE50(3)
delphinidin 3-(6''-coumaroyl)glucoside(3)
Quercetin-3-Arabinoside_CE40(3)
Quercetin-3-O-beta-D-galactoside_CE30(3)
Quercetin-7-O-rhamnoside_Ramp5-45 V(3)
Quercetin_CE10(3)
Hesperetin_CE20(3)
Quercetin-3-Glucuronide_CE20(3)
(NC-OMe)-Hex ? isomer #1(3)
Quercetin-3-Rhamnoside_CE20(3)
Quercetin-3-O-glucose-6''-acetate_CE20(3)
Quercetin-3-O-beta-D-galactoside_CE50(3)
Spiraeoside_CE60(3)
Hesperetin_CE10(3)
Spiraeoside_CE50(3)
Quercitrin_CE20(3)
Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside_CE40(3)
quercetin 3-O-a-rhamnopyranoside(3)
Peltatoside_CE60(3)
delphinidin 3-O-Glucoside(3)
Hyperoside_CE40(3)
quercetin-3-O-beta-glucopyranoside_Ramp5-45 V(3)
Quercetin-3-O-alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside_Ramp5-45 V(3)
delphinidin 3-glucoside(3)
Delphinidin-3-O-(6''-O-alpha-rhamnopyranosyl-beta-glucopyranoside)_CE50(3)
PIPES_CE30(3)
Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside_CE50(3)
Quercetin-3-D-xyloside_CE40(3)
delphinidin 3-xyloside-glucoside(3)
Quercetin-3-D-xyloside_Ramp5-45 V(3)
Delphinidin 3-Glucoside(3)
Hyperoside_CE20(3)
quercetin 3-glucoside(3)
Quercetin-3,7-O-alpha-L-dirhamnopyranoside_CE40(3)
delphinidin 3-(6''-acetyl)glucoside(3)
delphinidin 3-O-Glucoside(3)
delphinidin 3-glucoside p-coumaric(3)
Spiraeoside_Ramp5-45 V(3)
quercetin-3-O-beta-glucopyranoside_CE30(3)
Hyperoside_CE30(3)
Quercetin-3-O-glucose-6''-acetate_CE40(3)
Quercetin-3-D-xyloside_CE30(3)
quercetin-3-O-beta-glucopyranoside_CE40(3)
Quercetin-3,4'-O-di-beta-glucopyranoside_CE40(3)
PIPES_CE10(3)
rutin(3)
Delphinidin-3-O-(6''-O-alpha-rhamnopyranosyl-beta-glucopyranoside)_CE60(3)
Quercetin-3-Glucuronide_Ramp5-45 V(3)
Quercetin_Ramp5-45 V(3)
Quercetin-3-O-beta-D-galactoside_Ramp5-45 V(3)
Delphinidin-3-O-(6''-O-alpha-rhamnopyranosyl-beta-glucopyranoside)_Ramp5-45 V(3)
Quercetin-3-D-xyloside_CE50(3)
Delphinidin-3-O-beta-glucopyranoside_CE30(3)
Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside_CE30(3)
Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE30(3)
Spiraeoside_CE40(3)
Represetative peak This peak

eFP visualizaion


Raw chromatograms


MS2Ts

ATH06p06368

ATH06p06796

ATH08p06466

ATH08p07045

ATH11p06685

ATH11p06890

ATH11p07165

ATH13p07410

ATH13p07765

ATH13p07925

ATH13p08162

ATH14p07525

ATH56p06756

ATH58p07333

ATH61p07916

ATH61p08145

ATH61p08333

ATH63p08009

ATH63p08012

ATH63p08784

ATH63p08787

ATH64p08143

ATH64p08381

Peak intensity data

Sample 1 2 3 4 Average
ATGE_1 0.0026 0.03 0.0296 0.0013 0.0159
ATGE_7 0.0019 0.0197 0.0019 0.0014 0.0062
ATGE_9 0.0439 0.0524 0.0841 0.0408 0.0553
ATGE_10 0.0015 0.0015 0.0014 0.0014 0.0015
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 0.0059 0.0015 0.0019 0.0028
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 0.0013 0.0016 0.002 0.0016 0.0016
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 0.0018 0.0026 0.0023 0.0033 0.0025
ATGE_33 0.0016 0.0028 0.002 0.0021 0.0021
ATGE_39 0.0016 0.002 0.002 0.0017 0.0018
ATGE_41 0.0032 0.0015 0.0012 0.0012 0.0018
ATGE_42 0.0018 0.0014 0.0057 0.0019 0.0027
ATGE_45 0.0016 0.0015 0.0017 0.0018 0.0017
ATGE_76 0.0014 0.0017 0.0016 0.024 0.0072
ATGE_77 0.0025 0.0244 0.003 0.0019 0.0079
ATGE_78 0.002 0.0033 0.0014 0.0414 0.012
ATGE_84 0.656 0.7356 0.5375 0.5477 0.6192
ATGE_91 0.0134 0.002 0.0017 0.0018 0.0047
ATGE_92 0.0025 0.0017 0.0017 0.0016 0.0019
ATGE_93 0.0358 0.0363 0.0317 0.0381 0.0354
ATGE_95 0.0262 0.0287 0.0316 0.0336 0.03
ATGE_96 0.0674 0.0817 0.0881 0.0818 0.0797
ATGE_97 0.0025 0.0021 0.002 0.0299 0.0091
ATGE_98 0.0415 0.0462 0.0425 0.0375 0.0419
ATGE_99 0.0371 0.031 0.0359 0.0395 0.0359
ATGE_101 0.0018 0.0015 0.0021 0.0018 0.0018
RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch