AtMetExpress Development LC-MS

Perk Nr:adp030265.

Polarity: [POSITIVE]
Retention time: 4.02
m/z: 741
Annotation:
Annotation level: Unknown
compound:
MS2Ts 17 MS2Ts
KNApSAcK C32H41N2O16S1(7):C32H42N2O17S-H2O;
C33H41O19(6):Apigenin 7-rutinoside-4'-glucoside, Apigenin 7-neo
C35H37N2O16(6):C35H36N2O15+O;
C36H37O17(6):Apigenin 7-rutinoside-4'-trans-caffeate, Kaempfero
C44H37O11(4):Guibourtinidol-(4alpha->2)-3,5,4'-trihydroxystilbe
C32H37O20(3):C32H36O19+O; C31H34O19+CH3O; C32H38O21-H2O;
C37H41O16(2):C37H40O15+O;
C41H41O13(2):C40H38O12+CH3O;
in-house MS/MS cyanidin 3-O-rhamnoside(13)
Kaempferol-3,7-O-bis-alpha-L-rhamnoside_Ramp5-45 V(13)
Kaempferol-3-Glucoside-2-Rhamnoside,-7-Rhamnoside?_Ramp5-45 V(13)
Kaempferol-3,7-O-di-rhamnopyranoside_Ramp5-45 V(13)
Kaempferol-3-O-alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside_Ramp5-45 V(13)
Robinin_Ramp5-45 V(13)
Kaempferol-3-Rhamnoside-7-Rhamnoside_Ramp5-45 V(13)
Kaempferol-3-O-beta-D-glucoside-7-O-alpha-L-rhamnoside_Ramp5-45 V(12)
Kaempferol-3-O-b-glucopyranosyl-7-O-a-rhamnopyranoside_Ramp5-45 V(12)
Robinin_CE40(12)
cyanidin-3-O-rhamnoside chloride_CE20(12)
Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside_CE40(12)
Kaempferol-3-O-beta-D-galactoside-7-O-alpha-L-rhamnoside_Ramp5-45 V(12)
Kaempferol-3-O-alpha-L-rhamnoside_CE10(12)
Kaempferol-3-O-beta-D-galactoside-7-O-alpha-L-rhamnoside_CE30(12)
cyanidin 3-(glucosyl)rhamnoside(12)
Kaempferol-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside_CE40(12)
Kaempferol-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside_CE30(12)
Kaempferol-3-Rhamnoside-4-Rhamnoside,-7-Rhamnoside_Ramp5-45 V(12)
kaempferol 3-O-a-rhamnopyranoside(12)
Kaempferol-7-O-alpha-L-rhamnoside_CE20(12)
Cyanidin-3-O-Glucoside(11)
Cyanidin 3-(Glucosyl)Rhamnoside(11)
Kaempferol-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside_CE50(9)
cyanidin 3-rutinoside(9)
Kaempferol-3-Glucoside-3''-Rhamnoside_CE40(9)
Kaempferol-3-O-beta-D-glucoside-7-O-alpha-L-rhamnoside_CE40(9)
Kaempferol-3-O-beta-D-glucoside-7-O-alpha-L-rhamnoside_CE30(9)
2',6'-Dihydroxy-4-Methoxychalcone-4'-O-Neohesperidoside_CE30(9)
Robinin_CE50(9)
Cyanidin-3-O-Rutinoside(9)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE50(9)
Cyanidin 3-O-(6-O-p-coumaroyl)glucoside(9)
cyanidin-3-glucoside p-coumaric(9)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)-5-O-beta-glucopyranoside_CE60(9)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)-5-O-beta-glucopyranoside_Ramp5-45 V(9)
Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)_CE30(9)
cyanidin-3,5-di-O-glucoside chloride_CE40(9)
kaempferol-3-O-glucoside_CE20(9)
Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside_CE50(9)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)-5-O-beta-glucopyranoside_CE50(9)
Poncirin_CE40(8)
Keracyanin Chloride_CE60(8)
Kaempferol-3-Glucoside-3''-Rhamnoside_CE30(8)
Cyanidin-3-O-(6''-O-(E-p-coum)-2''-O-(beta-xylopyranosyl)-beta-glucopyranoside)-5-O-beta-glucopyranoside trifluoroacetate salt_CE60(8)
cyanidin 3-O-galactosyl-rhamnoside(8)
Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)_CE60(8)
Keracyanin Chloride_CE50(8)
Kaempferol-3-Glucuronide_CE20(8)
Kaempferol-3-Glucoside_CE40(8)
Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)_CE50(8)
Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside_CE50(8)
Cyanidin-3-O-alpha-arabinopyranoside_CE30(8)
cyanidin 3-rutinoside(8)
kaempferol-3-O-rutinoside_CE30(8)
Kaempferol-7-O-alpha-L-rhamnoside_CE60(8)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE30(8)
Datiscin_CE40(8)
Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)_CE40(8)
cyanidin-3,5-di-O-glucoside chloride_CE60(7)
Kaempferol-7-O-alpha-L-rhamnoside_CE40(7)
Kaempferol-7-O-alpha-L-rhamnoside_CE30(7)
Cyanidin-3-O-alpha-arabinopyranoside_CE40(7)
luteolin-4'-O-glucoside_CE50(7)
cyanidin-3,5-di-O-glucoside chloride_CE50(7)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE40(7)
cyanidin-3-glucoside chloride_CE30(7)
Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside_CE20(7)
cyanidin-3-glucoside chloride_CE50(7)
Isosakuranetin_CE20(7)
cyanidin-3-glucoside chloride_CE60(7)
Kaempferol-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside_CE40(7)
Ideain chloride_CE60(7)
kaempferol-7-O-neohesperidoside_CE20(7)
Datiscin_CE50(7)
kaempferol-3-O-rutinoside_CE40(7)
Luteolin_CE40(7)
cyanidin 3-glucoside(6)
cyanidin-3-O-rhamnoside chloride_CE40(6)
Cyanidin 3-Glucoside(6)
kaempferol-7-O-neohesperidoside_CE50(6)
kaempferol-3-O-rutinoside_CE20(6)
Kaempferol 3-Glucoside(6)
Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside_CE60(6)
kaempferol-7-O-neohesperidoside_CE30(6)
Maritimein_CE40(6)
divaricataester C(6)
Cyanidin-3-O-Glucoside(6)
cyanidin 3-glucoside(6)
luteolin-3',7-di-O-glucoside _CE60(6)
Cyanidin 3-Glucoside(6)
Cyanidin 3-Glucoside(6)
cyanidin-3-O-rhamnoside chloride_CE60(6)
kaempferol 3-O-b-glucopyranoside-7-O-a-rhamnopyranoside(6)
2',6'-Dihydroxy-4-Methoxychalcone-4'-O-Neohesperidoside_CE40(6)
cyanidin-3-glucoside(6)
luteolin-7-O-glucoside_CE60(6)
Datiscin_CE60(6)
Cyanidin 3-Galactoside(6)
Cyanidin 3-Glucoside(6)
kaempferol-7-O-neohesperidoside_CE60(6)
Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside_CE60(5)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE60(5)
cyanidin-3-glucoside chloride_CE20(4)
kaempferol-7-O-neohesperidoside(4)
Robinin_CE60(4)
Kaempferol O-rhamnoside, O-hexosyl-rhamnoside hexoside(4)
Kaempferol-3-O-alpha-L-rhamnoside_CE20(4)
kaempferol-3-O-rutinoside_CE50(4)
Kaempferol-3,7-O-bis-alpha-L-rhamnoside_CE40(4)
Ideain chloride_CE40(4)
Kaempferol-3-Glucoside_CE30(4)
luteolin-3',7-di-O-glucoside_Ramp5-45 V(4)
Cyanidin 3-Diglucoside(3)
kaempferol-7-O-neohesperidoside_CE20(3)
Cyanidin 3-(3''-Malonyl)Glucoside(3)
cyanidin-3-O-rhamnoside chloride_CE50(3)
Cyanidin 3-(6''-Malonyl Glucoside)(3)
Cyanidin 3-Laminaribioside(3)
Cyanidin 3-(3''-Malonyl)Glucoside(3)
Cyanidin 3-O-glucuronide(3)
Cyanidin 3-(6''-Acetyl) Glucoside(3)
Dehydroevodiamine(3)
Kaempferol-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside_CE60(3)
kaempferol-7-O-neohesperidoside_CE60(3)
Kaempferol-3-O-beta-D-glucoside-7-O-alpha-L-rhamnoside_CE60(3)
Cyanidin 3-(6''-Malonyl-Laminaribioside)(3)
cyanidin-3-sophoroside(3)
Cyanidin 3-(3''-Acetyl)Glucoside(3)
cyanidin-3-xyloside-glucoside(3)
cyanidin 3-sophoroside(3)
Cyanidin-3-O-alpha-arabinopyranoside_CE50(2)
luteolin-7-O-glucoside_CE40(2)
Kaempferol-3-Rhamnoside-7-Rhamnoside_CE40(2)
Cyanidin-3-O-alpha-arabinopyranoside_CE60(2)
Ideain chloride_CE50(2)
Kaempferol 3-O-rutinoside(2)
Kaempferol-3-O-beta-D-galactoside-7-O-alpha-L-rhamnoside_CE60(2)
Kaempferol-3,7-O-di-rhamnopyranoside_CE30(2)
luteolin-7-O-glucoside_CE50(2)
Kaempferol-3-Glucoside-3''-Rhamnoside_CE20(2)
Kaempferol-3-Glucoside-3''-Rhamnoside_CE50(2)
Kaempferol-3-O-beta-D-galactoside-7-O-alpha-L-rhamnoside_CE50(2)
Represetative peak This peak

eFP visualizaion


Raw chromatograms


MS2Ts

ATH06p11351

ATH08p11764

ATH08p11767

ATH09p10677

ATH10p09331

ATH12p10278

ATH14p11722

ATH14p11725

ATH56p13624

ATH56p13627

ATH58p14130

ATH58p14537

ATH59p11963

ATH61p15128

ATH63p13128

ATH64p14415

ATH64p14418

Peak intensity data

Sample 1 2 3 4 Average
ATGE_1 0.0026 0.0015 0.0062 0.0013 0.0029
ATGE_7 0.0222 0.0204 0.0218 0.0246 0.0223
ATGE_9 0.0021 0.002 0.0023 0.002 0.0021
ATGE_10 0.0069 0.0015 0.0014 0.0127 0.0056
ATGE_12 0.0014 0.0017 0.002 0.0014 0.0016
ATGE_13 0.0015 0.0164 0.0022 0.0391 0.0148
ATGE_14 0.0254 0.0019 0.0015 0.0019 0.0077
ATGE_15 0.07 0.0247 0.002 0.0021 0.0247
ATGE_16 0.1454 0.0505 0.0431 0.1543 0.0983
ATGE_19 0.0072 0.0037 0.0019 0.0018 0.0037
ATGE_20 0.0126 0.0405 0.0017 0.0317 0.0216
ATGE_21 0.0183 0.062 0.0663 0.024 0.0426
ATGE_25 0.0014 0.0018 0.0013 0.0015 0.0015
ATGE_26 0.0026 0.0022 0.002 0.0016 0.0021
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 0.1618 0.4284 0.1527 0.1662 0.2273
ATGE_32 0.09 0.2414 0.0918 0.0719 0.1238
ATGE_33 0.1494 0.163 0.162 0.2631 0.1844
ATGE_39 0.167 0.371 0.1973 0.172 0.2268
ATGE_41 0.0171 0.0015 0.0012 0.0012 0.0052
ATGE_42 0.7328 0.2328 0.217 0.4193 0.4005
ATGE_45 0.0016 0.0276 0.0017 0.0509 0.0205
ATGE_76 0.0111 0.0017 0.0016 0.0313 0.0114
ATGE_77 0.0017 0.0022 0.003 0.0019 0.0022
ATGE_78 0.002 0.005 0.0014 0.0042 0.0032
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 0.1151 0.1042 0.1248 0.2936 0.1594
ATGE_93 0.002 0.0404 0.037 0.0023 0.0204
ATGE_95 0.0031 0.0325 0.018 0.0015 0.0138
ATGE_96 0.0014 0.0017 0.0017 0.0015 0.0016
ATGE_97 0.0016 0.0021 0.002 0.0109 0.0042
ATGE_98 0.0015 0.0051 0.0024 0.0015 0.0026
ATGE_99 0.0476 0.0269 0.0019 0.0021 0.0196
ATGE_101 0.0018 0.0015 0.0021 0.0018 0.0018
RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch