AtMetExpress Development LC-MS

Perk Nr:adp020425.

Polarity: [POSITIVE]
Retention time: 4.38
m/z: 565
Annotation:
Annotation level: Unknown
compound:
MS2Ts 17 MS2Ts
KNApSAcK C33H25O9(8):C33H24O10-O; C33H26O10-H2O;
C18H34N2O14P1S1(6):C12H23N2O9PS+C6H10O5;
C30H29O11(6):C30H28O10+O; C30H28O12-O; C29H26O10+CH3O; C24H18O6
C23H33O16(4):C17H22O11+C6H10O5;
C34H29O8(4):Bicaryanone A;(2S,4bR,7aS,7bR,8R,11S,13aR,13bR,14R
C29H29N2O10(4):C23H18N2O5+C6H10O5;
in-house MS/MS cyanidin-3,5-di-O-glucoside chloride_CE60(9)
kaempferol-3-O-rutinoside_Ramp5-45 V(9)
Kaempferol-3-Glucoside_CE20(9)
Ideain chloride_CE30(9)
Kaempferol-3-O-beta-D-glucoside-7-O-alpha-L-rhamnoside_Ramp5-45 V(9)
Kaempferol-3-Glucoside-3-Rhamnoside_Ramp5-45 V(9)
Kaempferol-7-O-alpha-L-rhamnoside_Ramp5-45 V(9)
cyanidin 3-diglucoside(9)
Kaempferol-3-Rhamnoside_Ramp5-45 V(9)
Kaempferol-3-O-b-glucopyranosyl-7-O-a-rhamnopyranoside_Ramp5-45 V(9)
Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside_CE30(9)
Kaempferol-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside_CE50(9)
Kaempferol-3-O-beta-D-glucoside-7-O-alpha-L-rhamnoside_CE50(9)
Luteolin_CE20(9)
Kaempferol-3-Glucuronide_CE30(9)
Keracyanin Chloride_CE60(9)
kaempferol-7-O-neohesperidoside_CE30(9)
Kaempferol-3-O-beta-D-galactoside-7-O-alpha-L-rhamnoside_CE40(9)
luteolin-4'-O-glucoside_Ramp5-45 V(9)
cyanidin-3-glucoside chloride_Ramp5-45 V(9)
Kaempferol-3-Glucoside-3''-Rhamnoside_CE30(9)
kaempferol-7-O-neohesperidoside_Ramp5-45 V(9)
luteolin-4'-O-glucoside_CE40(9)
cyanidin 3-(6''-acetyl)galactoside(9)
cyanidin 3-sambubinoside(9)
Kaempferol-3-O-alpha-L-arabinoside_Ramp5-45 V(9)
Cyanidin-3-O-(6''-O-(E-p-coum)-2''-O-(beta-xylopyranosyl)-beta-glucopyranoside)-5-O-beta-glucopyranoside trifluoroacetate salt_CE60(9)
Cyanidin-3-O-Glucoside(9)
2',6'-Dihydroxy-4-Methoxychalcone-4'-O-Neohesperidoside_CE20(9)
Kaempferol-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside_CE50(9)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE40(9)
cyanidin-3-O-rhamnoside chloride_Ramp5-45 V(9)
Poncirin_CE30(9)
Isosakuranetin_CE10(9)
Cyanidin-3-O-alpha-arabinopyranoside_Ramp5-45 V(9)
Kaempferol-3-Glucoside-3''-Rhamnoside_CE40(9)
Datiscin_CE30(9)
Luteolin_CE10(9)
kaempferol-3-O-glucoside_Ramp5-45 V(9)
Kaempferol-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside_CE60(9)
Kaempferol-3-O-beta-D-glucoside-7-O-alpha-L-rhamnoside_CE40(9)
Poncirin_CE20(9)
Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)_CE60(9)
Kaempferol-3-O-beta-D-glucoside-7-O-alpha-L-rhamnoside_CE30(9)
Luteolin_Ramp5-45 V(9)
2',6'-Dihydroxy-4-Methoxychalcone-4'-O-Neohesperidoside_CE30(9)
Kaempferol-3-Glucoside_Ramp5-45 V(9)
Robinin_CE50(9)
Keracyanin Chloride_CE40(9)
Keracyanin Chloride_CE50(9)
Kaempferol-3-Glucuronide_CE20(9)
cyanidin 3-O-rhamnoside(9)
kaempferol-7-O-neohesperidoside_CE40(9)
Maritimein_Ramp5-45 V(9)
Kaempferol-3-Glucoside_CE40(9)
kaempferol-7-O-neohesperidoside_Ramp5-45 V(9)
kaempferol-3-O-glucoside_CE40(9)
Keracyanin Chloride_Ramp5-45 V(9)
Kaempferol-7-O-alpha-L-rhamnoside_CE50(9)
cyanidin 3-(6''-maronoyl)-laminaribiose(9)
Kaempferol-3,7-O-bis-alpha-L-rhamnoside_Ramp5-45 V(9)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE50(9)
cyanidin 3-galactoside(9)
Robinin_CE40(9)
Cyanidin-3-O-(6''-O-(E-p-coum)-2''-O-(beta-xylopyranosyl)-beta-glucopyranoside)-5-O-beta-glucopyranoside trifluoroacetate salt_CE50(9)
kaempferol-7-O-neohesperidoside_CE40(9)
Kaempferol-3-O-alpha-L-arabinoside_CE20(9)
Datiscin_CE20(9)
cyanidin 3-glucoside(9)
cyanidin 3-malonylglucoside(9)
Kaempferol-3-Glucoside-2-Rhamnoside,-7-Rhamnoside?_Ramp5-45 V(9)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)-5-O-beta-glucopyranoside_CE60(9)
luteolin-7-O-glucoside_CE30(9)
Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)_CE50(9)
Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside_CE50(9)
cyanidin-3-O-rhamnoside chloride_CE60(9)
Kaempferol-3,7-O-di-rhamnopyranoside_Ramp5-45 V(9)
Cyanidin-3-O-alpha-arabinopyranoside_CE30(9)
Sakuranetin_CE10(9)
Ideain chloride_Ramp5-45 V(9)
Kaempferol-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside_CE40(9)
cyanidin-3-O-rhamnoside chloride_CE20(9)
cyanidin 3-(6''-coumaroyl)glucoside(9)
Datiscin_Ramp5-45 V(9)
cyanidin-3,5-di-O-glucoside chloride_Ramp5-45 V(9)
cyanidin 3-sophoroside(9)
luteolin-7-O-glucoside_Ramp5-45 V(9)
Kaempferol_CE10(9)
cyanidin 3-laminaribiose(9)
Kaempferol-3-Glucuronide_Ramp5-45 V(9)
cyanidin 3-arabinoside(9)
Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside_CE40(9)
kaempferol-7-O-neohesperidoside_CE50(9)
Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)_CE30(9)
luteolin-3',7-di-O-glucoside _CE50(9)
kaempferol-3-O-glucoside_CE30(9)
cyanidin-3,5-di-O-glucoside chloride_CE40(9)
Kaempferol-3-Galactoside-6-Rhamnoside-3-Rhamnoside_Ramp5-45 V(9)
Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)_Ramp5-45 V(9)
Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside_CE40(9)
kaempferol-3-O-glucoside_CE20(9)
cyanidin-3-glucoside chloride_CE40(9)
Kaempferol-3-O-alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside_Ramp5-45 V(9)
Sakuranetin_CE20(9)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_Ramp5-45 V(9)
cyanidin 3-dioxaloylglucoside(9)
Robinin_Ramp5-45 V(9)
cyanidin 7-arabinoside(9)
Kaempferol-3-O-beta-D-galactoside-7-O-alpha-L-rhamnoside_Ramp5-45 V(9)
Kaempferol-3-O-alpha-L-rhamnoside_Ramp5-45 V(9)
Kaempferol-3-O-alpha-L-rhamnoside_CE10(9)
Cyanidin-3-O-[6''-O-(E-p-coum)-2''-O-(beta-xylopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside_30V(9)
Maritimein_CE20(9)
cyanidin-3-O-rhamnoside chloride_CE30(9)
Kaempferol-3-O-beta-D-galactoside-7-O-alpha-L-rhamnoside_CE30(9)
Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside_CE50(9)
Kaempferol-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside_CE40(9)
Kaempferol-7-O-alpha-L-rhamnoside_CE60(9)
Kaempferol-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside_CE30(9)
Kaempferol-3-Rhamnoside-7-Rhamnoside_Ramp5-45 V(9)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE30(9)
Kaempferol-3-Rhamnoside-4-Rhamnoside,-7-Rhamnoside_Ramp5-45 V(9)
Datiscin_CE40(9)
cyanidin 3-sophoroside(9)
kaempferol 3-O-a-rhamnopyranoside(9)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)-5-O-beta-glucopyranoside_CE50(9)
cyanidin 3-xyloside(9)
luteolin-4'-O-glucoside_CE30(9)
kaempferol-3-O-rutinoside_CE40(9)
cyanidin 3-(6''-acetoyl)glucoside(9)
Kaempferol_CE20(9)
Kaempferol-7-O-alpha-L-rhamnoside_CE20(9)
Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)_CE40(9)
Kaempferol-7-O-alpha-L-rhamnoside_CE40(8)
Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside_CE60(8)
Cyanidin-3-O-alpha-arabinopyranoside_CE40(8)
Cyanidin 3-(Glucosyl)Rhamnoside(8)
cyanidin-3-glucoside chloride_CE50(8)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)-5-O-beta-glucopyranoside_Ramp5-45 V(8)
Ideain chloride_CE60(8)
cyanidin 3-(glucosyl)rhamnoside(8)
Luteolin_CE40(8)
cyanidin 3-glucoside(7)
cyanidin-3-O-rhamnoside chloride_CE40(7)
Cyanidin 3-Diglucoside(7)
Cyanidin 3-(3''-Malonyl)Glucoside(7)
Poncirin_CE40(7)
Kaempferol-7-O-alpha-L-rhamnoside_CE30(7)
Cyanidin 3-Glucoside(7)
kaempferol-7-O-neohesperidoside_CE50(7)
Cyanidin 3-(6''-Malonyl Glucoside)(7)
luteolin-7-O-glucoside_CE40(7)
Cyanidin 3-Laminaribioside(7)
Kaempferol 3-Glucoside(7)
kaempferol-7-O-neohesperidoside_CE30(7)
Cyanidin 3-(3''-Malonyl)Glucoside(7)
Cyanidin 3-O-glucuronide(7)
cyanidin 3-rutinoside(7)
luteolin-4'-O-glucoside_CE50(7)
cyanidin-3,5-di-O-glucoside chloride_CE50(7)
Cyanidin 3-(6''-Acetyl) Glucoside(7)
Dehydroevodiamine(7)
Maritimein_CE40(7)
divaricataester C(7)
Cyanidin-3-O-Glucoside(7)
cyanidin 3-glucoside(7)
cyanidin-3-glucoside chloride_CE30(7)
Cyanidin-3-O-Rutinoside(7)
Ideain chloride_CE50(7)
Cyanidin 3-(6''-Malonyl-Laminaribioside)(7)
Cyanidin 3-O-(6-O-p-coumaroyl)glucoside(7)
luteolin-3',7-di-O-glucoside _CE60(7)
cyanidin-3-sophoroside(7)
cyanidin-3-glucoside p-coumaric(7)
Isosakuranetin_CE20(7)
Cyanidin 3-Glucoside(7)
Cyanidin 3-Glucoside(7)
cyanidin-3-glucoside chloride_CE60(7)
Kaempferol-3-O-alpha-L-rhamnoside_CE20(7)
cyanidin-3-glucoside(7)
luteolin-7-O-glucoside_CE60(7)
kaempferol-3-O-rutinoside_CE50(7)
Kaempferol-3,7-O-bis-alpha-L-rhamnoside_CE40(7)
Datiscin_CE60(7)
Ideain chloride_CE40(7)
Cyanidin 3-Galactoside(7)
Cyanidin 3-(3''-Acetyl)Glucoside(7)
kaempferol-7-O-neohesperidoside_CE20(7)
kaempferol-3-O-rutinoside_CE30(7)
luteolin-7-O-glucoside_CE20(7)
Cyanidin 3-Glucoside(7)
Kaempferol-3-Glucoside_CE30(7)
Datiscin_CE50(7)
luteolin-3',7-di-O-glucoside_Ramp5-45 V(7)
cyanidin-3-xyloside-glucoside(7)
cyanidin 3-sophoroside(7)
cyanidin-3-O-rhamnoside chloride_CE50(6)
Kaempferol-3,7-O-bis-alpha-L-rhamnoside_CE30(6)
2',6'-Dihydroxy-4-Methoxychalcone-4'-O-Neohesperidoside_CE40(6)
luteolin-7-O-glucoside_CE50(6)
kaempferol-7-O-neohesperidoside_CE60(6)
cyanidin-3-glucoside chloride_CE20(5)
Cyanidin-3-O-alpha-arabinopyranoside_CE50(5)
kaempferol-3-O-rutinoside_CE20(5)
Robinin_CE60(5)
Cyanidin-3-O-alpha-arabinopyranoside_CE60(5)
Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside_CE60(5)
Kaempferol-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside_CE60(5)
kaempferol-7-O-neohesperidoside_CE60(5)
Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside_CE20(5)
Kaempferol-3-O-beta-D-glucoside-7-O-alpha-L-rhamnoside_CE60(5)
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)_CE60(5)
Kaempferol-3-O-beta-D-galactoside-7-O-alpha-L-rhamnoside_CE50(5)
kaempferol-7-O-neohesperidoside(4)
Cyanidin-3-O-[6''-O-(E-p-coum)-2''-O-(beta-xylopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside_Ramp5-45 V(4)
cyanidin 3-O-galactosyl-rhamnoside(4)
Kaempferol-3-O-beta-D-galactoside-7-O-alpha-L-rhamnoside_CE60(4)
cyanidin 3-rutinoside(4)
Kaempferol_CE30(4)
Kaempferol-3-Glucoside-3''-Rhamnoside_CE50(4)
Maritimein_CE30(3)
Kaempferol-3-Rhamnoside-7-Rhamnoside_CE40(2)
N1-Acetylspermine Trihydrochloride_CE30(2)
alpha-Tocotrienol_Ramp5-45 V(2)
delta-Tocotrienol_Ramp5-45 V(2)
DL-3,4-Dihydroxymandelic acid _Ramp5-45 V(2)
4-Hydroxybenzoate_Ramp5-45 V(2)
Calciferol_Ramp5-45 V(2)
Represetative peak This peak

eFP visualizaion


Raw chromatograms


MS2Ts

ATH08p08996

ATH08p09591

ATH11p08750

ATH12p08238

ATH12p08516

ATH56p08837

ATH56p09780

ATH57p08835

ATH59p09095

ATH61p10392

ATH61p10814

ATH62p08020

ATH62p08659

ATH63p11347

ATH64p11288

ATH64p11752

ATH64p11755

Peak intensity data

Sample 1 2 3 4 Average
ATGE_1 0.0026 0.0015 0.0015 0.002 0.0019
ATGE_7 0.0154 0.0013 0.0179 0.0246 0.0148
ATGE_9 0.0021 0.002 0.0023 0.002 0.0021
ATGE_10 0.0015 0.0015 0.0088 0.0104 0.0056
ATGE_12 0.0014 0.0017 0.002 0.0014 0.0016
ATGE_13 0.0015 0.0018 0.0022 0.0364 0.0104
ATGE_14 0.002 0.0119 0.0015 0.0019 0.0043
ATGE_15 0.0657 0.0196 0.0133 0.0244 0.0308
ATGE_16 0.0594 0.0252 0.0278 0.0456 0.0395
ATGE_19 0.0018 0.0037 0.0019 0.0018 0.0023
ATGE_20 0.0205 0.0288 0.0231 0.0253 0.0244
ATGE_21 0.0154 0.0326 0.0295 0.0259 0.0258
ATGE_25 0.0014 0.0028 0.0079 0.0023 0.0036
ATGE_26 0.0178 0.0321 0.002 0.0204 0.0181
ATGE_27 0.0015 0.0016 0.0126 0.0184 0.0085
ATGE_28 0.007 0.0018 0.0018 0.0062 0.0042
ATGE_29 0.1344 0.2053 0.1484 0.1426 0.1577
ATGE_32 0.0527 0.0574 0.0424 0.0535 0.0515
ATGE_33 0.0365 0.0405 0.0433 0.0397 0.04
ATGE_39 0.0449 0.0611 0.046 0.0436 0.0489
ATGE_41 0.0024 0.0015 0.0137 0.0137 0.0078
ATGE_42 0.0018 0.0014 0.0014 0.0019 0.0016
ATGE_45 0.0486 0.0414 0.0292 0.03 0.0373
ATGE_76 0.0208 0.0017 0.0296 0.024 0.019
ATGE_77 0.0267 0.0022 0.003 0.0019 0.0084
ATGE_78 0.0215 0.0033 0.0014 0.0028 0.0073
ATGE_84 0.0018 0.0019 0.0234 0.0015 0.0071
ATGE_91 0.0016 0.002 0.0017 0.0018 0.0018
ATGE_92 0.0025 0.0361 0.0017 0.0016 0.0105
ATGE_93 0.0235 0.0165 0.019 0.0015 0.0151
ATGE_95 0.0388 0.0249 0.0289 0.018 0.0276
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 0.013 0.0015 0.0049
ATGE_99 0.0304 0.0155 0.0019 0.0181 0.0165
ATGE_101 0.0018 0.0015 0.0021 0.0018 0.0018
RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch