AtMetExpress Development LC-MS

Perk Nr:adp009683.

Polarity: [POSITIVE]
Retention time: 3.72
m/z: 353
Annotation:
Annotation level: Unknown
compound:
MS2Ts 17 MS2Ts
KNApSAcK C14H25O8S1(7):C8H14O3S+C6H10O5;
C20H19N1O5(7):Berberastine; C20H18NO5; C20H18NO4+O;
C16H21N2O7(7):C10H10N2O2+C6H10O5;
C17H21O8(7):Bishopantholide; C17H20O8; C17H20O7+O; C17H20O9-O;
C18H25O5S1(6):C17H22O4S+CH3O;
C21H21O5(6):Demethylpraecanson B, Pongachalcone II, Citrunobin
C12H21N2O10(4):C6H10N2O5+C6H10O5;
C16H21N2O5S1(3):C16H20N2O6S-O;
C20H21N2O4(2):C19H18N2O3+CH3O;
C14H25O10(2):C8H14O5+C6H10O5;
C19H17N2O5(2):C18H14N2O4+CH3O; C19H18N2O6-H2O;
in-house MS/MS DL-3,4-Dihydroxymandelic acid _Ramp5-45 V(8)
delta-Tocotrienol_Ramp5-45 V(5)
4-Hydroxybenzoate_Ramp5-45 V(5)
Hinokitiol_Ramp5-45 V(4)
alpha-Tocotrienol_Ramp5-45 V(4)
Calciferol_Ramp5-45 V(4)
Solasodine_Ramp5-45 V(3)
N1-Acetylspermine Trihydrochloride_CE30(3)
Sinapoyl malate_Ramp5-45 V(3)
4-Nitrophenol_Ramp5-45 V(3)
Sinapic acid_CE20(2)
Sinapic acid_CE20(2)
Sinapic acid_CE20(2)
3,5-Dimethoxycinnamic acid (predominantly trans)_Ramp5-45 V(2)
2-O-Sinapoylmalate(2)
1-O-Sinapoylglucose(2)
Sinapic acid_Ramp5-45 V(2)
Disodium Glycerophoshate 5.5-Hydrate_Ramp5-45 V(2)
Represetative peak This peak

eFP visualizaion


Raw chromatograms


MS2Ts

ATH06p04700

ATH06p05285

ATH07p04564

ATH08p05349

ATH09p05315

ATH09p05316

ATH12p04579

ATH12p05371

ATH56p04973

ATH56p05197

ATH57p04565

ATH58p05427

ATH58p05855

ATH59p04633

ATH62p04976

ATH63p04642

ATH63p04930

Peak intensity data

Sample 1 2 3 4 Average
ATGE_1 0.0026 0.0015 0.0023 0.002 0.0021
ATGE_7 0.0019 0.0122 0.0019 0.0014 0.0043
ATGE_9 0.0021 0.002 0.0023 0.002 0.0021
ATGE_10 0.0077 0.0015 0.0014 0.0014 0.003
ATGE_12 0.0014 0.0017 0.002 0.0022 0.0018
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 0.012 0.0014 0.002 0.0021 0.0044
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 0.0088 0.0018 0.0036
ATGE_21 0.0019 0.0021 0.0017 0.0019 0.0019
ATGE_25 0.0022 0.0028 0.0099 0.0015 0.0041
ATGE_26 0.0019 0.0022 0.002 0.0016 0.0019
ATGE_27 0.0015 0.0072 0.0015 0.002 0.0031
ATGE_28 0.002 0.0018 0.0018 0.0015 0.0018
ATGE_29 0.0458 0.0355 0.0392 0.0358 0.0391
ATGE_32 0.01 0.0134 0.0138 0.0016 0.0097
ATGE_33 0.0135 0.0169 0.002 0.0021 0.0086
ATGE_39 0.0232 0.0183 0.0184 0.0122 0.018
ATGE_41 0.0024 0.0015 0.0018 0.0018 0.0019
ATGE_42 0.0018 0.0084 0.0042 0.0019 0.0041
ATGE_45 0.0318 0.036 0.0212 0.0218 0.0277
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 0.002 0.0033 0.0014 0.0614 0.017
ATGE_84 0.0018 0.0019 0.0016 0.0015 0.0017
ATGE_91 0.0393 0.019 0.0194 0.0266 0.0261
ATGE_92 0.0255 0.0241 0.0276 0.0405 0.0294
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 0.119 0.15 0.1789 0.1287 0.1442
ATGE_97 0.0178 0.0245 0.0172 0.0239 0.0208
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 0.0355 0.0108 0.0128 0.0246 0.0209
RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch