AtMetExpress Development LC-MS

Perk Nr:adp009742.

Polarity: [POSITIVE]
Retention time: 4.17
m/z: 354
Annotation:
Annotation level: Unknown
compound:
MS2Ts 19 MS2Ts
KNApSAcK C16H20N1O8(13):C16H19NO7+O; C15H17NO7+CH3O; C10H9NO3+C6H10O5;
C13H24N1O6S2(5):C7H13NOS2+C6H10O5;
C12H20N1O11(5):C6H9NO6+C6H10O5;
C15H20N3O7(4):C14H17N3O6+CH3O;
C20H20N1O5(3):Parfumine, Protopine; C20H19NO5; C20H19NO4+O; C20H
C12H25N3O7P1(2):C11H22N3O6P+CH3O;
in-house MS/MS Sinapic acid_CE20(8)
Sinapic acid_CE20(8)
Sinapic acid_CE20(8)
Sinapoyl malate_Ramp5-45 V(8)
(+-)-alpha-Lipoic acid_CE10(8)
2-O-Sinapoylmalate(8)
1-O-Sinapoylglucose(8)
Ibuprofen_CE20(8)
Sinapic acid_Ramp5-45 V(8)
Methyl Jasmonate_CE20(8)
Ibuprofen_CE10(8)
(+-)-alpha-Tocopherol Acetateacid ester_CE30(7)
alpha-bisabolol_CE20(6)
cis-Nerolidol_CE30(6)
Farnesol (mixture of isomers)_CE20(6)
Unknown PCE#5_phenolic choline(6)
cerulenin_CE20(5)
delta-Tocotrienol_Ramp5-45 V(5)
DL-3,4-Dihydroxymandelic acid _Ramp5-45 V(5)
cerulenin_CE30(5)
cis-Nerolidol_CE20(4)
alpha-bisabolol_CE30(3)
Hinokitiol_Ramp5-45 V(2)
Farnesol (mixture of isomers)_CE30(2)
N1-Acetylspermine Trihydrochloride_CE30(2)
4-Hydroxybenzoate_Ramp5-45 V(2)
Calciferol_Ramp5-45 V(2)
Represetative peak This peak

eFP visualizaion


Raw chromatograms


MS2Ts

ATH08p05361

ATH09p04701

ATH09p05324

ATH10p05053

ATH11p04751

ATH11p05286

ATH12p04588

ATH12p05108

ATH14p06152

ATH56p04709

ATH56p05207

ATH57p04574

ATH58p05151

ATH59p04644

ATH61p06560

ATH61p07087

ATH62p04560

ATH63p04653

ATH63p05278

Peak intensity data

Sample 1 2 3 4 Average
ATGE_1 0.0026 0.011 0.014 0.0171 0.0112
ATGE_7 0.0106 0.0142 0.0119 0.0338 0.0176
ATGE_9 0.0021 0.0174 0.0023 0.0388 0.0151
ATGE_10 0.0131 0.0138 0.0014 0.0014 0.0074
ATGE_12 0.0014 0.0017 0.002 0.0014 0.0016
ATGE_13 0.009 0.0018 0.0022 0.0195 0.0081
ATGE_14 0.0081 0.0079 0.0015 0.0108 0.0071
ATGE_15 0.0289 0.0014 0.0123 0.0127 0.0138
ATGE_16 0.0198 0.0252 0.0152 0.0131 0.0183
ATGE_19 0.0109 0.0037 0.0164 0.0137 0.0112
ATGE_20 0.0136 0.0135 0.0204 0.0235 0.0177
ATGE_21 0.0019 0.013 0.0188 0.0192 0.0132
ATGE_25 0.0208 0.0197 0.0246 0.0216 0.0217
ATGE_26 0.0033 0.0372 0.0153 0.0147 0.0176
ATGE_27 0.0015 0.008 0.0071 0.0102 0.0067
ATGE_28 0.005 0.0018 0.0018 0.0015 0.0025
ATGE_29 0.0829 0.1065 0.0759 0.079 0.0861
ATGE_32 0.0781 0.0816 0.0763 0.0527 0.0722
ATGE_33 0.0458 0.0716 0.0557 0.0451 0.0545
ATGE_39 0.0514 0.0458 0.0541 0.0384 0.0474
ATGE_41 0.0016 0.0279 0.0299 0.0299 0.0223
ATGE_42 0.0083 0.0014 0.0064 0.0019 0.0045
ATGE_45 0.0402 0.0368 0.0247 0.0272 0.0322
ATGE_76 0.0119 0.0017 0.0312 0.0313 0.019
ATGE_77 0.0335 0.0244 0.0137 0.0288 0.0251
ATGE_78 0.0266 0.1228 0.0178 0.2314 0.0997
ATGE_84 0.009 0.0118 0.0016 0.0144 0.0092
ATGE_91 0.0577 0.044 0.0318 0.044 0.0444
ATGE_92 0.052 0.0508 0.0749 0.0835 0.0653
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 0.0315 0.0355 0.0368 0.0365 0.0351
ATGE_97 0.0212 0.0235 0.0223 0.0368 0.0259
ATGE_98 0.0015 0.0222 0.0016 0.0015 0.0067
ATGE_99 0.0019 0.0087 0.0089 0.0106 0.0075
ATGE_101 0.1156 0.0619 0.0598 0.1003 0.0844
RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch