AtMetExpress Development LC-MS

Perk Nr:adp017283. Unknown PCE#1

Polarity: [POSITIVE]
Retention time: 3.39
m/z: 504
Annotation: Unknown PCE#1
Annotation level: Characterized
compound:
MS2Ts 6 MS2Ts
KNApSAcK C18H34N1O15(3):C12H23NO10+C6H10O5;
C21H26N7O8(3):C20H23N7O7+CH3O;
C25H30N1O10(3):C24H27NO9+CH3O; C19H19NO5+C6H10O5;
C21H34N3O9S1(2):C20H31N3O8S+CH3O;
C25H34N3O4S2(2):C25H33N3O3S2+O;
C32H42N1O4(1):Phomopsichalasin; C32H41NO4; C32H41NO5-O; C32H43NO
C15H22N1O14S2(1):C9H11NO9S2+C6H10O5;
C27H42N3O6(1):C27H41N3O5+O; ,
in-house MS/MS 1-ketoisocryptotanshinone(3)
Hinokitiol_Ramp5-45 V(2)
Solasodine_Ramp5-45 V(2)
N1-Acetylspermine Trihydrochloride_CE30(2)
alpha-Tocotrienol_Ramp5-45 V(2)
trans-2-Hexenal_Ramp5-45 V(2)
delta-Tocotrienol_Ramp5-45 V(2)
DL-3,4-Dihydroxymandelic acid _Ramp5-45 V(2)
4-Nitrophenol_Ramp5-45 V(2)
4-Hydroxybenzoate_Ramp5-45 V(2)
Calciferol_Ramp5-45 V(2)
Disodium Glycerophoshate 5.5-Hydrate_Ramp5-45 V(2)
(2R)-2-Hydroxy-2-phenethylglucosinolate_Ramp5-45 V(1)
Represetative peak This peak

eFP visualizaion


Raw chromatograms


MS2Ts

ATH07p07548

ATH08p08158

ATH13p09400

ATH62p06624

ATH63p09558

ATH63p10820

Peak intensity data

Sample 1 2 3 4 Average
ATGE_1 0.0296 0.0261 0.028 0.0219 0.0264
ATGE_7 0.0222 0.0258 0.0129 0.0014 0.0156
ATGE_9 0.0186 0.003 0.0023 0.002 0.0065
ATGE_10 0.0271 0.0268 0.0274 0.0232 0.0261
ATGE_12 0.0178 0.013 0.017 0.0229 0.0177
ATGE_13 0.021 0.0145 0.0154 0.0017 0.0132
ATGE_14 0.0122 0.0019 0.0228 0.0019 0.0097
ATGE_15 0.0014 0.0204 0.002 0.0021 0.0065
ATGE_16 0.0122 0.0018 0.0027 0.0017 0.0046
ATGE_19 0.0018 0.0037 0.0116 0.0082 0.0063
ATGE_20 0.0117 0.0144 0.0017 0.0135 0.0103
ATGE_21 0.0144 0.0021 0.0089 0.0096 0.0087
ATGE_25 0.0014 0.0018 0.0099 0.0023 0.0039
ATGE_26 0.0178 0.0028 0.002 0.0081 0.0077
ATGE_27 0.0149 0.0016 0.0015 0.0071 0.0063
ATGE_28 0.013 0.0018 0.0113 0.0015 0.0069
ATGE_29 0.0305 0.021 0.029 0.026 0.0266
ATGE_32 0.0018 0.0017 0.02 0.0242 0.0119
ATGE_33 0.0161 0.0018 0.002 0.0021 0.0055
ATGE_39 0.0024 0.003 0.0173 0.0017 0.0061
ATGE_41 0.0016 0.0085 0.0012 0.0012 0.0031
ATGE_42 0.0092 0.0014 0.0064 0.0019 0.0047
ATGE_45 0.0016 0.0107 0.0017 0.0018 0.004
ATGE_76 0.029 0.0017 0.0288 0.0188 0.0196
ATGE_77 0.0155 0.021 0.0243 0.0182 0.0198
ATGE_78 0.0123 0.0033 0.0014 0.0528 0.0175
ATGE_84 0.1019 0.2 0.1799 0.1578 0.1599
ATGE_91 0.0159 0.002 0.0124 0.0146 0.0112
ATGE_92 0.0255 0.0327 0.0249 0.0016 0.0212
ATGE_93 0.002 0.002 0.0021 0.0023 0.0021
ATGE_95 0.0021 0.0028 0.0153 0.014 0.0086
ATGE_96 0.0014 0.0017 0.0179 0.0015 0.0056
ATGE_97 0.0169 0.0021 0.0111 0.0159 0.0115
ATGE_98 0.025 0.0034 0.0286 0.0015 0.0146
ATGE_99 0.0257 0.033 0.0199 0.0267 0.0263
ATGE_101 0.0163 0.0193 0.0224 0.0209 0.0197
RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch