AtMetExpress Development LC-MS

Perk Nr:adp010542.

Polarity: [POSITIVE]
Retention time: 6.07
m/z: 369
Annotation:
Annotation level: Unknown
compound:
MS2Ts 19 MS2Ts
KNApSAcK C20H19N1O6(13):C20H18NO5+O;
C17H21O9(13):2beta,3beta-Epoxybishopantholide; C17H20O9; C17H20
C24H17O4(9):C24H18O5-H2O;
C16H21N2O6S1(9):3-Indolylmethyldesulfoglucosinolate; C16H20N2O6S;
C19H17N2O6(7):C18H14N2O5+CH3O;
C14H25O7S2(5):C8H14O2S2+C6H10O5;
C21H21O6(4):5'-Demethoxydeoxypodophyllotoxin, Curcumin, 4'-Hyd
C16H21N2O4S2(4):C16H20N2O3S2+O; C15H18N2O3S2+CH3O;
C14H21N6O4S1(4):C14H20N6O5S-O;
C20H17O7(3):Averufin, Velloquercetin, Malaccol, 12a-Hydroxyero
C22H13N2O4(2):C22H14N2O5-H2O;
C10H18N4O9P1(2):C9H15N4O8P+CH3O; ,
in-house MS/MS Sinapic acid_CE20(8)
Sinapoyl malate_Ramp5-45 V(8)
2-O-Sinapoylmalate(8)
Sinapic acid_Ramp5-45 V(8)
Sinapic acid_CE20(7)
Sinapic acid_CE20(7)
1-O-Sinapoylglucose(7)
delta-Tocotrienol_Ramp5-45 V(6)
DL-3,4-Dihydroxymandelic acid _Ramp5-45 V(6)
Calciferol_Ramp5-45 V(5)
Hinokitiol_Ramp5-45 V(4)
alpha-Tocotrienol_Ramp5-45 V(4)
(+-)-alpha-Lipoic acid_CE10(4)
Ibuprofen_CE20(4)
Ibuprofen_CE10(4)
N1-Acetylspermine Trihydrochloride_CE30(3)
4-Hydroxybenzoate_Ramp5-45 V(3)
Methyl Jasmonate_CE20(3)
cerulenin_CE20(2)
Farnesol (mixture of isomers)_CE30(2)
Solasodine_Ramp5-45 V(2)
3,5-Dimethoxycinnamic acid (predominantly trans)_Ramp5-45 V(2)
(+-)-alpha-Tocopherol Acetateacid ester_CE30(2)
alpha-bisabolol_CE20(2)
cis-Nerolidol_CE30(2)
cis-Nerolidol_CE20(2)
Farnesol (mixture of isomers)_CE20(2)
Unknown PCE#5_phenolic choline(2)
alpha-bisabolol_CE30(2)
cerulenin_CE30(2)
Represetative peak This peak

eFP visualizaion


Raw chromatograms


MS2Ts

ATH07p05161

ATH08p04796

ATH11p04793

ATH11p05327

ATH12p05153

ATH13p05462

ATH13p05465

ATH13p06161

ATH13p06164

ATH56p05096

ATH58p06416

ATH61p06827

ATH61p07288

ATH63p05689

ATH63p05692

ATH63p06478

ATH63p06481

ATH64p05897

ATH64p06911

Peak intensity data

Sample 1 2 3 4 Average
ATGE_1 0.0026 0.0039 0.0015 0.002 0.0025
ATGE_7 0.0019 0.0013 0.0059 0.0014 0.0026
ATGE_9 0.0021 0.002 0.0023 0.002 0.0021
ATGE_10 0.0015 0.0015 0.0014 0.0014 0.0015
ATGE_12 0.0014 0.0017 0.002 0.0014 0.0016
ATGE_13 0.0015 0.0018 0.0022 0.0017 0.0018
ATGE_14 0.002 0.0049 0.0015 0.0019 0.0026
ATGE_15 0.0014 0.0014 0.002 0.0021 0.0017
ATGE_16 0.0018 0.0018 0.0027 0.0114 0.0044
ATGE_19 0.0018 0.0037 0.0019 0.0018 0.0023
ATGE_20 0.0019 0.0018 0.0017 0.0018 0.0018
ATGE_21 0.0019 0.0021 0.0017 0.0019 0.0019
ATGE_25 0.0022 0.0018 0.0073 0.003 0.0036
ATGE_26 0.0026 0.0028 0.002 0.0016 0.0022
ATGE_27 0.0015 0.0016 0.0015 0.002 0.0017
ATGE_28 0.002 0.0018 0.0018 0.0023 0.002
ATGE_29 0.0016 0.0022 0.0017 0.0016 0.0017
ATGE_32 0.0018 0.0017 0.0015 0.0016 0.0017
ATGE_33 0.0016 0.0018 0.002 0.0021 0.0019
ATGE_39 0.0016 0.002 0.0061 0.0017 0.0028
ATGE_41 0.0016 0.0015 0.0012 0.0012 0.0014
ATGE_42 0.0018 0.0014 0.0014 0.0019 0.0016
ATGE_45 0.0016 0.0015 0.0017 0.0018 0.0017
ATGE_76 0.0022 0.0017 0.0016 0.002 0.0019
ATGE_77 0.0017 0.0022 0.003 0.0019 0.0022
ATGE_78 0.002 0.005 0.0014 0.0028 0.0028
ATGE_84 0.0027 0.0346 0.0395 0.028 0.0262
ATGE_91 0.0477 0.0501 0.054 0.1478 0.0749
ATGE_92 0.0017 0.0017 0.0017 0.0016 0.0017
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 0.0014 0.0017 0.0341 0.0015 0.0097
ATGE_97 0.0016 0.0405 0.002 0.0269 0.0178
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 0.0236 0.0108 0.0267 0.0209 0.0205
RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch