Polarity: | [POSITIVE] |
Retention time: | 3.6 |
m/z: | 353 |
Annotation: | |
Annotation level: | Unknown |
compound: | |
MS2Ts | 19 MS2Ts |
KNApSAcK |
C18H25O5S1(9):C17H22O4S+CH3O; C14H25O8S1(9):C8H14O3S+C6H10O5; C21H21O5(9):Demethylpraecanson B, Pongachalcone II, Citrunobin C20H19N1O5(8):Berberastine; C20H18NO5; C20H18NO4+O; C17H21O8(7):Bishopantholide; C17H20O8; C17H20O7+O; C17H20O9-O; C14H25O10(4):C8H14O5+C6H10O5; C12H21N2O10(4):C6H10N2O5+C6H10O5; C16H21N2O5S1(3):C16H20N2O6S-O; C20H21N2O4(2):C19H18N2O3+CH3O; C19H17N2O5(2):C18H14N2O4+CH3O; C19H18N2O6-H2O; |
in-house MS/MS |
DL-3,4-Dihydroxymandelic acid _Ramp5-45 V(9) delta-Tocotrienol_Ramp5-45 V(6) 4-Hydroxybenzoate_Ramp5-45 V(6) Hinokitiol_Ramp5-45 V(5) Sinapoyl malate_Ramp5-45 V(5) alpha-Tocotrienol_Ramp5-45 V(5) Calciferol_Ramp5-45 V(5) Sinapic acid_CE20(4) Sinapic acid_CE20(4) Solasodine_Ramp5-45 V(4) Sinapic acid_CE20(4) N1-Acetylspermine Trihydrochloride_CE30(4) 2-O-Sinapoylmalate(4) 1-O-Sinapoylglucose(4) 4-Nitrophenol_Ramp5-45 V(4) (+-)-alpha-Tocopherol Acetateacid ester_CE30(3) alpha-bisabolol_CE20(3) cis-Nerolidol_CE30(3) (+-)-alpha-Lipoic acid_CE10(3) Farnesol (mixture of isomers)_CE20(3) Unknown PCE#5_phenolic choline(3) Sinapic acid_Ramp5-45 V(3) Ibuprofen_CE20(3) Methyl Jasmonate_CE20(3) Disodium Glycerophoshate 5.5-Hydrate_Ramp5-45 V(3) Ibuprofen_CE10(3) cerulenin_CE20(2) Farnesol (mixture of isomers)_CE30(2) 3,5-Dimethoxycinnamic acid (predominantly trans)_Ramp5-45 V(2) cis-Nerolidol_CE20(2) alpha-bisabolol_CE30(2) cerulenin_CE30(2) |
Represetative peak | This peak |
Sample | 1 | 2 | 3 | 4 | Average |
ATGE_1 | 0.0026 | 0.0063 | 0.0023 | 0.002 | 0.0033 |
ATGE_7 | 0.0019 | 0.0088 | 0.0019 | 0.0014 | 0.0035 |
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 | 0.0022 | 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 | 0.007 | 0.0014 | 0.002 | 0.0021 | 0.0031 |
ATGE_16 | 0.0018 | 0.0018 | 0.0027 | 0.0017 | 0.002 |
ATGE_19 | 0.0063 | 0.0037 | 0.0019 | 0.0018 | 0.0034 |
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 | 0.0028 | 0.0046 | 0.0015 | 0.0028 |
ATGE_26 | 0.0019 | 0.0022 | 0.002 | 0.0016 | 0.0019 |
ATGE_27 | 0.0015 | 0.0016 | 0.0015 | 0.002 | 0.0017 |
ATGE_28 | 0.002 | 0.0018 | 0.0018 | 0.0015 | 0.0018 |
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 | 0.0024 | 0.002 | 0.002 | 0.0017 | 0.002 |
ATGE_41 | 0.0024 | 0.0015 | 0.0018 | 0.0018 | 0.0019 |
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 | 0.0201 | 0.0017 | 0.0176 | 0.002 | 0.0103 |
ATGE_77 | 0.0198 | 0.0022 | 0.003 | 0.0019 | 0.0067 |
ATGE_78 | 0.002 | 0.0033 | 0.0014 | 0.0257 | 0.0081 |
ATGE_84 | 0.0018 | 0.0019 | 0.0016 | 0.0015 | 0.0017 |
ATGE_91 | 0.0184 | 0.012 | 0.0079 | 0.0091 | 0.0119 |
ATGE_92 | 0.0017 | 0.0103 | 0.0017 | 0.0244 | 0.0095 |
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 | 0.0925 | 0.1207 | 0.1258 | 0.089 | 0.107 |
ATGE_97 | 0.0016 | 0.0021 | 0.002 | 0.0019 | 0.0019 |
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 | 0.0018 | 0.0015 | 0.0021 | 0.0018 | 0.0018 |