MassBank Record: MPR02108



 Coptisine; LC-ESI-TOF; MS2; pos; NIB-0013 
Mass Spectrum
Chemical Structure


ACCESSION: MPR02108
RECORD_TITLE: Coptisine; LC-ESI-TOF; MS2; pos; NIB-0013
DATE: 2011.05.31 (Created 2015.10.23)
AUTHORS: Research Center for Medicinal Plant Resources, NIBIOHN
LICENSE: CC BY-SA
COPYRIGHT: Copyright (c) Research Center for Medicinal Plant Resources, NIBIOHN
COMMENT: NIB-0013
COMMENT: NIB-0013(+)coptisineMS2.jdx
COMMENT: OUREN

CH$NAME: Coptisine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C19H14NO4 CH$EXACT_MASS: 320.09228 CH$SMILES: C(O1)Oc(c2)c1cc(C6)c2c(c3)[n+1](C6)cc(c54)c(ccc(OCO5)4)3 CH$IUPAC: InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1 CH$LINK: KEGG C16938 CH$LINK: NIKKAJI J8.657F
AC$INSTRUMENT: QSTAR-XL, AB Sciex AC$INSTRUMENT_TYPE: LC-ESI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35V AC$MASS_SPECTROMETRY: COLLISION_GAS N2 AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 450 C AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 100 to 2000 AC$CHROMATOGRAPHY: COLUMN_NAME KANTO CHEMICAL Mightysil ODS (2.0 x 150 mm x 3um) AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C AC$CHROMATOGRAPHY: FLOW_GRADIENT B = 5 to 70 % (30 min) to 100 % (35 min) AC$CHROMATOGRAPHY: FLOW_RATE 0.2 mL/min AC$CHROMATOGRAPHY: SOLVENT A:0.1 % AcOH/H2O AC$CHROMATOGRAPHY: SOLVENT B:0.1 % AcOH/CH3CN
MS$FOCUSED_ION: PRECURSOR_M/Z 320 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
PK$NUM_PEAK: 100 PK$PEAK: m/z int. rel.int. 204.075 16.181 14 234.071 16.181 14 262.048 16.181 14 262.055 20.594 18 262.063 16.181 14 262.070 20.594 18 262.077 33.833 30 262.084 27.949 24 262.092 22.065 19 277.038 20.594 18 277.045 29.420 26 277.053 19.123 17 277.060 19.123 17 277.068 27.949 24 277.075 27.949 24 277.083 16.181 14 277.105 16.181 14 290.049 23.536 21 290.057 20.594 18 290.065 23.536 21 290.072 29.420 26 290.080 23.536 21 290.087 16.181 14 292.039 38.246 33 292.047 60.311 53 292.055 94.143 82 292.062 138.273 121 292.070 127.976 112 292.078 163.280 143 292.085 163.280 143 292.093 147.099 128 292.101 127.976 112 292.108 79.433 69 292.116 72.078 63 292.123 47.072 41 292.131 23.536 21 292.139 27.949 24 292.146 26.478 23 293.056 17.652 15 293.064 22.065 19 293.071 19.123 17 293.079 26.478 23 293.087 32.362 28 293.094 19.123 17 293.102 19.123 17 318.043 23.536 21 318.051 22.065 19 318.059 20.594 18 318.067 22.065 19 320.015 41.188 36 320.023 173.577 152 320.031 364.805 318 320.039 551.621 482 320.047 732.553 639 320.055 928.194 810 320.063 1142.959 998 320.071 1144.430 999 320.079 1103.242 963 320.087 851.703 743 320.095 572.215 500 320.103 329.502 288 320.111 220.648 193 320.119 147.099 128 320.127 116.208 101 320.135 75.020 65 320.143 73.549 64 320.151 52.956 46 320.159 39.717 35 320.167 36.775 32 320.175 47.072 41 320.183 27.949 24 320.191 17.652 15 320.199 26.478 23 321.023 17.652 15 321.031 58.840 51 321.039 107.382 94 321.047 122.092 107 321.055 188.287 164 321.063 269.191 235 321.071 261.836 229 321.079 267.720 234 321.087 205.938 180 321.095 169.164 148 321.103 182.403 159 321.111 79.433 69 321.119 72.078 63 321.127 48.543 42 321.135 48.543 42 321.143 33.833 30 321.151 19.123 17 321.159 19.123 17 322.049 19.123 17 322.057 22.065 19 322.065 23.536 21 322.073 25.007 22 322.081 29.420 26 322.089 25.007 22 322.097 20.594 18 322.105 25.007 22 322.113 20.594 18 //