MassBank Record: MPR02108
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Coptisine; LC-ESI-TOF; MS2; pos; NIB-0013
Mass Spectrum
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Chemical Structure

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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
//