ACCESSION: MSBNK-Waters-WA001090
RECORD_TITLE: Morphine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Morphine
CH$NAME: (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₉NO₃
CH$EXACT_MASS: 285.1364935
CH$SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
CH$IUPAC: InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
CH$LINK: CAS 57-27-2
CH$LINK: CHEBI 17303
CH$LINK: CHEMSPIDER 4450907
CH$LINK: COMPTOX DTXSID9023336
CH$LINK: INCHIKEY BQJCRHHNABKAKU-KBQPJGBKSA-N
CH$LINK: KEGG C01516
CH$LINK: PUBCHEM CID:5288826

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 3.350 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-100r-0910000000-0d9da0b416d19b64edde
PK$NUM_PEAK: 109
PK$PEAK: m/z int. rel.int.
  103 39 39
  105 86 86
  107 67 67
  114 43 43
  115 204 204
  116 20 20
  117 153 153
  118 20 20
  120 20 20
  121 27 27
  123 121 121
  127 31 31
  128 235 235
  129 188 188
  130 31 31
  131 118 118
  132 51 51
  133 31 31
  134 16 16
  135 16 16
  139 20 20
  140 20 20
  141 161 161
  142 24 24
  143 82 82
  144 82 82
  145 290 290
  146 24 24
  147 255 255
  148 24 24
  149 16 16
  151 16 16
  152 286 286
  153 999 999
  154 129 129
  155 439 439
  156 39 39
  157 548 548
  158 118 118
  159 35 35
  160 74 74
  161 59 59
  162 20 20
  165 658 658
  166 192 192
  167 51 51
  168 94 94
  169 133 133
  170 35 35
  171 270 270
  172 47 47
  173 165 165
  174 24 24
  176 16 16
  178 74 74
  179 86 86
  180 16 16
  181 752 752
  182 114 114
  183 196 196
  184 204 204
  185 290 290
  186 98 98
  187 51 51
  189 43 43
  190 74 74
  191 129 129
  192 20 20
  193 86 86
  194 90 90
  195 31 31
  197 74 74
  198 94 94
  199 129 129
  200 31 31
  201 153 153
  202 43 43
  203 12 12
  205 12 12
  206 16 16
  207 31 31
  208 12 12
  209 196 196
  210 47 47
  211 125 125
  212 31 31
  213 20 20
  214 12 12
  216 12 12
  218 24 24
  219 39 39
  220 12 12
  221 27 27
  222 27 27
  223 12 12
  224 12 12
  225 20 20
  226 16 16
  227 78 78
  228 16 16
  229 31 31
  235 12 12
  237 16 16
  238 12 12
  240 20 20
  268 12 12
  286 137 137
  287 24 24
  324 20 20
//