ACCESSION: MSBNK-Waters-WA001091
RECORD_TITLE: Morphine; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-0pc9-0930000000-1b4b449001a79db47954
PK$NUM_PEAK: 131
PK$PEAK: m/z int. rel.int.
  100 12 12
  103 35 35
  105 59 59
  107 106 106
  108 43 43
  109 20 20
  110 31 31
  114 125 125
  115 98 98
  117 172 172
  118 20 20
  120 20 20
  121 102 102
  123 231 231
  124 24 24
  127 24 24
  128 67 67
  129 90 90
  131 106 106
  132 63 63
  133 51 51
  134 31 31
  135 31 31
  136 12 12
  140 12 12
  141 129 129
  142 24 24
  143 102 102
  144 67 67
  145 498 498
  146 55 55
  147 427 427
  148 35 35
  149 31 31
  150 16 16
  152 43 43
  153 733 733
  154 78 78
  155 764 764
  156 39 39
  157 607 607
  158 118 118
  159 74 74
  160 118 118
  161 114 114
  162 63 63
  163 27 27
  164 12 12
  165 893 893
  166 223 223
  167 71 71
  168 74 74
  169 149 149
  170 16 16
  171 290 290
  172 27 27
  173 537 537
  174 71 71
  175 43 43
  176 31 31
  178 106 106
  179 129 129
  181 960 960
  182 110 110
  183 791 791
  184 176 176
  185 831 831
  186 165 165
  187 149 149
  188 31 31
  189 43 43
  190 43 43
  191 270 270
  192 24 24
  193 317 317
  194 125 125
  195 59 59
  196 12 12
  197 86 86
  198 114 114
  199 321 321
  200 35 35
  201 995 995
  202 125 125
  203 43 43
  204 16 16
  205 16 16
  206 27 27
  207 82 82
  209 639 639
  210 74 74
  211 588 588
  212 86 86
  213 47 47
  214 27 27
  215 24 24
  216 27 27
  218 35 35
  219 141 141
  220 24 24
  221 102 102
  222 78 78
  223 24 24
  224 24 24
  225 59 59
  226 20 20
  227 302 302
  228 20 20
  229 309 309
  230 39 39
  235 16 16
  236 12 12
  237 86 86
  238 20 20
  239 43 43
  240 51 51
  241 12 12
  243 12 12
  250 16 16
  252 24 24
  253 39 39
  255 12 12
  256 16 16
  268 102 102
  284 12 12
  286 999 999
  287 172 172
  288 16 16
  304 20 20
  308 12 12
  324 24 24
//