ACCESSION: MSBNK-Waters-WA002941
RECORD_TITLE: Ethylmorphine; 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$NAME: Ethylmorphine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₃NO₃
CH$EXACT_MASS: 313.16779
CH$SMILES: CCOc(c5)c(O4)c(c(c5)1)C(C2)(C34)C([H])(C=CC(O)3)C(N(C)C2)C1
CH$IUPAC: InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1
CH$LINK: CAS 76-58-4
CH$LINK: INCHIKEY OGDVEMNWJVYAJL-LEPYJNQMSA-N
CH$LINK: COMPTOX DTXSID1046760

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 10.940 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$SPLASH: splash10-03di-0983000000-41c213f73cc04e6d7aa5
PK$NUM_PEAK: 136
PK$PEAK: m/z int. rel.int.
  103 8 8
  105 8 8
  107 12 12
  108 27 27
  115 8 8
  117 20 20
  121 27 27
  123 51 51
  129 12 12
  131 16 16
  132 12 12
  133 12 12
  134 8 8
  135 8 8
  136 8 8
  141 24 24
  143 16 16
  144 35 35
  145 125 125
  146 35 35
  147 78 78
  148 8 8
  149 8 8
  151 24 24
  153 110 110
  154 8 8
  155 153 153
  156 12 12
  157 118 118
  158 20 20
  159 35 35
  160 20 20
  161 24 24
  162 27 27
  163 8 8
  165 231 231
  166 31 31
  167 24 24
  168 16 16
  169 27 27
  170 12 12
  171 51 51
  172 43 43
  173 161 161
  174 12 12
  175 86 86
  176 16 16
  177 20 20
  178 16 16
  179 27 27
  180 16 16
  181 219 219
  182 35 35
  183 376 376
  184 43 43
  185 192 192
  186 27 27
  187 39 39
  188 8 8
  189 43 43
  190 12 12
  191 71 71
  192 8 8
  193 141 141
  194 71 71
  195 27 27
  196 8 8
  197 39 39
  198 55 55
  199 106 106
  200 71 71
  201 313 313
  202 35 35
  203 24 24
  205 8 8
  206 20 20
  207 47 47
  208 8 8
  209 165 165
  210 63 63
  211 223 223
  212 24 24
  213 219 219
  214 47 47
  215 27 27
  216 24 24
  218 8 8
  219 43 43
  220 12 12
  221 55 55
  222 20 20
  223 31 31
  224 20 20
  225 27 27
  226 59 59
  227 172 172
  228 24 24
  229 321 321
  230 39 39
  234 12 12
  235 8 8
  236 35 35
  237 55 55
  238 24 24
  239 168 168
  240 31 31
  241 12 12
  242 8 8
  243 8 8
  249 8 8
  250 20 20
  251 8 8
  252 27 27
  253 16 16
  254 12 12
  255 98 98
  256 8 8
  257 137 137
  258 16 16
  265 8 8
  266 55 55
  267 71 71
  268 24 24
  270 12 12
  285 16 16
  286 8 8
  296 51 51
  312 16 16
  314 999 999
  315 208 208
  316 16 16
  331 8 8
  332 47 47
  336 24 24
  352 39 39
  355 12 12
//