ACCESSION: MSBNK-Waters-WA002831
RECORD_TITLE: 6-Acetylmorphine; 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$NAME: 6-Acetylmorphine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₁NO₄
CH$EXACT_MASS: 327.14706
CH$SMILES: CC(=O)OC(C=5)C(O2)C(C4)(c13)C([H])(C5)C(N(C)C4)Cc(ccc(O)c23)1
CH$IUPAC: InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
CH$LINK: CAS 2784-73-8
CH$LINK: INCHIKEY JJGYGPZNTOPXGV-SSTWWWIQSA-N
CH$LINK: COMPTOX DTXSID60182154

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 10.000 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$SPLASH: splash10-0159-0920000000-614c36513bef758ab00f
PK$NUM_PEAK: 124
PK$PEAK: m/z int. rel.int.
  103 35 35
  105 59 59
  107 39 39
  108 20 20
  115 90 90
  117 102 102
  118 8 8
  119 16 16
  120 12 12
  121 35 35
  123 59 59
  124 8 8
  127 8 8
  128 51 51
  129 67 67
  130 8 8
  131 51 51
  132 39 39
  133 27 27
  134 8 8
  135 12 12
  137 8 8
  139 8 8
  141 125 125
  142 16 16
  143 43 43
  144 43 43
  145 114 114
  146 35 35
  147 94 94
  148 8 8
  151 8 8
  152 133 133
  153 545 545
  154 74 74
  155 231 231
  156 16 16
  157 180 180
  158 39 39
  159 24 24
  160 35 35
  161 35 35
  162 20 20
  163 8 8
  164 8 8
  165 999 999
  166 235 235
  167 63 63
  168 63 63
  169 98 98
  170 31 31
  171 98 98
  172 8 8
  173 94 94
  174 8 8
  175 12 12
  176 16 16
  177 12 12
  178 94 94
  179 114 114
  180 12 12
  181 701 701
  182 102 102
  183 231 231
  184 78 78
  185 137 137
  186 35 35
  187 31 31
  189 74 74
  190 125 125
  191 286 286
  192 35 35
  193 215 215
  194 118 118
  195 35 35
  196 20 20
  197 67 67
  198 55 55
  199 78 78
  200 16 16
  201 118 118
  202 47 47
  203 20 20
  204 8 8
  205 16 16
  206 24 24
  207 55 55
  208 24 24
  209 345 345
  210 63 63
  211 239 239
  212 43 43
  213 27 27
  214 16 16
  218 31 31
  219 82 82
  220 20 20
  221 43 43
  222 59 59
  223 16 16
  224 16 16
  225 31 31
  226 24 24
  227 90 90
  228 20 20
  229 27 27
  234 12 12
  235 12 12
  236 12 12
  237 47 47
  238 16 16
  239 12 12
  240 35 35
  248 8 8
  250 12 12
  252 24 24
  253 12 12
  254 12 12
  266 8 8
  268 39 39
  269 8 8
  286 12 12
  328 133 133
  329 24 24
//