ACCESSION: MSBNK-Waters-WA002832
RECORD_TITLE: 6-Acetylmorphine; 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$NAME: 6-Acetylmorphine
CH$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 75 V

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

PK$SPLASH: splash10-02u3-0951000000-3e6a0ca292012523504a
PK$NUM_PEAK: 130
PK$PEAK: m/z int. rel.int.
  103 16 16
  105 47 47
  107 20 20
  108 39 39
  109 12 12
  110 8 8
  115 31 31
  117 71 71
  118 8 8
  119 8 8
  120 8 8
  121 51 51
  123 55 55
  124 8 8
  129 27 27
  131 31 31
  132 31 31
  133 16 16
  134 16 16
  135 12 12
  137 20 20
  141 78 78
  143 24 24
  144 35 35
  145 78 78
  146 51 51
  147 67 67
  148 12 12
  149 12 12
  152 20 20
  153 184 184
  154 24 24
  155 165 165
  156 16 16
  157 71 71
  158 27 27
  159 24 24
  160 24 24
  161 43 43
  162 27 27
  163 8 8
  165 999 999
  166 188 188
  167 51 51
  168 16 16
  169 67 67
  170 20 20
  171 47 47
  173 110 110
  174 16 16
  175 16 16
  176 12 12
  177 12 12
  178 71 71
  179 102 102
  181 466 466
  182 47 47
  183 411 411
  184 59 59
  185 133 133
  186 35 35
  187 55 55
  188 8 8
  189 24 24
  190 51 51
  191 396 396
  192 27 27
  193 627 627
  194 118 118
  195 43 43
  196 16 16
  197 63 63
  198 39 39
  199 82 82
  200 8 8
  201 235 235
  202 59 59
  203 27 27
  204 8 8
  205 12 12
  206 16 16
  207 78 78
  208 16 16
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  210 59 59
  211 760 760
  212 118 118
  213 31 31
  214 20 20
  215 8 8
  216 8 8
  218 24 24
  219 176 176
  220 35 35
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  223 16 16
  224 16 16
  225 51 51
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  228 20 20
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  230 8 8
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  235 24 24
  236 8 8
  237 114 114
  238 27 27
  239 47 47
  240 67 67
  241 12 12
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  251 12 12
  252 24 24
  253 39 39
  254 16 16
  255 27 27
  256 16 16
  258 8 8
  266 8 8
  268 168 168
  269 35 35
  284 12 12
  286 51 51
  328 568 568
  329 110 110
  330 8 8
  346 12 12
//