ACCESSION: MSBNK-Waters-WA002833
RECORD_TITLE: 6-Acetylmorphine; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-004i-0698000000-5d0a83ca69369965e15a
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  105 8 8
  108 12 12
  117 8 8
  121 8 8
  132 8 8
  141 8 8
  144 12 12
  145 8 8
  146 16 16
  153 12 12
  155 12 12
  158 8 8
  159 8 8
  161 16 16
  162 8 8
  165 149 149
  166 24 24
  167 8 8
  173 16 16
  178 8 8
  179 16 16
  181 47 47
  183 106 106
  184 16 16
  185 16 16
  187 16 16
  191 86 86
  193 251 251
  194 35 35
  195 8 8
  197 12 12
  199 12 12
  201 51 51
  202 12 12
  203 12 12
  207 24 24
  209 94 94
  210 8 8
  211 443 443
  212 55 55
  213 8 8
  219 78 78
  220 12 12
  221 27 27
  222 20 20
  223 8 8
  225 20 20
  227 24 24
  229 43 43
  235 8 8
  237 51 51
  238 8 8
  239 31 31
  240 27 27
  250 8 8
  253 12 12
  255 16 16
  256 8 8
  268 153 153
  269 27 27
  284 12 12
  286 43 43
  287 8 8
  328 999 999
  329 180 180
  330 16 16
  346 16 16
//