ACCESSION: MSBNK-Waters-WA002834
RECORD_TITLE: 6-Acetylmorphine; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-004i-0019000000-ba2eae24567b8f8bf805
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  193 16 16
  209 8 8
  211 55 55
  212 8 8
  219 12 12
  237 8 8
  268 39 39
  269 8 8
  286 12 12
  328 999 999
  329 172 172
  330 20 20
  346 16 16
//