ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003825
RECORD_TITLE: 3-ACETOXY-2-CHLOROPROMAZINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 3-ACETOXY-2-CHLOROPROMAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H21ClN2O2S
CH$EXACT_MASS: 376.10123
CH$SMILES: CN(C)CCCN(c21)c(c3)c(cc(OC(C)=O)c(Cl)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C19H21ClN2O2S/c1-13(23)24-17-12-19-16(11-14(17)20)22(10-6-9-21(2)3)15-7-4-5-8-18(15)25-19/h4-5,7-8,11-12H,6,9-10H2,1-3H3
CH$LINK: INCHIKEY AUESYCHQJPBGKQ-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9003000000-e96e80fe67591fd3af47
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  41 1.9 19
  42 11.9 119
  43 15.9 159
  44 0.29 3
  45 0.9 9
  56 1.4 14
  57 3.9 39
  58 99.99 999
  59 6.9 69
  84 5.9 59
  85 2.9 29
  86 0.86 9
  87 10.9 109
  185 1.9 19
  220 1.9 19
  221 0.19 2
  222 0.9 9
  223 0.9 9
  247 0.9 9
  248 0.59 6
  249 2.9 29
  250 1.4 14
  334 2.4 24
  336 0.09 1
  341 6.9 69
  342 2.9 29
  376 31.9 319
  377 0.69 7
  378 12.9 129
  379 1.9 19
//
