ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003826
RECORD_TITLE: 8-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$NAME: 8-ACETOXY-2-CHLOROPROMAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₁ClN₂O₂S
CH$EXACT_MASS: 376.10123
CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc(OC(C)=O)3)Sc(ccc(Cl)c2)1
CH$IUPAC: InChI=1S/C19H21ClN2O2S/c1-13(23)24-15-6-8-19-17(12-15)22(10-4-9-21(2)3)16-11-14(20)5-7-18(16)25-19/h5-8,11-12H,4,9-10H2,1-3H3
CH$LINK: INCHIKEY TZMZNKUSKYOABO-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$SPLASH: splash10-0a4i-9020000000-051c58eb52da51ed900f
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  41 0.9 9
  42 2.9 29
  43 6.9 69
  44 0.29 3
  45 0.9 9
  56 0.9 9
  57 1.9 19
  58 99.99 999
  84 2.4 24
  85 5.9 59
  86 26.9 269
  87 0.09 1
  219 1.9 19
  220 0.9 9
  248 5.4 54
  249 0.29 3
  250 1.9 19
  251 0.9 9
  262 2.4 24
  263 0.24 2
  288 4.9 49
  289 10.9 109
  290 3.9 39
  291 0.69 7
  292 0.4 4
  293 0.9 9
  376 4.9 49
  377 0.09 1
  378 1.9 19
//