ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003827
RECORD_TITLE: 3-HYDROXY-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$NAME: 3-HYDROXY-2-CHLOROPROMAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H19ClN2OS
CH$EXACT_MASS: 334.09066
CH$SMILES: CN(C)CCCN(c21)c(c3)c(cc(O)c(Cl)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C17H19ClN2OS/c1-19(2)8-5-9-20-13-6-3-4-7-16(13)22-17-11-15(21)12(18)10-14(17)20/h3-4,6-7,10-11,21H,5,8-9H2,1-2H3
CH$LINK: INCHIKEY SOUCXKDIHOVGPW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90192544
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$SPLASH: splash10-0a4i-9000000000-a500f7a95d653d68eadc
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  41 2.9 29
  42 11.9 119
  43 2.9 29
  44 0.44 4
  55 0.9 9
  56 1.9 19
  57 1.4 14
  58 99.99 999
  59 4.9 49
  84 1.9 19
  85 0.9 9
  86 7.79 78
  87 4.9 49
  183 1.9 19
  184 3.9 39
  185 0.09 1
  186 1.9 19
  220 5.4 54
  221 0.9 9
  222 0.09 1
  248 2.9 29
  249 2.4 24
  250 1.4 14
  334 0.64 6
  335 0.9 9
  336 1.9 19
//
