ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003828
RECORD_TITLE: 8-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$NAME: 8-HYDROXY-2-CHLOROPROMAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₉ClN₂OS
CH$EXACT_MASS: 334.09066
CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(ccc(O)c2)1
CH$IUPAC: InChI=1S/C17H19ClN2OS/c1-19(2)8-3-9-20-14-10-12(18)4-6-16(14)22-17-7-5-13(21)11-15(17)20/h4-7,10-11,21H,3,8-9H2,1-2H3
CH$LINK: INCHIKEY UBUDVAYGFVRZCO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00192510

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$SPLASH: splash10-0a4i-9022000000-e5edf85cbfa7f9098694
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  41 3.9 39
  42 17.9 179
  43 6.4 64
  44 0.99 10
  45 0.9 9
  55 0.9 9
  56 2.9 29
  57 0.49 5
  58 99.99 999
  84 5.9 59
  85 10.9 109
  86 4.49 45
  87 2.9 29
  183 1.9 19
  184 2.4 24
  185 0.29 3
  186 0.9 9
  187 0.9 9
  219 1.9 19
  220 0.19 2
  221 0.9 9
  222 0.9 9
  243 9.4 94
  244 0.64 6
  245 3.9 39
  246 2.9 29
  262 3.9 39
  263 0.29 3
  264 1.9 19
  288 6.9 69
  289 6.4 64
  290 0.49 5
  291 1.9 19
  334 27.9 279
  335 5.9 59
  336 1.09 11
  337 1.9 19
//