ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005762
RECORD_TITLE: CHLORPROMAZINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: CHLORPROMAZINE
CH$NAME: 2-CHLORO-N,N-DIMETHYL-10H-PHENOTHIAZINE-10-PROPANAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₉ClN₂S
CH$EXACT_MASS: 318.09575
CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
CH$LINK: CAS 50-53-3
CH$LINK: INCHIKEY ZPEIMTDSQAKGNT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0022808

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a4r-9053000000-9e1cc1d4fc6be5bc73b8
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  56 1.68 17
  57 2.56 26
  58 99.99 999
  59 0.64 6
  63 1.41 14
  69 2.11 21
  70 4.28 43
  71 2.73 27
  72 4.34 43
  75 1 10
  77 1.28 13
  84 4.68 47
  85 17.68 177
  86 41.51 415
  87 2.63 26
  139 0.12 1
  152 1.63 16
  153 1.54 15
  164 1.11 11
  188 1.39 14
  196 2.95 30
  197 3.08 31
  198 3.17 32
  200 1.26 13
  201 1.39 14
  210 1.05 11
  211 1.37 14
  212 1.33 13
  213 1.27 13
  214 5.23 52
  215 1.01 10
  216 1.77 18
  223 2.43 24
  224 1.08 11
  225 1.06 11
  232 8.26 83
  233 11.64 116
  234 4.87 49
  235 4.32 43
  236 1.01 10
  238 1.26 13
  244 1.09 11
  246 4.33 43
  247 4.01 40
  248 2.11 21
  249 1.43 14
  258 2.12 21
  259 3.91 39
  260 2.06 21
  261 1.51 15
  272 15.1 151
  273 8.35 84
  274 7.04 70
  275 3.14 31
  318 38.93 389
  319 7.98 80
  320 14.07 141
  321 2.95 30
//