ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005788
RECORD_TITLE: CHLORPROMAZINE; CI-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: INCHIKEY ZPEIMTDSQAKGNT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0022808

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-000i-9070000000-9bbe6c5123c891b9489b
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  35 99.99 999
  37 36.77 368
  71 1.13 11
  73 1.58 16
  232 2.57 26
  233 11.61 116
  234 7.11 71
  235 5.19 52
  236 2.19 22
  237 1.22 12
  245 3.98 40
  246 1.42 14
  247 8.25 83
  248 2.81 28
  249 3.76 38
  261 2.54 25
  263 1 10
  268 21.23 212
  269 3.61 36
  270 15.09 151
  271 3.24 32
  272 3.26 33
  273 5.67 57
  274 1.67 17
  275 2.81 28
  281 1.25 13
  285 1.03 10
  317 1.83 18
  319 2.97 30
  320 1.24 12
  321 1.38 14
  332 1.01 10
//