ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005776
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$SPLASH: splash10-014i-2019000000-54e008f9fc11d7f45b68
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  52 1.03 10
  57 1.58 16
  58 44.39 444
  60 2.25 23
  71 2.06 21
  72 3.69 37
  74 1.23 12
  84 1.84 18
  85 2.66 27
  86 31.41 314
  87 2.01 20
  111 1.03 10
  149 1.53 15
  198 1.75 18
  199 1.57 16
  200 1.51 15
  226 1.9 19
  233 3.23 32
  234 3.64 36
  235 1.87 19
  236 1.66 17
  240 1.01 10
  246 1.52 15
  248 2.77 28
  250 1 10
  262 1.17 12
  274 1.31 13
  276 1.25 13
  283 6.41 64
  284 6.01 60
  285 7.05 71
  286 1.79 18
  317 10.8 108
  318 67.76 678
  319 99.99 999
  320 45.13 451
  321 39.32 393
  322 8.72 87
  323 2.64 26
  347 9.89 99
  348 2.27 23
  349 3.66 37
//