ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005779
RECORD_TITLE: THIOPROPERAZINE; 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$NAME: THIOPROPERAZINE
CH$NAME: N,N-DIMETHYL-10-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)-10H-PHENOTHIAZINE-2-SULFONAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₀N₄O₂S₂
CH$EXACT_MASS: 446.18102
CH$SMILES: CN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc3S(=O)(=O)N(C)C)Sc(cccc2)1
CH$IUPAC: InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3
CH$LINK: CAS 316-81-4
CH$LINK: INCHIKEY VZYCZNZBPPHOFY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1023655

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$SPLASH: splash10-0002-1001900000-0b26a1120865f1ac9f3a
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  58 1.38 14
  64 1.97 20
  70 1.29 13
  72 1.17 12
  74 2.98 30
  97 14.47 145
  99 1.93 19
  101 2.1 21
  113 3.48 35
  127 1.98 20
  141 2.42 24
  198 1.08 11
  199 1.1 11
  200 1.38 14
  306 1.42 14
  307 4.46 45
  320 1.01 10
  338 2.73 27
  339 4.6 46
  340 6.84 68
  341 1.82 18
  370 1.22 12
  371 2.4 24
  372 4.88 49
  373 1.47 15
  385 1.02 10
  386 1.93 19
  402 1.07 11
  445 14.38 144
  446 23.37 234
  447 99.99 999
  448 30.28 303
  449 14.6 146
  461 1.19 12
  475 15.31 153
  476 4.52 45
  477 2.27 23
  487 2.17 22
//