ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005774
RECORD_TITLE: THIORIDAZINE; 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$NAME: THIORIDAZINE
CH$NAME: 10-(2-(1-METHYL-2-PIPERIZYL)ETHYL)-2-(METHYLTHIO)-10H-PHENOTHIAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₆N₂S₂
CH$EXACT_MASS: 370.15374
CH$SMILES: CSc(c4)cc(c(c4)1)N(CCC(C3)N(C)CCC3)c(c2)c(ccc2)S1
CH$IUPAC: InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
CH$LINK: CAS 50-52-2
CH$LINK: INCHIKEY KLBQZWRITKRQQV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023656

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$SPLASH: splash10-0002-9112000000-03a53f455eb75bee12b1
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  56 1.31 13
  68 1.19 12
  70 7.38 74
  84 1.05 11
  96 1.94 19
  97 1.82 18
  98 99.99 999
  99 7.92 79
  111 1.05 11
  112 1.21 12
  124 1.34 13
  125 0.49 5
  126 12.01 120
  127 1.11 11
  185 2.18 22
  186 0.1 1
  198 1.63 16
  210 1 10
  211 2.17 22
  212 1.29 13
  226 2.11 21
  230 1.04 10
  244 2.36 24
  245 4.02 40
  258 3.69 37
  259 2.42 24
  370 19.88 199
  371 5.21 52
  372 2.16 22
//