ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002771
RECORD_TITLE: THIOPROPERAZINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: THIOPROPERAZINE
CH$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$LINK: INCHIKEY VZYCZNZBPPHOFY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1023655

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01vo-9411000000-e918c0715fd27f21a62f
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  41 22.9 229
  42 59.9 599
  43 86 860
  44 3.69 37
  55 10.9 109
  56 27.9 279
  57 18.9 189
  58 2.79 28
  70 99.99 999
  71 41.9 419
  72 6.9 69
  84 1.09 11
  85 14.9 149
  96 4.9 49
  97 13.9 139
  98 1.49 15
  99 9.9 99
  111 16.9 169
  113 99 990
  114 1.69 17
  127 56.9 569
  139 4.9 49
  141 25.9 259
  179 0.69 7
  180 4.9 49
  196 7.9 79
  197 10.9 109
  198 1.69 17
  199 4.9 49
  210 9.9 99
  211 14.9 149
  212 2.29 23
  214 3.9 39
  223 4.9 49
  224 5.9 59
  225 0.39 4
  237 1.9 19
  238 6.9 69
  239 2.9 29
  266 0.09 1
  267 0.9 9
  268 0.9 9
  287 1.9 19
  305 0.19 2
  306 2.9 29
  319 6.9 69
  320 15.9 159
  321 0.29 3
  332 5.9 59
  333 3.9 39
  338 4.9 49
  345 0.29 3
  346 2.9 29
  359 0.9 9
  375 4.9 49
  388 0.09 1
  400 0.9 9
  446 21.9 219
//