ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005765
RECORD_TITLE: THIOPROPERAZINE; 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$NAME: THIOPROPERAZINE
CH$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: 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$SPLASH: splash10-0229-6924100000-fcb76747a5faaee6b722
PK$NUM_PEAK: 107
PK$PEAK: m/z int. rel.int.
  55 1.1 11
  56 12.48 125
  57 7.42 74
  58 10.75 108
  59 2.13 21
  63 1.41 14
  64 1.5 15
  68 1.65 17
  69 2.86 29
  70 86.62 866
  71 32.98 330
  72 7.08 71
  77 1.08 11
  79 2.57 26
  80 1.9 19
  81 1.61 16
  82 3.42 34
  83 4.23 42
  84 8.63 86
  85 12.57 126
  86 1.75 18
  95 1.41 14
  96 4.12 41
  97 13.78 138
  98 13.36 134
  99 10.57 106
  100 1.62 16
  109 1.04 10
  111 10.11 101
  112 2.5 25
  113 99.99 999
  114 22.08 221
  115 1.82 18
  125 1.84 18
  126 3.29 33
  127 69.79 698
  128 6.73 67
  139 4.52 45
  140 2.94 29
  141 34.21 342
  142 3.26 33
  152 1.16 12
  153 2.31 23
  154 0.3 3
  166 1.44 14
  167 2.73 27
  170 1 10
  171 2.16 22
  172 1.25 13
  178 1.8 18
  179 4.74 47
  180 3.19 32
  184 1.12 11
  185 1.29 13
  191 1 10
  196 6.48 65
  197 11.57 116
  198 25.3 253
  199 9.74 97
  200 2.41 24
  209 1.28 13
  210 7.34 73
  211 10.18 102
  212 26.99 270
  213 4.7 47
  214 4.43 44
  222 2.34 23
  223 6.28 63
  224 6.76 68
  225 3.84 38
  226 1.84 18
  236 1.97 20
  237 2.91 29
  238 9.76 98
  239 3.54 35
  240 1.16 12
  266 1.49 15
  267 2.19 22
  268 2.19 22
  287 2.56 26
  305 2.63 26
  306 21.77 218
  307 4.38 44
  308 2.49 25
  319 10.91 109
  320 35.08 351
  321 7.39 74
  322 3.85 39
  332 10.97 110
  333 7.44 74
  334 2.6 26
  337 1.85 19
  338 15.95 160
  339 4.29 43
  340 1.3 13
  345 7.59 76
  346 6.37 64
  347 1.87 19
  359 1.67 17
  387 1.83 18
  389 4.27 43
  390 1.39 14
  402 2.6 26
  403 1.49 15
  446 33.81 338
  447 10.15 102
  448 4.98 50
//