ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005786
RECORD_TITLE: THIORIDAZINE; 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$NAME: THIORIDAZINE
CH$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: 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$SPLASH: splash10-00di-4539000000-9b298eff08d8aae4d50c
PK$NUM_PEAK: 132
PK$PEAK: m/z int. rel.int.
  51 1.95 20
  52 3.73 37
  58 2.95 30
  63 10.3 103
  68 1.73 17
  70 6.05 61
  77 6.35 64
  79 6.5 65
  82 2.65 27
  84 5.24 52
  89 1.55 16
  91 2.62 26
  93 2.47 25
  94 4.17 42
  96 9.9 99
  97 12 120
  98 66.75 668
  99 1.07 11
  100 4.5 45
  105 1.62 16
  106 1.21 12
  107 1.25 13
  108 1.88 19
  110 4.43 44
  111 6.31 63
  112 11.89 119
  113 1.07 11
  119 1.44 14
  120 1.95 20
  122 9.49 95
  123 11.56 116
  124 34.2 342
  125 10.67 107
  126 26.04 260
  127 2.21 22
  128 3.17 32
  134 1.4 14
  136 1.58 16
  138 3.87 39
  139 1.4 14
  140 3.98 40
  142 1.29 13
  148 1.4 14
  152 6.09 61
  153 3.06 31
  154 2.69 27
  156 1.25 13
  157 1.55 16
  162 1.07 11
  164 1.95 20
  166 1.84 18
  168 1.18 12
  170 1.51 15
  180 1.1 11
  182 1.32 13
  185 1.21 12
  196 1.21 12
  197 1.18 12
  198 1.36 14
  199 6.09 61
  200 5.2 52
  202 1.03 10
  212 1.55 16
  214 2.88 29
  215 1.66 17
  216 4.5 45
  218 1.77 18
  219 1.99 20
  225 1.4 14
  226 3.5 35
  227 1.4 14
  228 3.17 32
  230 2.03 20
  231 1.73 17
  233 1.21 12
  240 1.18 12
  241 1.55 16
  242 2.65 27
  243 1.07 11
  244 1.84 18
  245 10.78 108
  246 21.24 212
  247 3.91 39
  248 3.25 33
  256 1.32 13
  258 3.43 34
  260 4.21 42
  261 1.07 11
  262 2.06 21
  265 1.29 13
  270 1.29 13
  271 2.8 28
  272 7.42 74
  273 4.1 41
  274 8.01 80
  275 2.03 20
  276 1.14 11
  288 2.25 23
  290 1.07 11
  293 1.58 16
  294 1.4 14
  295 3.1 31
  300 1.69 17
  302 1.44 14
  323 3.5 35
  324 13.96 140
  325 21.61 216
  326 5.98 60
  327 2.65 27
  338 1.18 12
  339 2.95 30
  340 4.21 42
  341 9.97 100
  342 3.39 34
  343 1.73 17
  353 3.25 33
  355 1.69 17
  356 1.07 11
  367 1.44 14
  369 14.81 148
  370 50.38 504
  371 99.99 999
  372 26.26 263
  373 14.55 146
  374 3.47 35
  375 1.58 16
  384 1.4 14
  385 1.99 20
  386 1.14 11
  399 11.82 118
  400 3.98 40
  401 2.62 26
//