ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003071
RECORD_TITLE: HYDROXYZINE TRANQUIZINE; 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$NAME: HYDROXYZINE TRANQUIZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₇ClN₂O₂
CH$EXACT_MASS: 374.17611
CH$SMILES: OCCOCCN(C3)CCN(C3)C(c(c2)cccc2)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2
CH$LINK: INCHIKEY ZQDWXGKKHFNSQK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8023137

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$SPLASH: splash10-0udi-6491000000-95c46c16c2b29900f4d9
PK$NUM_PEAK: 193
PK$PEAK: m/z int. rel.int.
  26 0.8 8
  27 2.5 25
  28 8 80
  29 0.37 4
  30 3.1 31
  31 1.7 17
  32 1 10
  36 0.15 2
  38 0.7 7
  39 1.1 11
  41 2.5 25
  42 1.53 15
  43 4.2 42
  44 8.3 83
  45 24 240
  46 0.06 1
  50 0.1 1
  51 0.5 5
  52 0.2 2
  53 0.03 0
  54 1.8 18
  55 4.9 49
  56 17.9 179
  57 0.33 3
  58 14.9 149
  59 1 10
  63 0.7 7
  65 0.08 1
  66 0.1 1
  67 0.3 3
  68 1.8 18
  69 0.15 2
  70 4.9 49
  71 2.3 23
  72 4.8 48
  73 0.19 2
  74 0.8 8
  75 1.9 19
  76 0.1 1
  77 0.01 0
  78 0.1 1
  79 0.1 1
  80 0.3 3
  81 0.08 1
  82 1.6 16
  83 2 20
  84 3.6 36
  85 0.28 3
  86 1.8 18
  87 8.8 88
  88 0.9 9
  89 0.11 1
  90 0.2 2
  91 2.1 21
  92 0.3 3
  94 0.02 0
  96 0.1 1
  97 2.9 29
  98 4.9 49
  99 0.02 0
  100 1.6 16
  101 0.4 4
  102 0.4 4
  103 0.06 1
  104 0.6 6
  105 0.9 9
  109 0.3 3
  110 0.01 0
  111 4.1 41
  112 0.8 8
  113 0.8 8
  114 0.06 1
  115 1.4 14
  116 0.8 8
  117 0.5 5
  118 1.07 11
  119 1.1 11
  125 1.6 16
  126 0.3 3
  127 0.09 1
  128 0.3 3
  129 0.3 3
  130 1.9 19
  131 0.03 0
  132 16.3 163
  133 1.8 18
  134 0.3 3
  137 0.01 0
  138 0.6 6
  139 1.5 15
  140 0.7 7
  141 0.04 0
  143 0.4 4
  144 1.1 11
  145 0.2 2
  146 0.12 1
  147 0.1 1
  148 0.1 1
  149 0.1 1
  151 0.04 0
  152 0.9 9
  153 0.3 3
  159 1 10
  160 0.02 0
  162 0.2 2
  163 1.1 11
  164 1.9 19
  165 2.13 21
  166 22 220
  167 5.8 58
  168 1 10
  171 0.15 2
  172 1.1 11
  173 7 70
  174 1 10
  175 0.01 0
  177 0.1 1
  178 0.6 6
  179 0.8 8
  180 0.06 1
  181 0.1 1
  186 0.1 1
  187 0.3 3
  191 0.01 0
  192 0.3 3
  193 0.4 4
  194 0.2 2
  199 0.09 1
  200 0.3 3
  201 99.99 999
  202 16.1 161
  203 3.45 35
  204 5.5 55
  205 0.9 9
  206 1.1 11
  207 0.08 1
  208 0.1 1
  215 0.1 1
  216 1.5 15
  217 0.03 0
  218 0.8 8
  219 0.1 1
  227 0.1 1
  228 0.55 6
  229 8.5 85
  230 3.3 33
  231 3 30
  232 0.06 1
  240 1.9 19
  241 7.1 71
  242 10.8 108
  243 0.43 4
  244 3.9 39
  245 0.9 9
  254 0.1 1
  256 0.09 1
  257 0.3 3
  258 0.4 4
  263 0.2 2
  264 0.01 0
  271 2.9 29
  272 0.9 9
  273 1.1 11
  274 0.02 0
  283 0.7 7
  284 2.7 27
  285 2 20
  286 0.19 2
  287 1 10
  288 0.3 3
  297 0.4 4
  298 0.01 0
  299 20 200
  300 4.1 41
  301 7 70
  302 0.18 2
  303 0.1 1
  312 0.1 1
  313 0.9 9
  314 0.02 0
  315 0.8 8
  316 0.8 8
  343 1.4 14
  344 0.03 0
  345 0.4 4
  346 0.1 1
  372 0.1 1
  373 0.03 0
  374 5.6 56
  375 1.9 19
  376 2.3 23
  377 0.09 1
  378 0.1 1
//