ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003079
RECORD_TITLE: MECLIZINE; 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$NAME: MECLIZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₂₇ClN₂
CH$EXACT_MASS: 390.18628
CH$SMILES: Cc(c4)cc(cc4)CN(C3)CCN(C3)C(c(c2)cccc2)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3
CH$LINK: INCHIKEY OCJYIGYOJCODJL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023242

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$SPLASH: splash10-052r-1920000000-da1d25573308648315fa
PK$NUM_PEAK: 125
PK$PEAK: m/z int. rel.int.
  53 0.9 9
  54 1.9 19
  55 2.9 29
  56 0.49 5
  57 1.9 19
  58 1.9 19
  70 1.9 19
  71 0.09 1
  72 4.9 49
  73 0.9 9
  75 1.4 14
  76 0.09 1
  77 6.4 64
  78 2.9 29
  79 6.4 64
  80 0.14 1
  83 2.4 24
  84 1.9 19
  85 0.9 9
  89 0.19 2
  90 0.4 4
  91 4.9 49
  92 0.9 9
  102 0.09 1
  103 4.9 49
  104 3.9 39
  105 84 840
  106 0.89 9
  107 1.4 14
  108 0.9 9
  116 1.4 14
  117 0.09 1
  118 1.9 19
  119 2.9 29
  120 1.9 19
  121 0.09 1
  125 1.9 19
  126 0.9 9
  127 1.4 14
  128 0.09 1
  129 0.4 4
  130 0.9 9
  131 0.9 9
  132 0.29 3
  133 1.4 14
  134 9.4 94
  135 1.4 14
  138 0.09 1
  139 1.9 19
  140 0.9 9
  144 0.9 9
  145 0.09 1
  146 6.9 69
  147 5.9 59
  148 7.4 74
  149 0.19 2
  150 0.9 9
  159 0.4 4
  160 2.9 29
  161 0.09 1
  162 8.4 84
  163 2.9 29
  164 2.9 29
  165 2.09 21
  166 17.4 174
  167 4.4 44
  168 0.9 9
  169 0.04 0
  173 0.9 9
  174 1.9 19
  175 1.9 19
  176 0.04 0
  180 0.9 9
  181 0.4 4
  182 0.9 9
  187 0.14 1
  188 1.4 14
  189 99.99 999
  190 14.4 144
  191 0.14 1
  192 0.4 4
  199 1.4 14
  200 0.9 9
  201 2.04 20
  202 3.9 39
  203 7.4 74
  204 1.9 19
  205 0.04 0
  206 1.1 11
  216 3.1 31
  217 0.9 9
  218 0.19 2
  227 0.9 9
  228 1.1 11
  229 5.9 59
  230 0.69 7
  231 3.4 34
  232 2.4 24
  233 0.9 9
  239 0.09 1
  240 1.9 19
  241 2.9 29
  242 6.4 64
  243 0.34 3
  244 3.4 34
  245 1.4 14
  246 0.9 9
  256 0.14 1
  257 0.4 4
  258 0.9 9
  279 0.9 9
  280 0.04 0
  285 17.4 174
  286 3.9 39
  287 6.4 64
  288 0.19 2
  312 0.9 9
  313 1.4 14
  314 0.9 9
  389 0.04 0
  390 17.4 174
  391 5.9 59
  392 6.4 64
  393 0.19 2
  394 0.9 9
//