MassBank Record: JP003079



 MECLIZINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //