ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003068
RECORD_TITLE: PERAZIL CHLORCYCLIZINE; 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$NAME: PERAZIL CHLORCYCLIZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₁ClN₂
CH$EXACT_MASS: 300.13933
CH$SMILES: CN(C3)CCN(C3)C(c(c2)cccc2)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3
CH$LINK: INCHIKEY WFNAKBGANONZEQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9048011

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$SPLASH: splash10-006t-9261000000-d789fa33e2113c522133
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  53 0.2 2
  54 0.9 9
  55 2.3 23
  56 5.19 52
  57 8.9 89
  58 14.9 149
  59 2 20
  60 0.01 0
  61 0.2 2
  67 0.1 1
  68 0.9 9
  69 0.23 2
  70 15.9 159
  71 4.9 49
  72 38.9 389
  73 0.23 2
  74 1 10
  75 0.7 7
  79 1.3 13
  80 0.69 7
  81 2 20
  82 1.8 18
  83 0.4 4
  84 0.01 0
  90 0.3 3
  91 3.9 39
  92 1.3 13
  93 0.02 0
  97 0.3 3
  98 2.3 23
  99 99.99 999
  100 0.79 8
  101 1.3 13
  102 0.1 1
  161 0.3 3
  162 0.11 1
  163 2.9 29
  164 3.9 39
  165 30.9 309
  166 2.09 21
  167 8.9 89
  168 2.3 23
  169 1.8 18
  170 0.01 0
  199 0.1 1
  200 1.3 13
  201 16.9 169
  202 0.44 4
  203 7.4 74
  204 1.9 19
  205 1.1 11
  206 0.49 5
  228 23.9 239
  229 23.4 234
  230 11.9 119
  231 0.99 10
  232 3.3 33
  233 1.1 11
  234 0.2 2
  238 0.07 1
  239 1.1 11
  240 6.9 69
  241 21.9 219
  242 2.24 22
  243 10.9 109
  244 6.9 69
  245 1.9 19
  246 0.01 0
  256 2.9 29
  257 0.1 1
  258 0.4 4
  293 0.03 0
  299 2 20
  300 27.9 279
  301 6.9 69
  302 0.99 10
  303 1.9 19
  304 0.3 3
//