ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003848
RECORD_TITLE: 1-(4-CHLOROBENZYL)-2-PYRROLIDINOMETHYL-BENZIMIDAZOLE; 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$NAME: 1-(4-CHLOROBENZYL)-2-PYRROLIDINOMETHYL-BENZIMIDAZOLE
CH$NAME: CLEMIZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₀ClN₃
CH$EXACT_MASS: 325.13458
CH$SMILES: Clc(c4)ccc(c4)Cn(c(CN(C3)CCC3)1)c(c2)c(ccc2)n1
CH$IUPAC: InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
CH$LINK: INCHIKEY CJXAEXPPLWQRFR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0046939

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a59-4590000000-80e4b4bc418c0315bfdf
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  54 1.9 19
  55 11.9 119
  56 6.4 64
  57 1.59 16
  58 13.9 139
  59 6.1 61
  69 5.9 59
  70 0.89 9
  71 10.9 109
  75 2.4 24
  76 2.4 24
  77 0.81 8
  78 2.4 24
  81 2.4 24
  82 3.9 39
  83 0.49 5
  84 7.9 79
  85 5.9 59
  89 7.9 79
  90 0.54 5
  91 6.9 69
  124 0.9 9
  125 38.9 389
  126 0.49 5
  127 11.9 119
  128 1.9 19
  129 1.9 19
  130 0.19 2
  131 70.9 709
  132 10.9 109
  133 1.9 19
  134 0.14 1
  216 0.9 9
  217 2.4 24
  218 6.4 64
  219 0.44 4
  220 3.9 39
  221 2.4 24
  222 0.9 9
  238 0.09 1
  239 1.4 14
  240 7.4 74
  241 1.9 19
  242 0.34 3
  243 0.9 9
  251 0.9 9
  252 4.4 44
  253 0.64 6
  254 53.9 539
  255 99.99 999
  256 31.9 319
  257 3.54 35
  258 6.1 61
  259 1.4 14
  325 1.4 14
//