ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000959
RECORD_TITLE: 3,3'-DICHLOROBENZIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 3,3'-DICHLOROBENZIDINE
CH$NAME: 4,4'-DIAMINO-3,3'-DICHLOROBIPHENYL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀Cl₂N₂
CH$EXACT_MASS: 252.02210
CH$SMILES: Nc(c2)c(Cl)cc(c2)c(c1)cc(Cl)c(N)c1
CH$IUPAC: InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
CH$LINK: CAS 91-94-1
CH$LINK: INCHIKEY HUWXDEQWWKGHRV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6020432

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0udi-2490000000-f4b5d329208c866ae89e
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  50 2.6 26
  51 3.5 35
  52 4.1 41
  54 0.2 2
  55 2.6 26
  62 2.3 23
  63 7.6 76
  64 0.23 2
  65 2.6 26
  73 2.3 23
  74 3.5 35
  75 0.47 5
  76 5 50
  77 9.6 96
  78 2 20
  82 0.23 2
  87 2.3 23
  89 2.3 23
  90 3.5 35
  91 1.26 13
  94 2.3 23
  95 2.6 26
  98 2.3 23
  99 0.23 2
  100 2.3 23
  101 3.8 38
  102 2.9 29
  108 0.56 6
  109 3.8 38
  117 4.4 44
  125 2.6 26
  126 1.73 17
  127 15.5 155
  128 4.7 47
  129 2 20
  130 0.2 2
  131 2 20
  151 2.3 23
  152 4.4 44
  153 0.47 5
  154 13.7 137
  155 4.1 41
  164 4.4 44
  165 0.23 2
  179 2.6 26
  181 10.8 108
  182 9.9 99
  183 0.23 2
  188 2.9 29
  190 4.1 41
  215 5 50
  216 0.58 6
  217 4.7 47
  224 2.3 23
  226 2 20
  251 0.61 6
  252 99.99 999
  253 17.8 178
  254 59.1 591
  255 0.88 9
  256 9.6 96
//