ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000973
RECORD_TITLE: 1,1,2,3,4,4-HEXACHLORO-1,3-BUTADIENE; 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$NAME: 1,1,2,3,4,4-HEXACHLORO-1,3-BUTADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄Cl₆
CH$EXACT_MASS: 257.81312
CH$SMILES: ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl
CH$IUPAC: InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10
CH$LINK: CAS 87-68-3
CH$LINK: INCHIKEY RWNKSTSCBHKHTB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020683

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$SPLASH: splash10-004i-3790000000-0aab7381eb2bf932ea24
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  47 13.1 131
  48 4 40
  49 6.6 66
  71 0.85 9
  73 4 40
  82 5.4 54
  83 19.1 191
  84 0.51 5
  85 7.7 77
  94 10.8 108
  95 6.6 66
  96 0.68 7
  106 6.6 66
  108 6 60
  117 2.8 28
  118 3.48 35
  119 4.3 43
  120 21.4 214
  121 2.3 23
  122 0.37 4
  129 3.1 31
  130 2.6 26
  131 2.6 26
  141 2.11 21
  143 21.9 219
  145 8.5 85
  153 16.2 162
  155 1.71 17
  157 5.4 54
  166 2.3 23
  188 37.9 379
  190 4.59 46
  191 2.8 28
  192 21.1 211
  194 4.6 46
  223 6.72 67
  224 3.1 31
  225 99.99 999
  226 4.3 43
  227 6.41 64
  228 3.1 31
  229 20.5 205
  231 3.7 37
  258 2.08 21
  260 33.6 336
  262 23.6 236
  264 10.8 108
  266 3.1 31
//