ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000974
RECORD_TITLE: 1,2,3,4,5,5-HEXACHLORO-1,3-CYCLOPENTADIENE; 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$NAME: 1,2,3,4,5,5-HEXACHLORO-1,3-CYCLOPENTADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅Cl₆
CH$EXACT_MASS: 269.81312
CH$SMILES: ClC(C(Cl)=1)=C(Cl)C(Cl)(Cl)C(Cl)1
CH$IUPAC: InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8
CH$LINK: CAS 77-47-4
CH$LINK: INCHIKEY VUNCWTMEJYMOOR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020688

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$SPLASH: splash10-000i-2290000000-54dcd500e27687551135
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  47 7.3 73
  49 3.3 33
  59 3.3 33
  60 1.69 17
  61 4.6 46
  65 5.9 59
  66 5.3 53
  71 0.75 8
  83 6.8 68
  84 2.6 26
  85 3.1 31
  94 0.29 3
  95 28.4 284
  96 5.1 51
  97 9 90
  100 0.44 4
  101 6.2 62
  102 2.9 29
  106 7 70
  108 0.46 5
  117 10.5 105
  119 13.8 138
  121 4.4 44
  130 2.26 23
  131 3.1 31
  132 12.7 127
  134 2.4 24
  141 1.38 14
  143 14.5 145
  145 4.2 42
  165 14.5 145
  167 1.34 13
  169 5.9 59
  201 8.4 84
  202 2.2 22
  203 1.21 12
  205 6.2 62
  207 2.4 24
  235 73 730
  236 0.51 5
  237 99.99 999
  238 9.2 92
  239 69.7 697
  240 0.53 5
  241 22.2 222
  242 2.2 22
  243 3.3 33
  270 0.97 10
  272 17.8 178
  274 12.5 125
  276 5.9 59
//