ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000950
RECORD_TITLE: HEXACHLOROBENZENE; 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$NAME: HEXACHLOROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆Cl₆
CH$EXACT_MASS: 281.81312
CH$SMILES: Clc(c(Cl)1)c(Cl)c(Cl)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
CH$LINK: CAS 118-74-1
CH$LINK: INCHIKEY CKAPSXZOOQJIBF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020682

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$SPLASH: splash10-001r-0390000000-97dc8f4d1e5fb325407e
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  47 4.7 47
  49 3 30
  60 5.8 58
  71 1.35 14
  72 6.6 66
  73 4.4 44
  83 3.3 33
  95 0.77 8
  97 3 30
  106 10.7 107
  107 25.6 256
  108 0.8 8
  109 7.4 74
  118 8.5 85
  120 5.5 55
  123 0.23 2
  130 3 30
  141 5.8 58
  142 35.3 353
  143 1.21 12
  144 22.6 226
  145 2.5 25
  146 3 30
  177 1.21 12
  179 11.8 118
  181 3.9 39
  212 13.2 132
  214 1.93 19
  216 9.9 99
  247 17.6 176
  249 28.1 281
  251 1.85 19
  253 5.2 52
  282 50.7 507
  284 99.99 999
  285 0.61 6
  286 83.7 837
  287 5.2 52
  288 32.8 328
  289 0.22 2
  290 8.8 88
//