ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011624
RECORD_TITLE: HEXACHLOROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-001r-0290000000-be7d6414f99da634dbcc
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  35 2.3 23
  36 3.17 32
  47 3.45 35
  49 1.07 11
  60 2.27 23
  71 6.12 61
  72 2.98 30
  73 1.64 16
  83 1.39 14
  88 1.18 12
  89 1.18 12
  94 1.32 13
  95 3.71 37
  97 1.15 12
  106 5.46 55
  107 11.67 117
  108 3.95 40
  109 3.42 34
  118 4.96 50
  120 3.31 33
  130 1.71 17
  132 1.14 11
  141 3.97 40
  142 21.92 219
  143 6.1 61
  144 12.18 122
  145 1.37 14
  146 1.79 18
  165 1.05 11
  167 1.05 11
  177 7.31 73
  179 7.16 72
  181 2.29 23
  212 10.9 109
  214 13.95 140
  215 1 10
  216 6.91 69
  218 1.49 15
  247 13.85 139
  248 1.24 12
  249 23.66 237
  250 2.02 20
  251 14.14 141
  252 1.27 13
  253 4.65 47
  282 53.02 530
  283 3.52 35
  284 99.99 999
  285 6.59 66
  286 80.06 801
  287 5.28 53
  288 35.21 352
  290 8.25 83
  292 1.04 10
//