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MassBank Record: JP000955

HEXACHLOROETHANE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP000955
RECORD_TITLE: HEXACHLOROETHANE; 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$NAME: HEXACHLOROETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2Cl6
CH$EXACT_MASS: 233.81312
CH$SMILES: ClC(Cl)(Cl)C(Cl)(Cl)Cl
CH$IUPAC: InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8
CH$LINK: CAS 67-72-1
CH$LINK: INCHIKEY VHHHONWQHHHLTI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020689

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$SPLASH: splash10-014j-4920000000-137222e716f44e0cd526
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  47 30.4 304
  49 9.9 99
  59 14 140
  61 0.44 4
  82 21.7 217
  83 8.2 82
  84 13.7 137
  94 3.05 31
  96 17.9 179
  98 3 30
  117 99.99 999
  119 8.3 83
  121 28.6 286
  123 3.1 31
  129 10.1 101
  131 0.94 9
  133 3.1 31
  164 23.1 231
  166 32.3 323
  168 1.57 16
  170 3.1 31
  199 34.7 347
  201 57.8 578
  203 3.75 38
  205 11.6 116
//

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