MassBank Record: JP000784

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(2',2',2'-2H(3))ETHYLIDENECYCLOHEXANE; EI-B; MS

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

ACCESSION: JP000784
RECORD_TITLE: (2',2',2'-2H(3))ETHYLIDENECYCLOHEXANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (2',2',2'-2H(3))ETHYLIDENECYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14
CH$EXACT_MASS: 110.1095499999999987039700499735772609710693359375
CH$SMILES: [2H]C([2H])([2H])C=C(C1)CCCC1
CH$IUPAC: InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2H,3-7H2,1H3/i1D3
CH$LINK: INCHIKEY BPBOWYWUOUJKLO-FIBGUPNXSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-9000000000-f85fc4f56e08bd19104c
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  52 3.7 37
  53 3.1 31
  54 8 80
  55 1.32 13
  56 10.5 105
  57 5.1 51
  58 3.8 38
  59 0.5 5
  66 2.5 25
  67 26.5 265
  68 14.8 148
  69 1.06 11
  70 11.8 118
  71 11.4 114
  72 9.4 94
  77 0.28 3
  78 2.5 25
  79 8.8 88
  80 7 70
  81 99.99 999
  82 10.7 107
  83 5.8 58
  84 7.2 72
  85 0.91 9
  95 9.4 94
  97 7.4 74
  112 1.8 18
  113 3.1 31
  114 2.9 29
//