MassBank Record: JP000784



 (2',2',2'-2H(3))ETHYLIDENECYCLOHEXANE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

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: 110.10955 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
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 //