ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006781
RECORD_TITLE: CYCLOOCTENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOOCTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄
CH$EXACT_MASS: 110.10955
CH$SMILES: C(C1)CCC=CCC1
CH$IUPAC: InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-
CH$LINK: INCHIKEY URYYVOIYTNXXBN-UPHRSURJSA-N
CH$LINK: COMPTOX DTXSID20883615

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0159-9000000000-51f21957f9c9187bcd72
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 6.32 63
  28 1.18 12
  29 4.09 41
  39 16.45 165
  40 3.18 32
  41 43.64 436
  42 4.45 45
  43 2.73 27
  51 2.64 26
  52 1.5 15
  53 10 100
  54 72.95 730
  55 20.45 205
  56 9.55 96
  65 3.68 37
  66 5 50
  67 99.99 999
  68 38.73 387
  69 17.45 175
  70 2.68 27
  77 3.36 34
  79 6.23 62
  80 3 30
  81 50.86 509
  82 65.59 656
  83 5.68 57
  91 1.36 14
  95 19.45 195
  109 1.14 11
  110 43.64 436
  111 3.86 39
  112 1.45 15
//