ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001556
RECORD_TITLE: CYCLOOCTENE; 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$NAME: CYCLOOCTENE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0gc3-9000000000-7e2958cf3e602fe1f7d4
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  15 1.56 16
  26 2.19 22
  27 27.26 273
  28 6.89 69
  29 11.41 114
  38 2.31 23
  39 42.47 425
  40 8.09 81
  41 74.54 745
  42 7.49 75
  43 4.26 43
  50 2.58 26
  51 6.23 62
  52 3.6 36
  53 18.18 182
  54 81.04 810
  55 24.32 243
  56 10.1 101
  63 1.44 14
  65 5.24 52
  66 6.02 60
  67 99.99 999
  68 39.2 392
  69 16.12 161
  70 2.82 28
  77 4.32 43
  78 1.26 13
  79 6.95 70
  80 3.54 35
  81 45.07 451
  82 67.51 675
  83 5.54 55
  84 1.2 12
  91 1.68 17
  93 1.2 12
  94 17.43 174
  95 1.53 15
  109 1.14 11
  110 36.6 366
  111 3.18 32
//