ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001558
RECORD_TITLE: 1.5-CYCLOOCTADIENE; 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$NAME: 1.5-CYCLOOCTADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂
CH$EXACT_MASS: 108.09390
CH$SMILES: C(C1)C=CCCC=C1
CH$IUPAC: InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-
CH$LINK: INCHIKEY VYXHVRARDIDEHS-QGTKBVGQSA-N
CH$LINK: COMPTOX DTXSID0026888

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$SPLASH: splash10-0uxr-9000000000-fcefaab2a2f7d4cd012a
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  26 2.22 22
  27 20.96 210
  28 7.46 75
  29 2.97 30
  38 2.88 29
  39 47.24 472
  40 4.39 44
  41 23.12 231
  42 1.51 15
  50 4.59 46
  51 9.82 98
  52 5.47 55
  53 13.77 138
  54 99.99 999
  55 5.87 59
  62 1.08 11
  63 2.59 26
  65 8.44 84
  66 19.67 197
  67 82.57 826
  68 5.12 51
  77 12.72 127
  78 5.44 54
  79 35.86 359
  80 42.8 428
  81 3.51 35
  91 8.07 81
  92 1.02 10
  93 13.48 135
  94 1.12 11
  107 1.6 16
  108 11.41 114
  109 1.08 11
//