ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001557
RECORD_TITLE: 1.3-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$NAME: 1.3-CYCLOOCTADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂
CH$EXACT_MASS: 108.09390
CH$SMILES: C(C1)CC=CC=CC1
CH$IUPAC: InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-
CH$LINK: INCHIKEY RRKODOZNUZCUBN-CCAGOZQPSA-N

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$SPLASH: splash10-004l-9000000000-b2dc85088642111216e7
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  26 2.28 23
  27 21.86 219
  28 3.45 35
  29 3.92 39
  38 3.33 33
  39 38.48 385
  40 5.54 55
  41 28.6 286
  42 1.51 15
  50 6.05 61
  51 13.92 139
  52 8.58 86
  53 10.23 102
  54 13.51 135
  55 2.3 23
  62 1.36 14
  63 3.8 38
  65 14.39 144
  66 19.2 192
  67 52.54 525
  68 3.69 37
  74 1.06 11
  77 31.19 312
  78 12.12 121
  79 99.99 999
  80 54.13 541
  81 4.87 49
  91 18.93 189
  92 2.36 24
  93 50.45 505
  94 4.01 40
  105 1.48 15
  107 3.86 39
  108 44.28 443
  109 3.93 39
//