ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001555
RECORD_TITLE: CYCLOOCTANE; 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$NAME: CYCLOOCTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆
CH$EXACT_MASS: 112.12520
CH$SMILES: C(C1)CCCCCC1
CH$IUPAC: InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2
CH$LINK: INCHIKEY WJTCGQSWYFHTAC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9075377

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$SPLASH: splash10-052f-9000000000-3a71cce4bc38b278a56c
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.89 19
  26 2.08 21
  27 31.62 316
  28 8.87 89
  29 26.88 269
  38 1.42 14
  39 36.07 361
  40 6.6 66
  41 95.15 952
  42 61.56 616
  43 43.9 439
  44 1.61 16
  50 1.2 12
  51 2.84 28
  52 1.44 14
  53 8.41 84
  54 10.97 110
  55 88.09 881
  56 99.99 999
  57 15.99 160
  65 1.64 16
  67 11.46 115
  68 21.46 215
  69 55.64 556
  70 63.32 633
  71 7.92 79
  79 1.18 12
  81 1.67 17
  82 11.71 117
  83 51.49 515
  84 39.12 391
  85 2.63 26
  97 9.12 91
  112 63.97 640
  113 5.62 56
//