ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006797
RECORD_TITLE: CYCLOOCTANE; 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$NAME: CYCLOOCTANE
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4l-9000000000-33f4f43ebc5ea8c56f5c
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 1.4 14
  27 26.79 268
  28 8.38 84
  29 22.22 222
  39 35.43 354
  40 6.35 64
  41 86.48 865
  42 52.38 524
  43 39.24 392
  51 2.67 27
  53 8.89 89
  54 9.78 98
  55 90.29 903
  56 99.99 999
  57 16.83 168
  67 11.81 118
  68 20.95 210
  70 62.79 628
  71 7.87 79
  82 13.21 132
  83 53.52 535
  84 37.78 378
  97 9.65 97
  110 1.84 18
  111 12.13 121
  112 48.13 481
  113 4.19 42
//