ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006783
RECORD_TITLE: CYCLOOCTANOL; 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$NAME: CYCLOOCTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O
CH$EXACT_MASS: 128.12012
CH$SMILES: OC(C1)CCCCCC1
CH$IUPAC: InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2
CH$LINK: INCHIKEY FHADSMKORVFYOS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80219875

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$SPLASH: splash10-0apl-9000000000-6e5c1a37e2b6a2fa873e
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 1.64 16
  27 18.07 181
  28 4.42 44
  29 21.5 215
  31 8.18 82
  39 17.09 171
  40 3.52 35
  41 47.67 477
  42 19.46 195
  43 30.09 301
  44 25.51 255
  45 6.7 67
  53 5.31 53
  54 19.54 195
  55 32.3 323
  56 22.08 221
  57 99.99 999
  58 8.99 90
  66 8.18 82
  67 42.11 421
  68 42.52 425
  69 25.1 251
  70 3.68 37
  71 9.73 97
  72 4.42 44
  81 32.3 323
  82 34.26 343
  83 4.09 41
  84 7.03 70
  85 7.77 78
  86 2.04 20
  95 11.86 119
  99 4.09 41
  109 2.62 26
  110 8.18 82
  111 19.54 195
  112 1.64 16
  127 2.21 22
  128 1 10
//