ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010849
RECORD_TITLE: CYCLOOCTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOOCTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O
CH$EXACT_MASS: 126.10447
CH$SMILES: O=C(C1)CCCCCC1
CH$IUPAC: InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2
CH$LINK: INCHIKEY IIRFCWANHMSDCG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060114

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0537-9000000000-46440683af775da5a37c
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  14 1.9 19
  15 2.8 28
  26 4.1 41
  27 35.7 357
  29 17.3 173
  30 1.1 11
  37 1.1 11
  38 2.4 24
  39 44.2 442
  40 1.5 15
  41 84.6 846
  42 72.6 726
  43 14.1 141
  50 1.5 15
  51 3.6 36
  52 1.9 19
  53 7.4 74
  54 8.1 81
  55 99.99 999
  56 31.8 318
  57 6.8 68
  58 4.5 45
  59 1.2 12
  63 1.2 12
  65 1.8 18
  66 1.4 14
  67 15.9 159
  68 11 110
  69 26.3 263
  70 23.7 237
  71 5.1 51
  72 1.5 15
  77 1 10
  79 3.6 36
  80 2.9 29
  81 2.2 22
  82 34.1 341
  83 37.7 377
  84 40.5 405
  85 3 30
  93 5 50
  97 16.2 162
  98 91 910
  99 5.5 55
  108 1.3 13
  111 6.4 64
  126 13.1 131
  127 1.7 17
//