ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004889
RECORD_TITLE: 1,6,6-TRIMETHYLBICYCLO(3.3.0)OCTAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1,6,6-TRIMETHYLBICYCLO(3.3.0)OCTAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18O
CH$EXACT_MASS: 166.13577
CH$SMILES: O=C(C2)C(C)(C1)C(C2)C(C)(C)C1
CH$IUPAC: InChI=1S/C11H18O/c1-10(2)6-7-11(3)8(10)4-5-9(11)12/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY GKANQDYTWSKMIX-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-9600000000-9e11c165a073ad1271dd
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  43 3.6 36
  55 10 100
  56 2.9 29
  67 2.29 23
  68 10 100
  69 33.6 336
  70 4.3 43
  77 0.29 3
  79 5.2 52
  81 11.4 114
  82 15 150
  83 0.57 6
  91 4.3 43
  93 7.1 71
  94 4.3 43
  95 99.99 999
  96 10.7 107
  97 26.4 264
  98 16.4 164
  105 0.29 3
  107 19.3 193
  108 4.3 43
  109 45 450
  110 1.93 19
  111 5.7 57
  119 5.7 57
  122 5.7 57
  123 1 10
  124 11.4 114
  131 7.1 71
  133 17.1 171
  151 7.71 77
  152 11.4 114
  166 32.9 329
  167 3.6 36
//
