ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004887
RECORD_TITLE: 6,8,8-TRIMETHYLBICYCLO(3.2.1)OCT-6-EN-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$NAME: 6,8,8-TRIMETHYLBICYCLO(3.2.1)OCT-6-EN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆O
CH$EXACT_MASS: 164.12012
CH$SMILES: O=C(C2)C(C=1)C(C)(C)C(C2)C(C)1
CH$IUPAC: InChI=1S/C11H16O/c1-7-6-9-10(12)5-4-8(7)11(9,2)3/h6,8-9H,4-5H2,1-3H3
CH$LINK: INCHIKEY ZLPJOXYHLLMTKU-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$SPLASH: splash10-054o-9700000000-266d9fb8f2da61e5b789
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  28 58 580
  29 2.3 23
  32 21.4 214
  41 0.31 3
  43 3.8 38
  55 3.1 31
  57 2.3 23
  67 0.23 2
  77 5.3 53
  79 8.4 84
  80 3.1 31
  81 0.23 2
  91 14.5 145
  92 3.1 31
  93 99.99 999
  94 1.45 15
  95 2.3 23
  105 13 130
  106 3.1 31
  107 1.37 14
  108 80.9 809
  109 17.6 176
  110 2.3 23
  119 0.34 3
  120 11.1 111
  122 17.6 176
  123 1.5 15
  129 0.15 2
  131 4.6 46
  135 4.2 42
  136 6.1 61
  146 0.69 7
  147 1.1 11
  149 3.1 31
  164 23.7 237
  165 4.6 46
//