ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005492
RECORD_TITLE: 8ALPHA-(3-PROPANOYL)-6,6,8BETA-TRIMETHYL-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA

CH$NAME: 8ALPHA-(3-PROPANOYL)-6,6,8BETA-TRIMETHYL-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O₂
CH$EXACT_MASS: 222.16198
CH$SMILES: CCC(=O)C(C1)C(=O)C([H])(C([H])(C)2)C([H])1C(C)(C)C2
CH$IUPAC: InChI=1S/C14H22O2/c1-5-11(15)9-6-10-12(13(9)16)8(2)7-14(10,3)4/h8-10,12H,5-7H2,1-4H3/t8-,9?,10-,12-/m1/s1
CH$LINK: INCHIKEY QUYUFRUVBMTHMP-FJJXIOPLSA-N

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-0910000000-9d04fe45533b0f41199b
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  96 1 10
  123 6.4 64
  124 2 20
  138 0.31 3
  161 1.6 16
  165 99.99 999
  166 19.9 199
  167 0.12 1
  179 1.4 14
  222 22.4 224
  223 5.9 59
//