ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002444
RECORD_TITLE: 6,6-DIMETHYL-8ALPHA-(1-OXOETHYL)-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTAN-2-ONE ETHYLENE ACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 6,6-DIMETHYL-8ALPHA-(1-OXOETHYL)-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTAN-2-ONE ETHYLENE ACETAL
CH$NAME: 8-ACETYL-2,2-ETHYLENEDIOXY-6,6-DIMETHYL-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O₃
CH$EXACT_MASS: 238.15689
CH$SMILES: CC(=O)C([H])(C1)C([H])(C(O3)(OCC3)2)C([H])(CC2)C(C)(C)1
CH$IUPAC: InChI=1S/C14H22O3/c1-9(15)10-8-13(2,3)11-4-5-14(12(10)11)16-6-7-17-14/h10-12H,4-8H2,1-3H3/t10-,11-,12-/m1/s1
CH$LINK: INCHIKEY YPXZNWIYKCDQTL-IJLUTSLNSA-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 13.5 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000j-9380000000-8ccaa5c4c6ee2bd2ab7f
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  86 18.3 183
  87 5.9 59
  99 99.99 999
  100 0.2 2
  126 2.6 26
  133 3.1 31
  151 4.4 44
  181 0.26 3
  193 9.2 92
  195 24.2 242
  196 4.1 41
  224 0.26 3
  238 98.9 989
  239 14.4 144
//