ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002440
RECORD_TITLE: 8ALPHA-(1-METHOXY-1-METHYL-3-BUTENYL)-6,6-DIMETHYL-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$NAME: 8ALPHA-(1-METHOXY-1-METHYL-3-BUTENYL)-6,6-DIMETHYL-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTAN-2-ONE ETHYLENE ACETAL
CH$NAME: 2,2-ETHYLENEDIOXY-8ALPHA-(1-METHOXY-1-METHYL-3-BUTENYL)-6,6-DIMETHYL-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₀O₃
CH$EXACT_MASS: 294.21949
CH$SMILES: C=CCC(C)(OC)C([H])(C1)C([H])(C(O3)(OCC3)2)C([H])(CC2)C(C)(C)1
CH$IUPAC: InChI=1S/C18H30O3/c1-6-8-17(4,19-5)14-12-16(2,3)13-7-9-18(15(13)14)20-10-11-21-18/h6,13-15H,1,7-12H2,2-5H3/t13-,14+,15+,17?/m1/s1
CH$LINK: INCHIKEY GPQVBASQDOISCO-IHDLAIGLSA-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$SPLASH: splash10-0udi-3090000000-d521432ffcd9cd59e557
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  98 6.4 64
  99 40.4 404
  100 5.6 56
  191 1.52 15
  192 3.1 31
  209 4.9 49
  239 3 30
  247 0.2 2
  253 99.99 999
  254 11.5 115
  262 4.9 49
  263 0.3 3
  294 2.5 25
//