ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002443
RECORD_TITLE: METHYL 4,4-DIMETHYL-8-OXO-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTANE-2ALPHA-CARBOXYLATE; 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$NAME: METHYL 4,4-DIMETHYL-8-OXO-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTANE-2ALPHA-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O₃
CH$EXACT_MASS: 210.12559
CH$SMILES: COC(=O)C([H])(C1)C([H])(C(=O)2)C([H])(CC2)C(C)(C)1
CH$IUPAC: InChI=1S/C12H18O3/c1-12(2)6-7(11(14)15-3)10-8(12)4-5-9(10)13/h7-8,10H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
CH$LINK: INCHIKEY LREQCMQOLDGAAD-WEDXCCLWSA-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$SPLASH: splash10-07vi-1910000000-45a41cd7ed0ab26042d3
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  95 33.6 336
  96 18.5 185
  108 84.2 842
  109 2.74 27
  110 22 220
  111 26.8 268
  112 6.5 65
  122 3.27 33
  126 2.4 24
  136 2.1 21
  150 7.7 77
  151 2.38 24
  152 6.3 63
  155 2.4 24
  166 19.9 199
  167 99.99 999
  168 7.7 77
  171 7.7 77
  178 8 80
  182 1.49 15
  183 7.1 71
  184 3.6 36
  210 33.9 339
  211 2.4 24
//