ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002466
RECORD_TITLE: METHYL 4,4-DIMETHYL-8-OXO-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTANE-2BETA-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$NAME: METHYL 4,4-DIMETHYL-8-OXO-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTANE-2BETA-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O₃
CH$EXACT_MASS: 210.12559
CH$SMILES: COC(=O)C(C1)C([H])(C(=O)2)C([H])(CC2)C(C)(C)1
CH$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-/m0/s1
CH$LINK: INCHIKEY LREQCMQOLDGAAD-NRPADANISA-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$SPLASH: splash10-004i-0900000000-bc24d23f67ef53b88036
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  18 3.1 31
  22 2.6 26
  94 2.6 26
  96 0.44 4
  109 6.4 64
  110 3.9 39
  122 33.4 334
  123 1.16 12
  124 2.8 28
  128 11.6 116
  135 4.1 41
  150 1.8 18
  151 2.1 21
  154 14.9 149
  167 2.1 21
  178 99.99 999
  179 16.2 162
  182 14.9 149
  195 3.6 36
  210 21.1 211
//