MassBank Record: JP002443



 METHYL 4,4-DIMETHYL-8-OXO-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTANE-2ALPHA-CARBOXYLATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //