MassBank Record: JP002442



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

ACCESSION: JP002442
RECORD_TITLE: METHYL 8,8-ETHYLENEDIOXY-4,4-DIMETHYL-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$NAME: METHYL 8,8-ETHYLENEDIOXY-4,4-DIMETHYL-1ALPHA,5ALPHA-BICYCLO(3.3.0)OCTANE-2BETA-CARBOXYLATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H22O4 CH$EXACT_MASS: 254.15181 CH$SMILES: COC(=O)C([H])(C1)C([H])(C(O3)(OCC3)2)C([H])(CC2)C(C)(C)1 CH$IUPAC: InChI=1S/C14H22O4/c1-13(2)8-9(12(15)16-3)11-10(13)4-5-14(11)17-6-7-18-14/h9-11H,4-8H2,1-3H3/t9-,10-,11-/m0/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$SPLASH: splash10-0002-9340000000-f63d2e650bf53e233935 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 18 5 50 86 2.1 21 99 99.99 999 100 3.52 35 101 3.6 36 107 2.1 21 126 6.6 66 127 0.36 4 128 3.5 35 138 2.6 26 170 2.1 21 177 0.57 6 178 3.8 38 179 2 20 194 7.1 71 195 0.75 8 198 4.2 42 207 2.9 29 211 3 30 223 0.29 3 225 27.4 274 226 3 30 239 8.6 86 254 3.42 34 255 2.7 27 //