ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002437
RECORD_TITLE: 9-METHOXY-6,6,9-TRIMETHYL-5ALPHA,8BETA-TRICYCLO(6.3.0.0(1,5))UNDECAN-2-ONE; 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$NAME: 9-METHOXY-6,6,9-TRIMETHYL-5ALPHA,8BETA-TRICYCLO(6.3.0.0(1,5))UNDECAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄O₂
CH$EXACT_MASS: 236.17763
CH$SMILES: COC(C)(C3)C([H])(C1)C(C3)(C(=O)2)C([H])(CC2)C(C)(C)1
CH$IUPAC: InChI=1S/C15H24O2/c1-13(2)9-11-14(3,17-4)7-8-15(11)10(13)5-6-12(15)16/h10-11H,5-9H2,1-4H3/t10-,11-,14?,15?/m0/s1
CH$LINK: INCHIKEY VXTCXUMTNXUWOH-WZWWUGBPSA-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$SPLASH: splash10-059i-9370000000-3ec08e1d4ff65dcca0bb
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  57 2.1 21
  72 36.2 362
  73 41.1 411
  85 99.99 999
  86 4.7 47
  94 8.1 81
  110 8 80
  136 1.11 11
  149 3.4 34
  150 25.8 258
  151 5.5 55
  152 0.36 4
  164 6.2 62
  165 22.1 221
  166 2.1 21
  189 0.21 2
  204 21.6 216
  205 7 70
  206 96 960
  207 3.46 35
  209 2.1 21
  221 16.4 164
  222 2.9 29
  236 3.7 37
//