ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002436
RECORD_TITLE: 4-METHOXY-4,7,7,11BETA-TETRAMETHYL-5BETA,8ALPHA-TRICYCLO(6.3.0.0(1,5))UNDECANE; 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$NAME: 4-METHOXY-4,7,7,11BETA-TETRAMETHYL-5BETA,8ALPHA-TRICYCLO(6.3.0.0(1,5))UNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₈O
CH$EXACT_MASS: 236.21402
CH$SMILES: COC(C)(C3)C([H])(C1)C(C3)(C(C)2)C([H])(CC2)C(C)(C)1
CH$IUPAC: InChI=1S/C16H28O/c1-11-6-7-12-14(2,3)10-13-15(4,17-5)8-9-16(11,12)13/h11-13H,6-10H2,1-5H3/t11-,12-,13-,15?,16?/m1/s1
CH$LINK: INCHIKEY CVNPSGGDEFXAEB-YYVONYOCSA-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$SPLASH: splash10-0udr-4790000000-d7be9111b4973454dad9
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  72 2.6 26
  73 6.8 68
  85 54.7 547
  86 5.96 60
  87 16.1 161
  95 4.3 43
  135 30.2 302
  148 1.03 10
  149 14.8 148
  150 66.5 665
  151 16.2 162
  162 0.48 5
  176 2.6 26
  177 5.8 58
  178 3 30
  188 0.35 4
  204 99.99 999
  205 12.3 123
  215 3.1 31
  221 1.45 15
  222 4.1 41
  236 38.5 385
  237 4.3 43
//