ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004880
RECORD_TITLE: 1,9,9-TRIMETHYL-6-METHYLENE-CIS-ANTI-CIS-TRICYCLO(6.3.0.0(3,7))UNDECAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1,9,9-TRIMETHYL-6-METHYLENE-CIS-ANTI-CIS-TRICYCLO(6.3.0.0(3,7))UNDECAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O
CH$EXACT_MASS: 218.16707
CH$SMILES: C=C(C3)C([H])(C([H])(C3)1)C([H])(C(C)(C)2)C(C)(CC2)C(=O)1
CH$IUPAC: InChI=1S/C15H22O/c1-9-5-6-10-11(9)12-14(2,3)7-8-15(12,4)13(10)16/h10-12H,1,5-8H2,2-4H3/t10-,11+,12+,15-/m1/s1
CH$LINK: INCHIKEY AGQNZJFDBYCSEQ-OXJKWZBOSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-4890000000-2eb73cf51568091edad4
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  80 39.4 394
  81 14.7 147
  93 1.8 18
  95 0.87 9
  96 2.8 28
  106 5 50
  107 1.8 18
  108 1.01 10
  109 35.3 353
  110 9.2 92
  111 1.8 18
  120 0.19 2
  121 1.9 19
  122 1.8 18
  124 4.6 46
  136 0.18 2
  137 2.8 28
  138 2.8 28
  139 32.6 326
  140 0.37 4
  147 3.2 32
  149 3.2 32
  150 2.3 23
  162 0.23 2
  175 1.8 18
  183 3.7 37
  200 4.6 46
  203 0.73 7
  204 1.8 18
  216 3.7 37
  217 2.8 28
  218 99.99 999
  219 12.4 124
  220 3.7 37
//
