ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004842
RECORD_TITLE: 4,8,14,15,15-PENTAMETHYLBICYCLO(9.3.1)PENTADECA-4(E),8(E),14-TRIENE; 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$NAME: 4,8,14,15,15-PENTAMETHYLBICYCLO(9.3.1)PENTADECA-4(E),8(E),14-TRIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H32
CH$EXACT_MASS: 272.25040
CH$SMILES: [H]C(C1)=C(C)CCC(=C(C)2)C(C)(C)C(CC2)CC([H])=C(C)C1
CH$IUPAC: InChI=1S/C20H32/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h8-9,18H,6-7,10-14H2,1-5H3/b15-9+,16-8+
CH$LINK: INCHIKEY PPHTWNLAMYYUHE-CBMFITSNSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001r-1900000000-ebe26581f6aef933cc3f
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  55 1.2 12
  68 2 20
  69 17 170
  79 1.67 17
  81 23.2 232
  83 1.3 13
  91 10.1 101
  93 4.21 42
  94 14.4 144
  95 29.7 297
  97 11.6 116
  105 1.67 17
  106 12.7 127
  107 57.1 571
  108 27 270
  109 3.23 32
  119 58 580
  120 21.9 219
  121 77.2 772
  122 1.23 12
  123 14.7 147
  131 2.9 29
  133 76.1 761
  134 99.99 999
  135 70.9 709
  136 28.5 285
  137 3.4 34
  145 1.07 11
  146 8.7 87
  147 21.8 218
  148 25.7 257
  149 0.86 9
  159 6 60
  161 37.9 379
  162 23.2 232
  173 0.63 6
  187 5.4 54
  189 60.9 609
  190 1.4 14
  257 5.07 51
  258 2.9 29
  272 27.9 279
//
