ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008025
RECORD_TITLE: TRICYCLO(5.4.1.0(3,8))DODECANE-2,6-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TRICYCLO(5.4.1.0(3,8))DODECANE-2,6-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: O=C(C3)C(C1)C(C2)C(C3)C(=O)C(CC2)1
CH$IUPAC: InChI=1S/C12H16O2/c13-11-5-4-9-8-3-1-2-7(12(9)14)6-10(8)11/h7-10H,1-6H2
CH$LINK: INCHIKEY XIIQXOFOUYTYTF-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004l-9600000000-25c4fbd14ea8f02e88be
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  31 9.99 100
  39 38.92 389
  41 38.8 388
  43 8.32 83
  53 27.13 271
  54 12.66 127
  55 68.78 688
  65 1.39 14
  66 15.64 156
  67 33.27 333
  68 19.24 192
  69 9.87 99
  77 25.27 253
  78 8.44 84
  79 63.25 633
  80 3.83 38
  81 25.7 257
  82 16.95 170
  83 18.13 181
  84 8.88 89
  91 27.19 272
  92 13.66 137
  93 28.24 282
  94 35.38 354
  95 38.86 389
  96 24.58 246
  97 31.41 314
  98 8.81 88
  104 10.18 102
  105 16.39 164
  107 20.36 204
  108 1.03 10
  109 12.29 123
  110 14.46 145
  112 12.1 121
  119 8.19 82
  120 12.17 122
  121 25.57 256
  122 16.39 164
  125 99.99 999
  135 16.95 170
  136 12.97 130
  145 40.16 402
  148 13.72 137
  163 33.83 338
  191 87.46 875
  192 9.87 99
//