ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001949
RECORD_TITLE: 2,2,7,7-TETRAMETHYL-4-METHYLENECYCLOHEPTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2,2,7,7-TETRAMETHYL-4-METHYLENECYCLOHEPTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O
CH$EXACT_MASS: 180.15142
CH$SMILES: C=C(C1)CC(C)(C)C(=O)C(C)(C)C1
CH$IUPAC: InChI=1S/C12H20O/c1-9-6-7-11(2,3)10(13)12(4,5)8-9/h1,6-8H2,2-5H3
CH$LINK: INCHIKEY WTVWRJYDHWAHLK-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-053s-9400000000-9c648ed150436c221836
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  41 36.17 362
  43 13.61 136
  53 9.36 94
  55 21.27 213
  56 13.61 136
  57 4.68 47
  67 22.12 221
  68 12.34 123
  69 15.31 153
  77 7.23 72
  79 3.82 38
  81 99.99 999
  82 20.85 209
  83 9.78 98
  93 4.25 43
  95 39.14 391
  96 71.06 711
  97 5.95 60
  108 8.93 89
  109 74.89 749
  110 9.36 94
  111 8.08 81
  124 21.27 213
  125 28.08 281
  137 15.74 157
  138 3.4 34
  165 11.06 111
  180 43.82 438
  181 3.4 34
//
