ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004949
RECORD_TITLE: KARAHANAENONE; 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$NAME: KARAHANAENONE
CH$NAME: 2,2,5-TRIMETHYL-4-CYCLOHEPTEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O
CH$EXACT_MASS: 152.12012
CH$SMILES: CC(C1)=CCC(C)(C)C(=O)C1
CH$IUPAC: InChI=1S/C10H16O/c1-8-4-5-9(11)10(2,3)7-6-8/h6H,4-5,7H2,1-3H3
CH$LINK: INCHIKEY SKKTZNHVYFHGDC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20173543

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$SPLASH: splash10-0fr2-9300000000-4dd178a06286135f9ed3
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  42 38.49 385
  43 18.29 183
  53 14.03 140
  55 18.68 187
  56 9.31 93
  67 47.6 476
  68 22.36 224
  69 14.62 146
  70 26.62 266
  77 7.27 73
  79 14.75 148
  81 44.59 446
  82 12.85 129
  83 7.08 71
  84 6.49 65
  91 7.08 71
  93 10.42 104
  94 8.85 89
  95 64.78 648
  96 48.59 486
  97 26.36 264
  109 52.52 525
  110 21.31 213
  137 19.8 198
  152 99.99 999
  153 11.73 117
//