ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002596
RECORD_TITLE: FENCHONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: FENCHONE
CH$NAME: 1,3,3-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=C(C(C)(C)1)C(C)(C2)CC(C2)1
CH$IUPAC: InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY LHXDLQBQYFFVNW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9025324

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-001i-9000000000-39548fbec25228381f9b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 7.42 74
  28 3.15 32
  29 4.49 45
  39 9.66 97
  41 25.52 255
  42 2.83 28
  43 2.83 28
  51 1.76 18
  52 1.07 11
  53 5.61 56
  54 1.23 12
  55 4.11 41
  65 1.82 18
  66 1.07 11
  67 5.66 57
  68 4.38 44
  69 46.28 463
  70 3.04 30
  72 2.19 22
  77 2.24 22
  79 3.47 35
  80 13.51 135
  81 99.99 999
  82 8.54 85
  91 1.33 13
  95 1.17 12
  109 5.13 51
  137 1.71 17
  152 13.35 134
  153 1.82 18
//