ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006604
RECORD_TITLE: FENCHONE; 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$NAME: FENCHONE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-001i-9000000000-a6f20ad638918f01e975
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 9.17 92
  29 4.42 44
  39 14.41 144
  40 1.91 19
  41 30.69 307
  42 3.55 36
  43 2.75 28
  51 2.14 21
  52 1.07 11
  53 7.55 76
  54 1.27 13
  55 4.42 44
  65 2.12 21
  67 8.12 81
  68 3.85 39
  69 51.54 515
  70 3.46 35
  72 1.51 15
  77 2.72 27
  79 3.91 39
  80 12.74 127
  81 99.99 999
  82 8.7 87
  91 1.64 16
  95 1.17 12
  109 6.05 61
  137 1.32 13
  152 12.24 122
  153 1.3 13
//