ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005805
RECORD_TITLE: 1,3,3-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: 1,3,3-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-ONE
CH$NAME: (+)-FENCHONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=C(C(C)21)C(C)(C)C([H])(CC2)C1
CH$IUPAC: InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
CH$LINK: CAS 4695-62-9
CH$LINK: INCHIKEY LHXDLQBQYFFVNW-XCBNKYQSSA-N
CH$LINK: COMPTOX DTXSID60858862
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-001i-9100000000-47c4006dbf1ec751f66d
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  53 2.99 30
  55 2.43 24
  67 4.15 42
  68 3.53 35
  69 39.72 397
  70 2.66 27
  72 2.14 21
  77 1.27 13
  79 3.07 31
  80 13.65 137
  81 99.99 999
  82 8.42 84
  109 4.06 41
  137 1.92 19
  152 16.65 167
  153 1.89 19
//
