ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007653
RECORD_TITLE: L-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$NAME: L-FENCHONE
CH$NAME: (1S)-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)21)C(C)(C)C([H])(CC2)C1
CH$IUPAC: InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
CH$LINK: CAS 7787-20-4
CH$LINK: INCHIKEY LHXDLQBQYFFVNW-OIBJUYFYSA-N
CH$LINK: COMPTOX DTXSID30884431

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 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-9200000000-8b9cf1761dae7818f033
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  68 2.46 25
  69 20.61 206
  70 1.72 17
  72 2.63 26
  80 15.63 156
  81 99.99 999
  82 8.41 84
  95 1.09 11
  109 4.35 44
  137 2.35 24
  152 27.53 275
  153 3.09 31
//