ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004858
RECORD_TITLE: 1-BUTYLBICYCLO(3.2.2)NONA-3,6,8-TRIEN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1-BUTYLBICYCLO(3.2.2)NONA-3,6,8-TRIEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H16O
CH$EXACT_MASS: 188.12012
CH$SMILES: CCCCC(C(=O)2)(C([H])=1)C([H])=C([H])C(C([H])=C([H])2)C([H])1
CH$IUPAC: InChI=1S/C13H16O/c1-2-3-8-13-9-6-11(7-10-13)4-5-12(13)14/h4-7,9-11H,2-3,8H2,1H3
CH$LINK: INCHIKEY DDONLUKKNZXFPF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13734761
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-0900000000-d318eb08a04a4677a055
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  131 99.99 999
  146 25.3 253
  160 10.5 105
  172 0.53 5
  188 17.7 177
//
