ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003653
RECORD_TITLE: 2,2,7,7-TETRAMETHYLOCTA-4,5-DIEN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 2,2,7,7-TETRAMETHYLOCTA-4,5-DIEN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O
CH$EXACT_MASS: 180.15142
CH$SMILES: CC(C)(C)C=C=CC(=O)C(C)(C)C
CH$IUPAC: InChI=1S/C12H20O/c1-11(2,3)9-7-8-10(13)12(4,5)6/h8-9H,1-6H3
CH$LINK: INCHIKEY KZKKQILWANYRQG-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-a4248cd1a6a3fcfdc1ac
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  41 38 380
  43 99.99 999
  55 18 180
  57 8.1 81
  58 21 210
  69 17 170
  95 10 100
  123 0.11 1
  165 11 110
  180 7 70
//
