ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002482
RECORD_TITLE: 7-METHYL-1,6-OCTADIEN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 7-METHYL-1,6-OCTADIEN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H14O
CH$EXACT_MASS: 138.10447
CH$SMILES: C=CC(=O)CCC=C(C)C
CH$IUPAC: InChI=1S/C9H14O/c1-4-9(10)7-5-6-8(2)3/h4,6H,1,5,7H2,2-3H3
CH$LINK: INCHIKEY FVAZRTUEFHNRTR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00504356
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0avm-9100000000-0742d60aa2d5e573b58c
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  42 69.1 691
  43 15.85 159
  53 10.2 102
  54 4.71 47
  55 99.99 999
  56 9.95 100
  57 4.13 41
  59 10.16 102
  67 24.09 241
  68 17.45 175
  69 32.44 324
  70 37.29 373
  77 5.67 57
  79 8.12 81
  81 10.77 108
  82 15.03 150
  83 26.61 266
  93 5.4 54
  94 6.48 65
  95 41.2 412
  96 12.78 128
  97 18.17 182
  105 6.87 69
  109 7.89 79
  110 4.29 43
  120 6.97 70
  121 4.54 45
  123 20.48 205
  138 9.06 91
//
