ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009878
RECORD_TITLE: 3,7-DIMETHYL-8-OXO-2,6-OCTADIENYL ACETATE(E); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3,7-DIMETHYL-8-OXO-2,6-OCTADIENYL ACETATE(E)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18O3
CH$EXACT_MASS: 210.12559
CH$SMILES: O=CC(C)=CCCC(C)=CCOC(C)=O
CH$IUPAC: InChI=1S/C12H18O3/c1-10(7-8-15-12(3)14)5-4-6-11(2)9-13/h6-7,9H,4-5,8H2,1-3H3/b10-7+,11-6+
CH$LINK: INCHIKEY YODDEHYDMMDDCV-NXAIOARDSA-N
AC$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: splash10-000x-9200000000-e661ab2c8adb9a85b68a
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 6.2 62
  29 8.8 88
  39 8 80
  41 12 120
  43 99.99 999
  53 6.8 68
  54 1.8 18
  55 12.6 126
  56 1.5 15
  57 1.2 12
  65 1.5 15
  67 5.3 53
  68 3.6 36
  77 1.5 15
  79 2.6 26
  80 2 20
  81 2.7 27
  82 12 120
  83 4.2 42
  84 55 550
  85 21.3 213
  91 1.8 18
  92 1.2 12
  93 7 70
  94 1.8 18
  95 4 40
  97 1.2 12
  117 6.2 62
  118 2 20
  119 1.2 12
  121 14 140
  122 2.8 28
  123 1.3 13
  127 3.6 36
  135 10.3 103
  150 29.3 293
  151 3.9 39
//
