ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009877
RECORD_TITLE: 3,7-DIMETHYL-8-OXO-2,6-OCTADIENYL ACETATE(Z); 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$NAME: 3,7-DIMETHYL-8-OXO-2,6-OCTADIENYL ACETATE(Z)
CH$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$LINK: INCHIKEY YODDEHYDMMDDCV-IKVLVDHLSA-N
AC$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-9100000000-62b204ab2d8f98970301
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 4.3 43
  29 5.8 58
  39 5 50
  41 7.8 78
  43 99.99 999
  44 1.5 15
  53 4.3 43
  54 2.8 28
  55 8.8 88
  56 1 10
  57 1 10
  65 1 10
  67 6 60
  68 2.7 27
  71 3.8 38
  77 1.2 12
  79 4.2 42
  80 13 130
  81 4.3 43
  82 29.5 295
  83 5 50
  84 37 370
  85 16.8 168
  91 2.7 27
  92 2.8 28
  93 8.6 86
  94 3.3 33
  95 8.6 86
  107 5.2 52
  108 1.8 18
  109 1 10
  117 2 20
  121 13.6 136
  122 2.3 23
  127 2 20
  135 7 70
  150 20.8 208
//
