ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009885
RECORD_TITLE: 8-HYDROXY-3,7-DIMETHYL-2,6-OCTADIENEYL 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$NAME: 8-HYDROXY-3,7-DIMETHYL-2,6-OCTADIENEYL ACETATE(Z)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₃
CH$EXACT_MASS: 212.14124
CH$SMILES: OCC(C)=CCCC(C)=CCOC(C)=O
CH$IUPAC: InChI=1S/C12H20O3/c1-10(7-8-15-12(3)14)5-4-6-11(2)9-13/h6-7,13H,4-5,8-9H2,1-3H3/b10-7-,11-6+
CH$LINK: INCHIKEY HZIJXISIZGWHAY-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$SPLASH: splash10-0006-9100000000-309439e27904c29502f4
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  28 3.5 35
  29 5.6 56
  39 5.7 57
  42 13.2 132
  43 99.99 999
  44 4 40
  53 7.5 75
  55 11.3 113
  57 2.8 28
  67 15.7 157
  68 33.6 336
  69 10 100
  71 5 50
  77 3 30
  79 9 90
  80 4 40
  81 15.2 152
  82 3.8 38
  83 6 60
  84 36.2 362
  85 12 120
  91 5.5 55
  92 3 30
  93 17 170
  94 6.8 68
  95 6 60
  97 3.5 35
  105 4.3 43
  107 8.5 85
  109 4.2 42
  119 15.3 153
  121 4.8 48
  123 2 20
  126 5.5 55
  127 3.2 32
  135 9 90
  146 16 160
  147 2.2 22
//