ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009886
RECORD_TITLE: 8-HYDROXY-3,7-DIMETHYL-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$NAME: 8-HYDROXY-3,7-DIMETHYL-2,6-OCTADIENYL ACETATE(E)
CH$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-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$SPLASH: splash10-00kf-9100000000-e8fc17d2cdbf477bbf13
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  27 6.6 66
  29 10.5 105
  31 1.8 18
  39 9.8 98
  40 2.7 27
  41 22.8 228
  42 3.2 32
  43 99.99 999
  44 3 30
  45 3 30
  53 7 70
  55 3 30
  57 7.8 78
  65 2.8 28
  67 22.5 225
  68 70 700
  69 13.2 132
  71 5.3 53
  77 4.2 42
  79 7 70
  80 5 50
  81 10 100
  82 10 100
  83 7 70
  84 53.7 537
  85 15 150
  86 2.2 22
  91 6 60
  92 4.2 42
  93 12.6 126
  94 12.6 126
  95 7 70
  96 3 30
  97 10.3 103
  105 4 40
  106 2 20
  107 2 20
  109 6 60
  110 1.5 15
  119 9.8 98
  120 1.3 13
  121 6.8 68
  122 1.2 12
  123 4.2 42
  126 4.2 42
  127 4 40
  134 15.2 152
  135 5.3 53
  137 3 30
  152 3.8 38
//