ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001212
RECORD_TITLE: 3,7-DIMETHYL-2,6-OCTADIENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 3,7-DIMETHYL-2,6-OCTADIENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(C)=CCCC(C)=CCOC(C)=O
CH$IUPAC: InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
CH$LINK: INCHIKEY HIGQPQRQIQDZMP-DHZHZOJOSA-N
CH$LINK: COMPTOX DTXSID0020654

AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-014r-9000000000-b468aa66dfd65ee6f636
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  13 3.5 35
  15 2 20
  16 9 90
  27 0.8 8
  28 6 60
  29 4 40
  35 9 90
  36 0.2 2
  37 56.5 565
  38 3 30
  39 60 600
  40 0.1 1
  51 1.5 15
  52 0.5 5
  53 8 80
  54 0.05 1
  55 4 40
  56 1 10
  57 1 10
  62 0.2 2
  63 1 10
  64 12.5 125
  65 43 430
  66 99.99 999
  67 5 50
  68 1 10
  76 2 20
  78 0.25 3
  79 10 100
  80 4 40
  81 1 10
  82 0.05 1
  83 2 20
  84 6 60
  85 1 10
  91 0.15 2
  92 4 40
  93 11.5 115
  94 4 40
  95 0.1 1
  105 1 10
  107 4 40
  108 1 10
  109 0.1 1
  119 10.5 105
  120 1 10
  121 2.5 25
  125 0.1 1
  133 15 150
  134 2 20
  155 1.5 15
//