ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001213
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-9100000000-101b0cb51789a5c8c966
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  16 5.5 55
  27 2 20
  37 13 130
  39 3 30
  64 4 40
  65 48 480
  66 99.99 999
  67 0.65 7
  77 1.5 15
  78 19 190
  80 4 40
  81 0.2 2
  83 3.5 35
  84 7.5 75
  85 1 10
  92 0.8 8
  93 32 320
  94 6.5 65
  95 2 20
  101 0.15 2
  107 6 60
  109 2 20
  110 1 10
  119 1.75 18
  120 1 10
  121 2 20
  125 3.5 35
  133 3.2 32
  135 4 40
  136 1 10
  155 4 40
//