ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005793
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ACETATE
CH$NAME: GERANYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(C)=CCCC(C)=C([H])COC(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$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-00kf-9200000000-47ea814eba89b6d74c80
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  51 4.02 40
  52 1.95 20
  53 10.89 109
  54 0.99 10
  55 7.32 73
  60 18.44 184
  63 1.13 11
  65 5.13 51
  66 1.68 17
  67 19.52 195
  68 37.92 379
  69 64.09 641
  70 3.94 39
  77 21.01 210
  78 4.01 40
  79 23.76 238
  80 22.34 223
  81 8.69 87
  82 1.47 15
  84 1.39 14
  85 2.99 30
  91 23.93 239
  92 20.26 203
  93 99.99 999
  94 14.02 140
  95 3.14 31
  103 1.38 14
  105 8.73 87
  106 2.71 27
  107 9.1 91
  108 2.24 22
  109 1.04 10
  115 0.96 10
  117 1.09 11
  119 3.77 38
  121 30.81 308
  122 2.87 29
  123 1.38 14
  127 0.95 10
  136 28.73 287
  137 3.11 31
//