ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009848
RECORD_TITLE: GERANYL ACETATE; 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$NAME: GERANYL ACETATE
CH$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$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-014l-9000000000-168e059351700c9d4d25
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 7.7 77
  28 2.2 22
  29 6.4 64
  39 1.1 11
  40 3.3 33
  41 66.8 668
  42 4.5 45
  43 7.38 74
  44 2.8 28
  45 2.7 27
  53 10.6 106
  55 0.58 6
  57 2.1 21
  65 2.2 22
  67 15.5 155
  68 6.17 62
  69 99.99 999
  70 10.2 102
  71 1.9 19
  77 0.31 3
  79 4.5 45
  80 13.9 139
  81 6.8 68
  84 0.4 4
  85 9.2 92
  91 3.2 32
  92 6.3 63
  93 3.04 30
  94 5.2 52
  95 1.9 19
  107 4.9 49
  121 1.53 15
  123 3 30
  127 2.3 23
  135 17.4 174
  136 0.27 3
  153 1.8 18
//