ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007554
RECORD_TITLE: GERANYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: GERANYL ACETATE
CH$NAME: ACETIC ACID (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL ESTER
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: CAS 105-87-3
CH$LINK: INCHIKEY HIGQPQRQIQDZMP-DHZHZOJOSA-N
CH$LINK: COMPTOX DTXSID0020654

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-014i-9200000000-b66d9ab15b5ecaec1155
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  55 2.54 25
  68 61.16 612
  69 99.99 999
  80 24.56 246
  85 9.28 93
  92 12.16 122
  93 45.85 459
  107 7.15 72
  108 3.23 32
  121 21.98 220
  123 3.54 35
  136 25.59 256
  137 3.03 30
  154 3 30
//