MassBank Record: JP007955

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(E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL BUTYRATE; CI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP007955
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL BUTYRATE; CI-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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL BUTYRATE
CH$NAME: GERANYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H24O2
CH$EXACT_MASS: 224.17763
CH$SMILES: CCCC(=O)OCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
CH$LINK: INCHIKEY ZSBOMYJPSRFZAL-JLHYYAGUSA-N
CH$LINK: COMPTOX DTXSID1047152

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV

PK$SPLASH: splash10-000i-9100000000-1a037a23250f9f9b8845
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  45 6.58 66
  59 9.83 98
  73 1.98 20
  85 1.31 13
  87 99.99 999
  88 4.66 47
  100 3.27 33
  101 2.92 29
  112 1.18 12
  114 0.96 10
  123 1.93 19
  125 1.16 12
  135 8.39 84
  138 0.97 10
  149 3.22 32
  176 1.08 11
  179 1.36 14
  223 3.35 34
//