MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007957

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

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007957
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL ACETATE; 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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL ACETATE
CH$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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV

PK$SPLASH: splash10-0a4i-9400000000-8fd84f9c1d50f54630ed
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  32 1.79 18
  42 2.12 21
  45 2.35 24
  59 99.99 999
  60 2.06 21
  71 0.97 10
  73 5.11 51
  83 1.57 16
  84 1.52 15
  99 0.97 10
  110 1.37 14
  111 1.12 11
  112 3 30
  119 1.28 13
  125 0.99 10
  129 0.96 10
  133 1.03 10
  135 11.56 116
  136 1.28 13
  137 1.64 16
  138 1.17 12
  141 1.14 11
  147 7.9 79
  149 10.36 104
  150 0.97 10
  151 1.23 12
  153 1.08 11
  162 5.91 59
  163 2.55 26
  176 1.23 12
  195 5.76 58
  234 3.44 34
  236 2.55 26
//

Imprint Feedback
system version 2.2.7

Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium

Responsible: Hannes Bohring

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.

de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo