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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007956

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

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007956
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL PROPIONATE; 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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL PROPIONATE
CH$NAME: GERANYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H22O2
CH$EXACT_MASS: 210.16198
CH$SMILES: CCC(=O)OCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
CH$LINK: INCHIKEY BYCHQEILESTMQU-FMIVXFBMSA-N
CH$LINK: COMPTOX DTXSID8051540

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$SPLASH: splash10-00di-9300000000-f69de28682e83f0707aa
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  42 3.48 35
  45 3.03 30
  59 10.7 107
  60 2.52 25
  69 1.09 11
  70 2.58 26
  71 1.3 13
  73 99.99 999
  74 0.96 10
  83 2.35 24
  84 1.99 20
  85 1.78 18
  86 7.75 78
  87 8.97 90
  93 0.91 9
  103 1.24 12
  110 1.09 11
  111 2.29 23
  112 1.44 14
  113 2.01 20
  116 0.93 9
  117 2.07 21
  119 1 10
  124 2.57 26
  125 1.65 17
  126 3.57 36
  133 1.84 18
  135 1.88 19
  136 1.5 15
  139 0.96 10
  140 1.33 13
  146 1.53 15
  149 8.98 90
  150 1.08 11
  152 1.38 14
  162 5.48 55
  164 0.96 10
  165 1.83 18
  176 1.8 18
  179 2.57 26
  188 1.08 11
  189 1.11 11
  190 1.53 15
  196 0.93 9
  202 0.88 9
  204 1.09 11
  209 5.57 56
  222 1.05 11
//

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