ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005794
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL PROPIONATE; EI-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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL PROPIONATE
CH$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: 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$SPLASH: splash10-00kf-9200000000-73b9877230faa7aab525
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  51 4.94 49
  52 2.3 23
  53 10.09 101
  54 1.19 12
  55 6.17 62
  56 2 20
  57 20.82 208
  58 1.41 14
  63 1.27 13
  65 5.33 53
  66 2.05 21
  67 17.12 171
  68 33.72 337
  69 51.65 517
  70 3.28 33
  73 10.45 105
  74 15.4 154
  75 1 10
  77 21.79 218
  78 4.11 41
  79 22.93 229
  80 18.15 182
  81 7.5 75
  82 2.05 21
  85 2.08 21
  91 24.32 243
  92 20.35 204
  93 99.99 999
  94 14.51 145
  95 3.3 33
  103 1.33 13
  105 8.92 89
  106 2.66 27
  107 11 110
  108 2.72 27
  109 1.27 13
  115 1.3 13
  117 1.27 13
  119 3.86 39
  120 0.97 10
  121 28.49 285
  122 2.5 25
  123 1.33 13
  136 26.93 269
  137 3.19 32
  154 0.88 9
  159 1.69 17
//