ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005795
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ISOBUTYRATE; 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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ISOBUTYRATE
CH$NAME: GERANYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₄O₂
CH$EXACT_MASS: 224.17763
CH$SMILES: CC(C)=CCCC(C)=C([H])COC(=O)C(C)C
CH$IUPAC: InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
CH$LINK: INCHIKEY OGJYXQFXLSCKTP-UKTHLTGXSA-N
CH$LINK: COMPTOX DTXSID8051889

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$SPLASH: splash10-00kf-9100000000-6145fa1c542d3bb735c5
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  51 4.22 42
  52 1.83 18
  53 9.91 99
  54 1.06 11
  55 6.74 67
  63 0.91 9
  65 4.58 46
  66 1.61 16
  67 16.57 166
  68 37.55 376
  69 60.77 608
  70 3.93 39
  71 20.47 205
  72 0.98 10
  73 18.98 190
  77 19.3 193
  78 2.92 29
  79 21.75 218
  80 23.38 234
  81 8.98 90
  82 1.28 13
  88 7.38 74
  89 0.9 9
  91 21.93 219
  92 19.33 193
  93 99.99 999
  94 13.84 138
  95 2.28 23
  103 1.34 13
  105 7.96 80
  106 2.14 21
  107 10.33 103
  108 2.35 24
  119 3 30
  121 31.55 316
  122 3.09 31
  123 1.19 12
  136 27.38 274
  137 3.6 36
  138 0.14 1
  139 0.17 2
  153 0.15 2
  154 0.78 8
  155 0.85 9
  156 0.14 1
  224 0.24 2
//