ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007953
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL ISOBUTYRATE; 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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL ISOBUTYRATE
CH$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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV

PK$SPLASH: splash10-000i-9600000000-60c3ce4d3c48400beb91
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  33 1.2 12
  39 2.28 23
  42 1.39 14
  45 13.32 133
  58 1.22 12
  59 11.38 114
  60 6.15 62
  71 2.26 23
  73 5.8 58
  83 3.73 37
  85 1.04 10
  87 99.99 999
  88 3.85 39
  98 2.44 24
  100 18.27 183
  101 7.34 73
  110 1.16 12
  111 1.79 18
  112 2.45 25
  114 1.02 10
  115 1.88 19
  119 0.97 10
  124 0.95 10
  125 1.91 19
  126 1.48 15
  131 1.95 20
  133 1.62 16
  134 1.13 11
  135 17.82 178
  136 2.38 24
  137 1.27 13
  138 1.55 16
  139 2.09 21
  140 1.18 12
  147 1.27 13
  149 13.94 139
  150 1.58 16
  156 1.36 14
  162 3.41 34
  163 1.41 14
  166 1.29 13
  168 2.17 22
  176 2.7 27
  177 1.72 17
  178 1.51 15
  179 1.72 17
  204 1.22 12
  206 0.97 10
  223 2 20
  233 3.83 38
  251 1.39 14
//