ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006511
RECORD_TITLE: GERANYL ISOVALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: GERANYL ISOVALERATE
CH$NAME: 3,7-DIMETHYL-2,6-OCTADIENYL ISOPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O₂
CH$EXACT_MASS: 238.19328
CH$SMILES: CC(C)=CCCC(C)=CCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+
CH$LINK: INCHIKEY SOUKTGNMIRUIQN-NTEUORMPSA-N
CH$LINK: COMPTOX DTXSID10883184

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00kf-9000000000-c2003dcea4526ac97837
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  17 1.08 11
  18 3.45 35
  26 1.02 10
  27 23.52 235
  29 13.69 137
  38 1.4 14
  39 31.48 315
  40 1.92 19
  41 98.14 981
  42 4.63 46
  43 12.43 124
  50 2.15 22
  51 6.59 66
  52 3.23 32
  53 20.75 208
  54 2.18 22
  55 8.43 84
  56 1.38 14
  57 18.19 182
  58 1.02 10
  60 1.71 17
  63 2.07 21
  65 5.49 55
  66 2.92 29
  67 17.45 175
  68 31.41 314
  69 92.87 929
  70 4.03 40
  77 18.42 184
  78 2.98 30
  79 22.11 221
  80 22.37 224
  81 6.94 69
  82 1.87 19
  85 18.46 185
  91 22.48 225
  92 19.49 195
  93 99.99 999
  94 11.42 114
  95 2.61 26
  103 1.09 11
  105 5.16 52
  106 1.83 18
  107 5.67 57
  108 1.33 13
  119 2.06 21
  121 18.05 181
  122 1.41 14
  123 1.15 12
  136 11.68 117
  137 1.71 17
//