ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007555
RECORD_TITLE: GERANYL ISOVALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: GERANYL ISOVALERATE
CH$NAME: ISOVALERIC ACID TRANS-3,7-DIMETHYL-2,6-OCTADIEN-1-OL ESTER
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014u-9100000000-4feb3fb7d290cdca583d
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41 27.02 270
  43 6.78 68
  57 46.97 470
  58 2.65 27
  68 70.84 708
  69 99.99 999
  80 35.65 357
  85 59.18 592
  92 16.58 166
  93 50.44 504
  107 10.55 106
  108 4.97 50
  121 31.63 316
  123 5 50
  136 27.33 273
  137 6.04 60
  154 3.98 40
//