ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006473
RECORD_TITLE: GERANYL FORMATE; 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$NAME: GERANYL FORMATE
CH$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O₂
CH$EXACT_MASS: 182.13068
CH$SMILES: O=COCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+
CH$LINK: INCHIKEY FQMZVFJYMPNUCT-YRNVUSSQSA-N
CH$LINK: COMPTOX DTXSID0047614

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$SPLASH: splash10-014i-9000000000-7f8190dc24539d8010f8
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 6.43 64
  29 6.88 69
  31 1.34 13
  39 10.09 101
  40 2.87 29
  41 50.19 502
  42 2.8 28
  43 2.77 28
  51 1.57 16
  53 9.08 91
  57 2.46 25
  65 1.73 17
  66 1.12 11
  67 8.49 85
  68 21.34 213
  69 99.99 999
  70 6.21 62
  77 2.17 22
  79 2.32 23
  80 3.47 35
  81 3.27 33
  85 1.05 11
  91 1.49 15
  92 2.19 22
  93 7.92 79
  94 1.46 15
  107 1.42 14
  121 4.18 42
  123 1.2 12
  136 11.54 115
  137 1.67 17
  139 1.06 11
//