ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006981
RECORD_TITLE: GERANYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: GERANYL ISOBUTYRATE
CH$NAME: 3,7-DIMETHYL-2,6-OCTADIENYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₄O₂
CH$EXACT_MASS: 224.17763
CH$SMILES: CC(C)=CCCC(C)=CCOC(=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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-014l-9000000000-8e78ac6db5b26d52fea5
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 11.47 115
  29 4.49 45
  39 10.78 108
  40 3.34 33
  41 55.73 557
  42 3.79 38
  43 54.33 543
  44 1.66 17
  51 1.04 10
  53 10.51 105
  54 1.14 11
  55 4.92 49
  65 1.6 16
  66 1.02 10
  67 12.33 123
  68 44.6 446
  69 99.99 999
  70 5.54 55
  71 35.93 359
  72 1.45 15
  77 2 20
  79 3.69 37
  80 14.5 145
  81 8.8 88
  85 1.06 11
  91 1.96 20
  92 6.63 66
  93 29.82 298
  94 5.43 54
  95 2.13 21
  107 4.51 45
  108 1.44 14
  121 15.36 154
  122 1.39 14
  123 1.97 20
  136 13.36 134
  137 2.3 23
  154 1.22 12
  155 1.28 13
//