ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005796
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL BUTYRATE; EI-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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL BUTYRATE
CH$NAME: GERANYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₄O₂
CH$EXACT_MASS: 224.17763
CH$SMILES: CCCC(=O)OCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
CH$LINK: INCHIKEY ZSBOMYJPSRFZAL-JLHYYAGUSA-N
CH$LINK: COMPTOX DTXSID1047152

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-00kf-9100000000-7627e05953e90b0b69d4
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  51 4.07 41
  52 1.5 15
  53 9.79 98
  55 7.03 70
  60 58.24 582
  61 1.82 18
  65 4.74 47
  66 1.39 14
  67 16.96 170
  68 36.19 362
  69 60.99 610
  70 3.31 33
  71 22.17 222
  72 1.01 10
  73 16.67 167
  77 21.77 218
  78 2.96 30
  79 24.15 242
  80 19.43 194
  81 9.07 91
  82 1.62 16
  85 1.19 12
  87 1.02 10
  88 2.14 21
  91 24.45 245
  92 18.45 185
  93 99.99 999
  94 13.92 139
  95 2.69 27
  103 1.65 17
  105 9.72 97
  106 2.42 24
  107 9.85 99
  108 2.11 21
  119 2.3 23
  121 30.69 307
  122 3.19 32
  123 1.39 14
  136 26.04 260
  137 3.46 35
  154 1.08 11
  155 0.68 7
  207 0.06 1
//