ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007952
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL CAPROATE; CI-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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL CAPROATE
CH$NAME: GERANYL CAPROATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₈O₂
CH$EXACT_MASS: 252.20893
CH$SMILES: CCCCCC(=O)OCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12+
CH$LINK: INCHIKEY ARVSCQUZFFSNKF-NTCAYCPXSA-N
CH$LINK: COMPTOX DTXSID20881398

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV

PK$SPLASH: splash10-014i-1900000000-5538cc281f17b22a6c0e
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  42 2.58 26
  45 5.38 54
  59 3.44 34
  60 3.13 31
  72 1.2 12
  73 7.31 73
  83 3.58 36
  84 2.63 26
  85 2.65 27
  87 1.97 20
  97 5.67 57
  98 3.12 31
  99 1.73 17
  110 2.44 24
  111 2.39 24
  112 5.11 51
  113 4.46 45
  114 1.9 19
  115 99.99 999
  116 6.82 68
  122 0.98 10
  124 3.79 38
  125 2.93 29
  126 3.31 33
  127 1.22 12
  128 24.75 248
  129 7.96 80
  130 1.09 11
  131 1.22 12
  133 1.63 16
  134 1.09 11
  135 25.84 258
  136 2.58 26
  137 1.26 13
  138 2.29 23
  139 1.61 16
  140 2.76 28
  141 1.51 15
  142 2.55 26
  144 1.5 15
  146 1.47 15
  147 5.66 57
  149 15.01 150
  150 3.96 40
  151 10.21 102
  152 2.43 24
  153 3.21 32
  154 2.12 21
  159 5.15 52
  160 1.24 12
  161 1.3 13
  162 8.33 83
  163 3.29 33
  164 1.7 17
  165 1.96 20
  166 1.37 14
  168 1.84 18
  176 4.28 43
  178 1.54 15
  179 3.41 34
  180 2.26 23
  181 1.92 19
  182 1.34 13
  190 1.77 18
  191 1.22 12
  194 1.29 13
  206 1.37 14
  208 1.02 10
  233 1.03 10
  235 1.61 16
  249 4.16 42
  251 3.79 38
  252 1.04 10
//