ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007954
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL BENZOATE; 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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL BENZOATE
CH$NAME: GERANYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₂O₂
CH$EXACT_MASS: 258.16198
CH$SMILES: CC(C)=CCCC(C)=C([H])COC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12+
CH$LINK: INCHIKEY YDVXYTIIPGKIJP-NTCAYCPXSA-N

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$SPLASH: splash10-00di-3900000000-708e71e5538c14de5b0f
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  33 2.09 21
  39 1.82 18
  42 3.36 34
  45 1.35 14
  59 6.9 69
  60 2.59 26
  61 2.25 23
  69 3.04 30
  70 8.93 89
  71 5.84 58
  72 5.36 54
  73 6.74 67
  77 20.73 207
  78 1.87 19
  83 1.1 11
  84 6.45 65
  85 2 20
  91 2.45 25
  97 1.62 16
  101 1.24 12
  106 2.41 24
  107 1.03 10
  111 1.28 13
  114 1.17 12
  115 2.39 24
  118 1.73 17
  119 2.16 22
  120 1.15 12
  121 99.99 999
  122 8.16 82
  123 2.45 25
  124 3.13 31
  125 1.62 16
  130 0.96 10
  131 0.96 10
  132 1.98 20
  133 1.1 11
  134 8.59 86
  135 14.79 148
  136 11.18 112
  137 3.89 39
  140 2.3 23
  141 1.19 12
  144 1.69 17
  145 2.23 22
  146 1.55 16
  147 1.35 14
  148 3.6 36
  149 3.2 32
  150 5.57 56
  151 3.45 35
  152 0.99 10
  153 2.79 28
  154 1.93 19
  157 1.19 12
  160 1.26 13
  161 5.7 57
  162 6.45 65
  164 2.57 26
  165 2.09 21
  166 3.56 36
  167 1.6 16
  168 3.24 32
  176 2.68 27
  177 1.8 18
  179 1.75 18
  182 1.64 16
  186 1.03 10
  188 1.51 15
  189 1.24 12
  190 2.09 21
  193 1.17 12
  194 0.99 10
  196 1.39 14
  202 1.01 10
  204 1.1 11
  207 1.57 16
  210 1.51 15
  220 1.08 11
  237 1.24 12
  252 1.75 18
  272 1.01 10
  279 1.17 12
  298 1.75 18
  299 1.57 16
  300 3.22 32
  301 1.03 10
//