ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005792
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL; 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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL
CH$NAME: GERANIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: OCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
CH$LINK: CAS 106-24-1
CH$LINK: INCHIKEY GLZPCOQZEFWAFX-JXMROGBWSA-N
CH$LINK: COMPTOX DTXSID8026727

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$SPLASH: splash10-00kf-9200000000-4a8a23071f388f446451
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  51 4.08 41
  52 2.42 24
  53 9.53 95
  54 1.04 10
  55 8.6 86
  57 0.96 10
  59 1.61 16
  63 1.09 11
  65 4.25 43
  66 1.63 16
  67 17.68 177
  68 25.32 253
  69 55.7 557
  70 4.06 41
  71 4.82 48
  77 20.58 206
  78 3.16 32
  79 22.17 222
  80 17.59 176
  81 7.9 79
  82 1.37 14
  83 1.79 18
  84 3.14 31
  91 23.85 239
  92 17.39 174
  93 99.99 999
  94 12.55 126
  95 2.72 27
  96 1.74 17
  97 1 10
  103 1.48 15
  105 8.64 86
  106 2.81 28
  107 8.05 81
  108 1.85 19
  109 1.17 12
  111 2.16 22
  115 0.96 10
  117 1.11 11
  119 3.33 33
  121 25.86 259
  122 3.03 30
  123 2.99 30
  136 22.78 228
  137 2.61 26
  154 0.98 10
//