ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005514
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: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-9100000000-3a5359aae818f9966cbd
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  28 1 10
  29 2.5 25
  41 34.8 348
  42 0.18 2
  43 2.3 23
  53 1.1 11
  55 3.9 39
  56 0.15 2
  57 3.5 35
  59 3.4 34
  67 5.6 56
  68 2.01 20
  69 99.99 999
  70 7.1 71
  71 6 60
  72 0.11 1
  78 0.6 6
  79 1.9 19
  80 6.6 66
  81 0.52 5
  82 1.1 11
  83 2.5 25
  84 8.3 83
  85 0.2 2
  86 0.4 4
  91 1.1 11
  92 3.4 34
  93 1.61 16
  94 2.7 27
  95 1.9 19
  96 3.3 33
  97 0.16 2
  98 1.4 14
  105 0.6 6
  107 1.8 18
  108 0.07 1
  109 1.3 13
  110 1.3 13
  111 6.6 66
  112 0.13 1
  121 5.7 57
  122 0.6 6
  123 10.3 103
  136 0.41 4
  137 0.5 5
  139 2.2 22
  154 2.6 26
//