ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000120
RECORD_TITLE: 3,7-DIMETHYL-2,6-OCTADIEN-1-OL(TRANS); 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$NAME: 3,7-DIMETHYL-2,6-OCTADIEN-1-OL(TRANS)
CH$NAME: GERANIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: OCC=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: 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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014l-9000000000-25934c23f4bc9ba87142
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  27 13.1 131
  28 4.1 41
  29 13.1 131
  31 3.1 31
  32 0.9 9
  38 0.6 6
  39 19.5 195
  40 3.6 36
  41 88.6 886
  42 4.8 48
  43 5.1 51
  44 0.6 6
  45 0.5 5
  50 0.8 8
  51 2.7 27
  52 1.2 12
  53 10.2 102
  54 1.3 13
  55 7.6 76
  56 2 20
  57 4 40
  59 2.3 23
  63 0.6 6
  65 2.2 22
  66 0.9 9
  67 10.8 108
  68 19 190
  69 99.99 999
  70 7.3 73
  71 6.4 64
  72 0.7 7
  77 3.1 31
  78 0.6 6
  79 3.5 35
  80 4.4 44
  81 4.9 49
  82 1 10
  83 3.2 32
  84 6.2 62
  85 1.7 17
  91 2.7 27
  92 2.3 23
  93 11.3 113
  94 1.9 19
  95 1.8 18
  96 2.1 21
  97 1.3 13
  98 0.8 8
  105 0.8 8
  107 1.5 15
  109 1 10
  110 0.8 8
  111 4.2 42
  112 0.7 7
  121 4 40
  123 7 70
  124 0.6 6
  136 2.9 29
  139 1.3 13
  154 2.3 23
//