ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008375
RECORD_TITLE: GERANIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: GERANIOL
CH$NAME: 3,7-DIMETHYL-2,6-OCTADIEN-1-OL
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-014l-9000000000-2bce8c0905dd12aa5dac
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  18 1.09 11
  27 10.13 101
  28 1.33 13
  29 10.82 108
  31 3.41 34
  39 16.64 166
  40 3.27 33
  41 69.45 695
  42 4.22 42
  43 5.7 57
  51 2.68 27
  52 1.15 12
  53 10.05 101
  54 1.33 13
  55 7.82 78
  56 1.47 15
  57 4.12 41
  59 2.49 25
  65 1.92 19
  66 1 10
  67 9.88 99
  68 19.67 197
  69 99.99 999
  70 8 80
  71 6.66 67
  77 2.36 24
  79 2.52 25
  80 4.01 40
  81 4.16 42
  83 3.7 37
  84 6.5 65
  85 1.53 15
  91 1.71 17
  92 1.59 16
  93 8.67 87
  94 1.3 13
  95 1.37 14
  96 2.25 23
  97 1.29 13
  107 1.29 13
  111 5.04 50
  121 3.55 36
  123 9.19 92
  136 2.89 29
  139 1.3 13
  154 2.34 23
//