ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000121
RECORD_TITLE: 3,7-DIMETHYL-2,6-OCTADIEN-1-OL(CIS); 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$NAME: 3,7-DIMETHYL-2,6-OCTADIEN-1-OL(CIS)
CH$NAME: NEROL
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-YFHOEESVSA-N
CH$LINK: COMPTOX DTXSID3026728

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$SPLASH: splash10-014l-9000000000-8132ea67e057a3dd9c80
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  27 14.6 146
  28 2 20
  29 13.8 138
  31 3.3 33
  39 21.6 216
  40 4.3 43
  41 96.4 964
  42 5.4 54
  43 6.9 69
  44 0.7 7
  50 0.8 8
  51 3.3 33
  52 1.4 14
  53 12.5 125
  54 1.6 16
  55 10.7 107
  56 3.3 33
  57 3 30
  59 2 20
  63 0.7 7
  65 2.8 28
  66 1.1 11
  67 13.8 138
  68 20.4 204
  69 99.99 999
  70 7.5 75
  71 7.5 75
  72 2.4 24
  77 4.3 43
  78 0.7 7
  79 5.4 54
  80 9.2 92
  81 6.2 62
  82 7.3 73
  83 13.9 139
  84 2.1 21
  91 4.1 41
  92 3.9 39
  93 21 210
  94 3.4 34
  95 2.6 26
  96 1.8 18
  97 4.3 43
  98 1.7 17
  105 1.6 16
  107 2.7 27
  109 1.5 15
  110 1.1 11
  111 4.6 46
  112 0.9 9
  121 8 80
  122 0.7 7
  123 5 50
  136 4.1 41
  139 2.3 23
  154 3.6 36
//