ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008377
RECORD_TITLE: NEROL; 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$NAME: NEROL
CH$NAME: (Z)-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-YFHOEESVSA-N
CH$LINK: COMPTOX DTXSID3026728

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$SPLASH: splash10-014l-9000000000-41e0055b618413366b81
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  18 1.12 11
  27 13.72 137
  28 2.09 21
  29 13.12 131
  31 4.14 41
  39 21.58 216
  40 4.25 43
  41 82.45 825
  42 5.35 54
  43 7.97 80
  51 3.36 34
  52 1.54 15
  53 13.17 132
  54 1.6 16
  55 9.44 94
  56 2.98 30
  57 3.23 32
  59 1.2 12
  65 2.08 21
  67 11.75 118
  68 19.53 195
  69 99.99 999
  70 7.58 76
  71 7.22 72
  77 3.42 34
  79 4.08 41
  80 8.36 84
  81 4.74 47
  82 1.26 13
  83 7.67 77
  84 13.43 134
  85 1.83 18
  91 3.2 32
  92 3.33 33
  93 19.27 193
  94 2.53 25
  95 1.83 18
  96 1.31 13
  97 4.73 47
  98 1.29 13
  107 1.9 19
  111 4.56 46
  121 6.71 67
  123 5.21 52
  136 2.79 28
  139 1.77 18
  154 2.95 30
//