ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005515
RECORD_TITLE: (Z)-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$NAME: (Z)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL
CH$NAME: NEROL
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 106-25-2
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014l-9100000000-a5bdece739d0cb5bf629
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  29 2.4 24
  41 40.4 404
  42 2 20
  43 0.36 4
  53 1.2 12
  55 5 50
  56 2.6 26
  57 0.25 3
  59 2.8 28
  67 8.3 83
  68 19.8 198
  69 99.99 999
  70 7.3 73
  71 7.2 72
  72 1.7 17
  77 0.22 2
  79 3.4 34
  80 13.1 131
  81 6.6 66
  82 0.14 1
  83 6.6 66
  84 18.1 181
  85 2.6 26
  91 0.19 2
  92 5.7 57
  93 28.3 283
  94 5 50
  95 0.31 3
  107 3 30
  109 1.8 18
  110 1.7 17
  111 0.7 7
  112 1.7 17
  121 11 110
  122 1 10
  123 0.7 7
  136 5.9 59
  139 4 40
  154 3.9 39
//