ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007633
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 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-015c-9200000000-eea073073c86ea4d9a38
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  41 11.1 111
  43 2.3 23
  55 2.5 25
  56 0.23 2
  57 2.4 24
  59 5.1 51
  67 4.8 48
  68 2.28 23
  69 99.99 999
  70 7.9 79
  71 7.5 75
  72 0.35 4
  79 2.6 26
  80 26.7 267
  81 8.4 84
  82 0.21 2
  83 7.1 71
  84 33.1 331
  85 4.3 43
  91 0.11 1
  92 11.9 119
  93 47.8 478
  94 9.4 94
  107 0.49 5
  108 1.9 19
  109 3.1 31
  110 4.1 41
  111 1.56 16
  112 4.3 43
  121 19.5 195
  136 13.5 135
  137 0.19 2
  139 9.3 93
  154 8.4 84
//