ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006927
RECORD_TITLE: LAVANDULOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: LAVANDULOL
CH$NAME: 5-METHYL-2-(1-METHYLETHENYL)-4-HEXEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: OCC(CC=C(C)C)C(C)=C
CH$IUPAC: InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3
CH$LINK: INCHIKEY CZVXBFUKBZRMKR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70866690

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$SPLASH: splash10-014l-9100000000-5dff60fa1c2b4a4aa1bf
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  18 1.25 13
  27 11.73 117
  28 2.87 29
  29 12.01 120
  31 10.45 105
  39 20.68 207
  40 3.62 36
  41 73.69 737
  42 4.25 43
  43 8.79 88
  51 2.88 29
  52 1.56 16
  53 12.8 128
  54 1.32 13
  55 9.88 99
  56 1.96 20
  57 2.83 28
  65 3.51 35
  66 1.5 15
  67 14.33 143
  68 21.25 213
  69 99.99 999
  70 7.72 77
  71 6.1 61
  77 6.19 62
  78 1.13 11
  79 7.18 72
  80 2.38 24
  81 10.47 105
  82 1.28 13
  83 2.63 26
  84 4.32 43
  85 2.61 26
  91 6.58 66
  92 1.75 18
  93 17.03 170
  94 1.96 20
  95 2 20
  105 1.8 18
  107 3.31 33
  109 1.95 20
  110 2.28 23
  111 24.92 249
  112 1.76 18
  121 6.08 61
  122 1.02 10
  123 9.93 99
  124 1.69 17
  136 1.39 14
//