ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008376
RECORD_TITLE: LINALOOL; 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$NAME: LINALOOL
CH$NAME: 3,7-DIMETHYL-1,6-OCTADIEN-3-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(C)=CCCC(C)(O)C=C
CH$IUPAC: InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
CH$LINK: COMPTOX DTXSID7025502
CH$LINK: INCHIKEY CDOSHBSSFJOMGT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6549

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$SPLASH: splash10-006x-9000000000-fe642a5570c732aea8de
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  15 2 20
  18 1.15 12
  26 1.04 10
  27 21.16 212
  28 3.01 30
  29 10.19 102
  31 2.24 22
  39 22.09 221
  40 4.97 50
  41 63.43 634
  42 5.86 59
  43 58.84 588
  44 1.63 16
  45 1.58 16
  51 3.62 36
  52 1.45 15
  53 13.41 134
  54 2.5 25
  55 46.66 467
  56 9.02 90
  57 3.48 35
  58 2.51 25
  59 3.42 34
  65 3.06 31
  66 1.17 12
  67 15.88 159
  68 12.86 129
  69 40.64 406
  70 5 50
  71 99.99 999
  72 7.53 75
  77 4.19 42
  79 8.08 81
  80 26.17 262
  81 10.85 109
  82 5.73 57
  83 16.15 162
  84 4.3 43
  85 1.36 14
  86 1.62 16
  91 4.76 48
  92 11.35 114
  93 61.4 614
  94 8.79 88
  95 2.72 27
  96 7.47 75
  97 1.96 20
  105 3.07 31
  107 5.78 58
  108 1.34 13
  109 5.02 50
  111 2.96 30
  121 19.93 199
  122 1.59 16
  136 8.77 88
  137 1.04 10
  139 2.18 22
//