ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005366
RECORD_TITLE: (E,E)-8,10-DODECADIEN-1-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: (E,E)-8,10-DODECADIEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O
CH$EXACT_MASS: 182.16707
CH$SMILES: OCCCCCCCC([H])=C([H])C([H])=C([H])C
CH$IUPAC: InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+
CH$LINK: INCHIKEY CSWBSLXBXRFNST-MQQKCMAXSA-N
CH$LINK: COMPTOX DTXSID1035288

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0002-9100000000-8c375351e5cf881ff389
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  41 14.8 148
  42 3.6 36
  43 42.1 421
  44 2.34 23
  45 16 160
  46 99.99 999
  47 2.6 26
  52 0.23 2
  53 1.6 16
  54 15.7 157
  55 23.7 237
  56 0.25 3
  57 5.9 59
  58 8.2 82
  59 12.9 129
  60 0.13 1
  65 4 40
  66 4.6 46
  67 36.1 361
  68 5.86 59
  69 7.8 78
  70 3.5 35
  71 3.5 35
  72 0.39 4
  73 28.1 281
  74 1.3 13
  75 2.1 21
  77 0.63 6
  78 1.8 18
  79 31.6 316
  80 8.5 85
  81 4.58 46
  82 14 140
  83 3 30
  84 1.3 13
  86 0.19 2
  87 8.8 88
  88 3.5 35
  89 15.8 158
  91 0.29 3
  92 1.6 16
  93 8.8 88
  94 6.7 67
  95 0.87 9
  96 7 70
  97 2.5 25
  98 2.8 28
  101 0.28 3
  102 2.1 21
  103 6.1 61
  105 1.1 11
  107 0.51 5
  108 2.7 27
  109 3.4 34
  110 1.3 13
  111 0.16 2
  117 2.4 24
  119 1.3 13
  121 5.8 58
  122 0.2 2
  123 1.1 11
  131 2.3 23
  133 5.9 59
  135 0.37 4
  136 1 10
  147 1.3 13
  149 1.2 12
  164 0.36 4
  177 1 10
  181 1.3 13
  182 10.5 105
  183 1.4 14
//