ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005367
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0159-9300000000-8601dde4fb5424566eef
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  43 5.6 56
  44 8.9 89
  45 14.2 142
  56 0.2 2
  57 4.3 43
  58 8.6 86
  59 10.7 107
  60 0.12 1
  66 3.8 38
  67 41.9 419
  68 99.99 999
  69 0.97 10
  70 5.1 51
  71 4.8 48
  72 8 80
  73 2.81 28
  74 1.4 14
  75 2 20
  77 1.2 12
  78 0.14 1
  79 26.4 264
  80 11.9 119
  81 62 620
  82 2.72 27
  83 5.1 51
  84 2.4 24
  85 1.9 19
  86 0.32 3
  87 14 140
  88 6.5 65
  89 25.8 258
  90 0.13 1
  91 1.4 14
  93 15.6 156
  94 12.5 125
  95 1.58 16
  96 15.3 153
  97 5 50
  98 6.7 67
  99 0.17 2
  100 2.1 21
  101 4.8 48
  102 3.7 37
  103 1 10
  105 1.3 13
  106 2.2 22
  107 10.7 107
  108 0.64 6
  109 7.2 72
  110 2.9 29
  111 4 40
  112 0.26 3
  114 1.2 12
  115 1.4 14
  116 1.8 18
  117 0.53 5
  119 1.8 18
  120 3.1 31
  121 15.7 157
  122 0.57 6
  123 2.6 26
  125 1.2 12
  130 1.3 13
  131 0.57 6
  132 3.8 38
  133 16.6 166
  134 2.6 26
  135 1.08 11
  136 2.5 25
  138 1.7 17
  147 3.1 31
  149 0.14 1
  151 1 10
  161 2 20
  163 3.6 36
  164 1.65 17
  165 2.6 26
  175 3 30
  177 3.6 36
  181 0.73 7
  182 39.8 398
  183 5.2 52
//