ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005387
RECORD_TITLE: (Z,Z)-3,6-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$NAME: (Z,Z)-3,6-DODECADIEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O
CH$EXACT_MASS: 182.16707
CH$SMILES: CCCCCC([H])=C([H])CC([H])=C([H])CCO
CH$IUPAC: InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,9-10,13H,2-5,8,11-12H2,1H3/b7-6-,10-9-
CH$LINK: INCHIKEY WVTVMLXNKUWGBH-HZJYTTRNSA-N

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$SPLASH: splash10-055g-9200000000-06cc02c56aa3ba2ccf68
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  43 6.9 69
  44 21.4 214
  45 3.4 34
  46 0.59 6
  54 23.4 234
  55 51.3 513
  56 10.6 106
  57 1.46 15
  58 2.8 28
  59 1.7 17
  66 9.5 95
  67 8.65 87
  68 48.4 484
  69 25.4 254
  70 27.2 272
  71 1.02 10
  72 2.3 23
  73 2.5 25
  77 3.7 37
  78 0.42 4
  79 99.99 999
  80 49.9 499
  81 59 590
  82 3.09 31
  83 22.5 225
  84 18.7 187
  85 3.1 31
  86 0.19 2
  87 3.1 31
  88 1.8 18
  89 3.9 39
  91 1.47 15
  92 4.3 43
  93 74.1 741
  94 36.1 361
  95 3.7 37
  96 35.8 358
  97 32.1 321
  98 30.5 305
  99 0.28 3
  100 2.7 27
  103 2.1 21
  105 5.5 55
  106 0.13 1
  107 41 410
  108 14.1 141
  109 21.3 213
  110 1.27 13
  111 16.6 166
  112 16.6 166
  113 1.6 16
  114 0.37 4
  117 1.6 16
  119 1 10
  120 2.7 27
  121 3.61 36
  122 9.3 93
  123 6 60
  124 1.9 19
  125 0.46 5
  126 2.7 27
  127 1 10
  133 4 40
  135 1.88 19
  136 7 70
  137 2.2 22
  138 16.9 169
  139 0.49 5
  149 2.9 29
  150 1.6 16
  151 3.2 32
  153 0.17 2
  162 1.9 19
  163 1.1 11
  164 11.9 119
  165 0.11 1
  182 3.3 33
//