ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005386
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00kf-9100000000-5d764fe917ce70412659
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  40 1.1 11
  41 35.6 356
  42 6 60
  43 99.99 999
  44 51.6 516
  45 18.9 189
  46 90.8 908
  47 0.23 2
  51 1.2 12
  52 4.7 47
  53 3 30
  54 3.23 32
  55 87 870
  56 11.6 116
  57 18.1 181
  58 0.97 10
  59 15.1 151
  64 1 10
  65 11.2 112
  66 1.06 11
  67 97.5 975
  68 35.6 356
  69 23.1 231
  70 1.74 17
  71 8.4 84
  72 5.4 54
  73 10.9 109
  74 0.11 1
  75 2 20
  77 22.8 228
  78 6.2 62
  79 9.73 97
  80 31.8 318
  81 45.4 454
  82 17.2 172
  83 1.4 14
  84 8.9 89
  85 1.8 18
  86 3.7 37
  87 1.26 13
  88 4.4 44
  89 21.6 216
  90 3.1 31
  91 2.51 25
  92 5.9 59
  93 42.6 426
  94 16.8 168
  95 2.18 22
  96 16.3 163
  97 15.4 154
  98 12.8 128
  99 0.19 2
  100 1.7 17
  101 4 40
  102 3.2 32
  103 0.95 10
  104 1.1 11
  105 6.7 67
  106 2.5 25
  107 1.99 20
  108 6 60
  109 10.8 108
  110 5.3 53
  111 0.7 7
  112 6.3 63
  113 1.1 11
  114 1.9 19
  115 0.18 2
  116 1.1 11
  117 4 40
  119 1.8 18
  120 0.17 2
  121 14.6 146
  122 3.9 39
  123 2.6 26
  125 0.2 2
  126 1.1 11
  131 4 40
  132 1.6 16
  133 1.19 12
  134 1.2 12
  135 7.6 76
  136 2.2 22
  137 0.1 1
  138 6 60
  139 1.9 19
  147 3.2 32
  149 0.16 2
  151 1.3 13
  163 1 10
  164 3.9 39
  175 0.19 2
  177 2.5 25
  182 1.2 12
//