ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005372
RECORD_TITLE: (Z,Z)-7,11-HEXADECADIENYL ACETATE; 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$NAME: (Z,Z)-7,11-HEXADECADIENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₂O₂
CH$EXACT_MASS: 280.24023
CH$SMILES: CCCCC([H])=C([H])CCC([H])=C([H])CCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7,10-11H,3-5,8-9,12-17H2,1-2H3/b7-6-,11-10-
CH$LINK: INCHIKEY BXJHOKLLMOYSRQ-QOXWLJPHSA-N
CH$LINK: COMPTOX DTXSID9035751

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$SPLASH: splash10-05nb-9100000000-c8f5884f5fd76e9cc769
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  41 9.4 94
  42 2 20
  43 44.5 445
  44 9.27 93
  45 16.7 167
  46 77.6 776
  47 1.9 19
  54 2.95 30
  55 99.99 999
  56 8 80
  57 9.4 94
  58 0.82 8
  59 11.5 115
  60 1 10
  61 6.8 68
  65 0.22 2
  66 3.5 35
  67 44.9 449
  68 18.6 186
  69 1.91 19
  70 4.2 42
  71 4.9 49
  72 4.3 43
  73 1.1 11
  75 1.8 18
  77 3 30
  78 1.3 13
  79 1.1 11
  80 8.8 88
  81 45.7 457
  82 27.1 271
  83 1.06 11
  84 1.6 16
  85 1.6 16
  86 3.3 33
  87 0.95 10
  88 3.6 36
  89 15.6 156
  91 2.2 22
  92 0.13 1
  93 7.9 79
  94 6.2 62
  95 20 200
  96 2.37 24
  97 12.5 125
  98 1.5 15
  99 2.8 28
  101 0.36 4
  102 3.2 32
  103 7.2 72
  105 1.1 11
  106 0.1 1
  107 6.3 63
  109 8 80
  110 8.5 85
  111 0.21 2
  115 1.2 12
  117 2.3 23
  119 1.2 12
  120 0.15 2
  121 8.9 89
  122 6.5 65
  123 8.7 87
  124 0.78 8
  125 1.4 14
  131 2.3 23
  132 1.4 14
  133 0.66 7
  134 1.3 13
  135 6 60
  136 4.6 46
  137 0.45 5
  138 3.8 38
  147 2.6 26
  148 1.3 13
  149 0.6 6
  150 2.9 29
  151 1.5 15
  152 1.3 13
  163 0.38 4
  164 1.8 18
  177 2.4 24
  220 3.3 33
//