ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005382
RECORD_TITLE: 12-FLUORO-(Z)-3-DODECENYL 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$NAME: 12-FLUORO-(Z)-3-DODECENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H25FO2
CH$EXACT_MASS: 244.18386
CH$SMILES: FCCCCCCCCC([H])=C([H])CCOC(C)=O
CH$IUPAC: InChI=1S/C14H25FO2/c1-14(16)17-13-11-9-7-5-3-2-4-6-8-10-12-15/h7,9H,2-6,8,10-13H2,1H3/b9-7-
CH$LINK: INCHIKEY JYVIOFGAFDOEFQ-CLFYSBASSA-N
AC$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: splash10-066r-9000000000-dd455da3f74de86dec98
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  41 25.1 251
  42 4.4 44
  43 88.5 885
  44 5.24 52
  45 22.2 222
  46 83.6 836
  47 2.8 28
  48 0.93 9
  52 1.8 18
  53 1.1 11
  54 52.9 529
  55 99.99 999
  56 18 180
  57 26.7 267
  58 9.5 95
  59 1.79 18
  60 1.6 16
  61 4.9 49
  65 3.1 31
  66 0.58 6
  67 68 680
  68 82.7 827
  69 33.6 336
  70 0.94 9
  71 9.8 98
  72 6.1 61
  73 13.4 134
  74 0.25 3
  75 3.3 33
  77 2.5 25
  79 9.5 95
  80 0.32 3
  81 52.6 526
  82 34.2 342
  83 13.7 137
  84 0.28 3
  85 3.2 32
  86 3.6 36
  87 14.7 147
  88 0.75 8
  89 23.2 232
  90 1.2 12
  93 2.1 21
  94 0.38 4
  95 24.1 241
  96 12.8 128
  97 5.2 52
  98 0.12 1
  99 2.3 23
  100 2.3 23
  101 6 60
  102 0.45 5
  103 9.3 93
  107 1.4 14
  108 1.7 17
  109 1.11 11
  110 3.5 35
  111 1.2 12
  113 2.3 23
  114 0.51 5
  115 3.1 31
  116 2.1 21
  117 3.6 36
  119 0.13 1
  121 1.6 16
  123 3.9 39
  127 2.6 26
  128 0.58 6
  129 1.8 18
  130 1.5 15
  131 4.1 41
  132 0.18 2
  133 12.1 121
  134 1.3 13
  141 2.7 27
  142 0.52 5
  145 1.1 11
  147 2.9 29
  155 2.8 28
  156 0.53 5
  163 1.2 12
  175 1.9 19
  177 2.5 25
  183 0.17 2
  184 11.2 112
  185 1.4 14
//
