ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003743
RECORD_TITLE: 4-FLUOROACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 4-FLUOROACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7FO
CH$EXACT_MASS: 138.04809
CH$SMILES: CC(=O)c(c1)ccc(F)c1
CH$IUPAC: InChI=1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
CH$LINK: INCHIKEY ZDPAWHACYDRYIW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0059952
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00dj-9700000000-1cb61a673da40bdaaef7
PK$NUM_PEAK: 96
PK$PEAK: m/z int. rel.int.
  12 0.5 5
  13 0.8 8
  14 2.8 28
  15 0.91 9
  16 0.2 2
  17 0.1 1
  18 0.5 5
  20 0.01 0
  24 0.1 1
  25 0.2 2
  26 1 10
  27 0.14 1
  28 4.7 47
  29 0.5 5
  31 1.8 18
  32 0.08 1
  36 0.2 2
  37 1.8 18
  38 2.1 21
  39 0.32 3
  40 0.1 1
  41 0.3 3
  42 2.6 26
  43 1.71 17
  44 0.7 7
  45 0.7 7
  46 0.1 1
  47 0.02 0
  48 0.4 4
  49 1.8 18
  50 9.3 93
  51 0.52 5
  52 0.8 8
  53 0.7 7
  54 0.1 1
  55 0.03 0
  56 1 10
  57 4.2 42
  58 0.1 1
  60 0.02 0
  61 1 10
  62 1.5 15
  63 2.1 21
  64 0.04 0
  65 0.5 5
  66 0.1 1
  67 0.1 1
  68 0.35 4
  69 6.2 62
  70 1.2 12
  71 0.1 1
  72 0.02 0
  73 1.8 18
  74 7.7 77
  75 21.2 212
  76 0.07 1
  77 1.3 13
  78 1 10
  79 0.3 3
  80 0.04 0
  81 1.5 15
  82 0.3 3
  83 1.9 19
  84 0.02 0
  85 0.5 5
  86 0.5 5
  87 0.4 4
  88 0.01 0
  89 0.5 5
  90 0.1 1
  91 0.7 7
  92 0.01 0
  93 1.2 12
  94 4 40
  95 57.8 578
  96 0.57 6
  101 0.3 3
  102 0.5 5
  103 0.2 2
  104 0.04 0
  105 1.2 12
  106 0.5 5
  107 1.3 13
  108 0.02 0
  109 0.4 4
  110 0.5 5
  117 0.1 1
  118 0.01 0
  119 0.2 2
  120 1.8 18
  121 0.5 5
  122 0.05 1
  123 99.99 999
  136 0.1 1
  137 0.1 1
  138 22.5 225
//
