ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010460
RECORD_TITLE: PARA-ANISOYL FLUORIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PARA-ANISOYL FLUORIDE
CH$NAME: 4-METHOXYBENZOYL FLUORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇FO₂
CH$EXACT_MASS: 154.04301
CH$SMILES: COc(c1)ccc(c1)C(=O)F
CH$IUPAC: InChI=1S/C8H7FO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
CH$LINK: INCHIKEY YVFLMEGQPCRTTO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00455692

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0w59-9600000000-ec140d284f8dd3de0450
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  27 1.39 14
  29 6.8 68
  31 2.86 29
  37 4.85 49
  38 10.55 106
  39 6.04 60
  40 3.88 39
  41 1.14 11
  47 2.89 29
  49 2.21 22
  50 16.75 168
  51 7.78 78
  52 1.52 15
  53 4.8 48
  56 2.19 22
  57 23.38 234
  58 1.14 11
  61 5.9 59
  62 14.61 146
  63 31.28 313
  64 13.44 134
  65 2.3 23
  66 2.08 21
  68 2.2 22
  69 4.47 45
  70 1.89 19
  73 4.53 45
  74 12.89 129
  75 22.02 220
  76 7.17 72
  77 16.69 167
  78 3.37 34
  79 3.57 36
  81 4.44 44
  82 4.82 48
  83 66.96 670
  84 4.6 46
  92 12.78 128
  94 1.99 20
  95 12.46 125
  96 21.18 212
  97 7.37 74
  98 1.43 14
  104 2.1 21
  105 6.07 61
  106 3.48 35
  107 7.17 72
  111 48.3 483
  112 3.85 39
  119 1.19 12
  120 1.19 12
  123 9.73 97
  124 2.17 22
  125 1.26 13
  126 53.09 531
  127 4.42 44
  135 27.38 274
  136 2.6 26
  139 1.09 11
  152 1.24 12
  153 3.2 32
  154 99.99 999
  155 10 100
  156 1.23 12
//