ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011779
RECORD_TITLE: META-FLUOROPHENOL; 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$NAME: META-FLUOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅FO
CH$EXACT_MASS: 112.03244
CH$SMILES: Oc(c1)cc(F)cc1
CH$IUPAC: InChI=1S/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8H
CH$LINK: INCHIKEY SJTBRFHBXDZMPS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70190684

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$SPLASH: splash10-03e9-9100000000-aa539782382a8695d6e2
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  26 4.27 43
  27 5.15 52
  29 12.55 126
  31 13.29 133
  33 2.72 27
  36 2.44 24
  37 12.07 121
  38 17.23 172
  39 23.56 236
  40 1.84 18
  41 1.5 15
  42 2.04 20
  48 4.51 45
  49 15.58 156
  50 8.07 81
  51 1.77 18
  52 8.55 86
  54 3.78 38
  55 8.15 82
  56 45.61 456
  57 7.38 74
  59 2.1 21
  60 12.91 129
  61 16.91 169
  63 33.64 336
  64 35.91 359
  65 8.66 87
  66 3.83 38
  68 5 50
  69 3.96 40
  70 2.42 24
  73 9.45 95
  74 4.73 47
  75 6.89 69
  79 1.76 18
  80 11.3 113
  82 5.06 51
  83 71.83 718
  84 66.64 666
  85 2.98 30
  92 1.73 17
  94 3.89 39
  95 1.5 15
  96 1.29 13
  111 2.3 23
  112 99.99 999
  113 4.6 46
//