ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011768
RECORD_TITLE: ORTHO-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$NAME: ORTHO-FLUOROPHENOL
CH$NAME: 2-FLUOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅FO
CH$EXACT_MASS: 112.03244
CH$SMILES: Oc(c1)c(F)ccc1
CH$IUPAC: InChI=1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H
CH$LINK: COMPTOX DTXSID0047745
CH$LINK: INCHIKEY HFHFGHLXUCOHLN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9707

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$SPLASH: splash10-03di-9200000000-26c5660c866c158228f0
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  26 3.13 31
  27 3.05 31
  29 6.05 61
  31 10.34 103
  33 1.34 13
  37 7.94 79
  38 14.13 141
  39 14.48 145
  40 1.34 13
  41 1.15 12
  42 1.97 20
  43 8.31 83
  44 1.57 16
  45 3.01 30
  49 3.64 36
  50 10.71 107
  51 6.99 70
  52 1.56 16
  53 10.02 100
  55 4.01 40
  56 17.44 174
  57 41.96 420
  58 7.37 74
  60 2.04 20
  61 9.04 90
  62 13.14 131
  63 52.93 529
  64 67.8 678
  65 11.06 111
  66 3.36 34
  68 4.22 42
  69 3.44 34
  70 1.56 16
  71 1.02 10
  73 6.87 69
  74 4.72 47
  75 4.93 49
  76 1.72 17
  77 1.13 11
  79 1.45 15
  80 2.4 24
  81 12.43 124
  82 5.22 52
  83 49.65 497
  84 9.23 92
  86 1.15 12
  91 1.34 13
  92 43.6 436
  93 4.04 40
  94 2.17 22
  95 1.38 14
  110 1.43 14
  111 5.58 56
  112 99.99 999
  113 23.18 232
//