ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011775
RECORD_TITLE: 1,2-DIFLUOROBENZENE; 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$NAME: 1,2-DIFLUOROBENZENE
CH$NAME: ORTHO-DIFLUOROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄F₂
CH$EXACT_MASS: 114.02811
CH$SMILES: Fc(c1)c(F)ccc1
CH$IUPAC: InChI=1S/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H
CH$LINK: INCHIKEY GOYDNIKZWGIXJT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2075390

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$SPLASH: splash10-03di-9200000000-a10128a6a1fbba03d510
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  26 7.71 77
  27 1.96 20
  31 38.7 387
  33 2.57 26
  36 5.85 59
  37 23.96 240
  38 18.28 183
  39 10.22 102
  44 4.19 42
  45 2.14 21
  48 2.69 27
  49 9.64 96
  50 29.33 293
  51 10.88 109
  55 2.21 22
  56 12.72 127
  57 20.97 210
  60 3.52 35
  61 15.26 153
  62 15.5 155
  63 49.15 492
  64 7.05 71
  68 16.94 169
  69 9.63 96
  70 6.34 63
  73 5.49 55
  74 15.26 153
  75 18.91 189
  76 1.38 14
  79 1.07 11
  80 2.1 21
  81 11.73 117
  82 1.66 17
  83 5.1 51
  87 2.42 24
  88 26.09 261
  92 3.83 38
  93 4.88 49
  94 14.72 147
  95 8.53 85
  99 1.24 12
  113 3.43 34
  114 99.99 999
  115 5.06 51
//