ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011776
RECORD_TITLE: 1,3-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$NAME: 1,3-DIFLUOROBENZENE
CH$NAME: META-DIFLUOROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄F₂
CH$EXACT_MASS: 114.02811
CH$SMILES: Fc(c1)cc(F)cc1
CH$IUPAC: InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H
CH$LINK: INCHIKEY UEMGWPRHOOEKTA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50190682

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$SPLASH: splash10-03di-9800000000-e82b87974f5f1f5a434f
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  31 4.41 44
  37 2.81 28
  38 2.91 29
  39 1.88 19
  49 1.5 15
  50 7.92 79
  51 2.2 22
  56 1.87 19
  57 8.44 84
  61 3.01 30
  62 3.64 36
  63 20.88 209
  64 3.15 32
  68 5.27 53
  69 3.3 33
  70 3.51 35
  73 1.22 12
  74 4.09 41
  75 6.42 64
  81 4.47 45
  83 1.52 15
  88 12.86 129
  92 1.46 15
  93 2.13 21
  94 5.81 58
  95 2.92 29
  113 3.72 37
  114 99.99 999
  115 6.16 62
//