ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011800
RECORD_TITLE: 2,5-DIFLUOROTOLUENE; 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$NAME: 2,5-DIFLUOROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆F₂
CH$EXACT_MASS: 128.04376
CH$SMILES: Fc(c1)cc(C)c(F)c1
CH$IUPAC: InChI=1S/C7H6F2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
CH$LINK: INCHIKEY YSNVKDGEALPJGC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10196423

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$SPLASH: splash10-004i-4900000000-1100881ce8d2185d8e26
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  26 1.21 12
  27 1.48 15
  31 6.21 62
  33 1.26 13
  37 2.03 20
  38 2.97 30
  39 4.55 46
  44 2.42 24
  50 5.73 57
  51 7.46 75
  54 1.71 17
  56 2.32 23
  57 10.81 108
  61 2.98 30
  62 4 40
  63 6.2 62
  64 2.21 22
  68 1.98 20
  69 1.81 18
  70 1.45 15
  74 2.68 27
  75 6.47 65
  76 1.31 13
  77 3.72 37
  78 1.18 12
  80 1.42 14
  81 6.62 66
  82 1.21 12
  83 3.21 32
  85 1.14 11
  86 1.2 12
  87 1.05 11
  99 1.37 14
  101 12.11 121
  105 1.19 12
  107 9.05 91
  108 2.18 22
  109 6.45 65
  125 3.89 39
  126 4.35 44
  127 99.99 999
  128 61.85 619
  129 4.44 44
//