ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003273
RECORD_TITLE: 2,4-DINITROFLUOROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 2,4-DINITROFLUOROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₃FN₂O₄
CH$EXACT_MASS: 186.00768
CH$SMILES: [O-1][N+1](=O)c(c1)cc([N+1]([O-1])=O)c(F)c1
CH$IUPAC: InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
CH$LINK: INCHIKEY LOTKRQAVGJMPNV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8025331

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9200000000-f211c2788c2137755004
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  44 78.7 787
  46 6.3 63
  50 29.4 294
  51 3.9 39
  52 5.5 55
  61 5.9 59
  62 6.9 69
  63 16.5 165
  64 2.3 23
  68 24.6 246
  73 1.7 17
  74 20 200
  75 8.9 89
  76 7.5 75
  79 1.9 19
  81 11.7 117
  82 25.4 254
  83 7.5 75
  90 5.7 57
  92 3.7 37
  93 40.3 403
  94 99.99 999
  95 8.3 83
  96 3.5 35
  98 5.9 59
  99 3.3 33
  107 9.5 95
  109 1.7 17
  110 14.5 145
  124 3.7 37
  125 3.3 33
  126 6.5 65
  140 8.1 81
  156 9.9 99
  170 6.9 69
  186 68.9 689
  187 5.5 55
//