ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001619
RECORD_TITLE: 3-NITRODIPHENYL; 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$NAME: 3-NITRODIPHENYL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₉NO₂
CH$EXACT_MASS: 199.06333
CH$SMILES: [O-1][N+1](=O)c(c2)cc(cc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H9NO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
CH$LINK: INCHIKEY FYRPEHRWMVMHQM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00175363

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-0udj-3900000000-b1df2107ea7960fc450b
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  40 1.34 13
  43 5.31 53
  44 12.46 125
  50 7.39 74
  51 13.2 132
  52 2.26 23
  58 1.4 14
  62 3.05 31
  63 12.22 122
  64 1.1 11
  74 4.7 47
  75 9.04 90
  76 24.81 248
  77 10.26 103
  78 1.16 12
  86 1.22 12
  87 1.83 18
  89 1.46 15
  98 1.22 12
  99 1.65 17
  100 1.22 12
  101 2.26 23
  102 2.81 28
  115 5.92 59
  125 1.22 12
  126 6.35 64
  127 9.22 92
  128 1.16 12
  139 1.58 16
  141 9.16 92
  142 1.34 13
  150 6.29 63
  151 22.79 228
  152 86 860
  153 62.83 628
  154 7.94 79
  173 1.46 15
  183 1.46 15
  198 2.26 23
  199 99.99 999
  200 13.56 136
  201 1.22 12
//