ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001618
RECORD_TITLE: 2-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$NAME: 2-NITRODIPHENYL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H9NO2
CH$EXACT_MASS: 199.06333
CH$SMILES: [O-1][N+1](=O)c(c2)c(ccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
CH$LINK: INCHIKEY YOJKKXRJMXIKSR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9025746
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$SPLASH: splash10-0udi-6900000000-aa6e6064cecf88ebcf97
PK$NUM_PEAK: 93
PK$PEAK: m/z int. rel.int.
  40 6.17 62
  41 3.72 37
  43 2.05 21
  44 3.03 30
  46 6.07 61
  49 3.81 38
  50 53.47 535
  51 69.34 693
  52 15.67 157
  53 11.75 118
  54 1.07 11
  55 4.6 46
  57 2.74 27
  58 4.4 44
  59 1.66 17
  61 6.95 70
  62 24.87 249
  63 58.17 582
  64 11.16 112
  65 9.69 97
  66 1.37 14
  68 1.86 19
  69 1.76 18
  70 2.44 24
  72 1.07 11
  73 4.21 42
  74 31.83 318
  75 40.64 406
  76 58.76 588
  77 34.47 345
  78 6.56 66
  79 1.07 11
  81 2.44 24
  85 3.42 34
  86 10.57 106
  87 14.98 150
  88 6.85 69
  89 13.02 130
  90 9.3 93
  91 5.68 57
  92 2.84 28
  98 8.42 84
  99 6.26 63
  100 4.3 43
  101 9.3 93
  102 12.63 126
  103 4.5 45
  104 4.7 47
  110 1.95 20
  111 2.15 22
  113 6.75 68
  114 8.32 83
  115 97.64 976
  116 30.26 303
  117 24.38 244
  118 2.93 29
  122 1.17 12
  125 4.21 42
  126 23.89 239
  127 21.25 213
  128 15.57 156
  129 16.25 163
  130 6.36 64
  138 1.56 16
  139 16.84 168
  140 7.93 79
  141 24.19 242
  142 26.15 262
  143 43.87 439
  144 11.16 112
  145 1.95 20
  146 3.23 32
  149 1.95 20
  150 18.02 180
  151 46.13 461
  152 99.99 999
  153 19.78 198
  154 25.85 259
  155 4.4 44
  156 1.37 14
  166 5.38 54
  167 2.25 23
  168 9.2 92
  169 6.46 65
  170 20.86 209
  171 50.44 504
  172 7.05 71
  181 2.84 28
  182 33.59 336
  183 5.87 59
  198 5.58 56
  199 27.61 276
  200 4.11 41
//
