ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001622
RECORD_TITLE: 1,5-DINITRONAPHTHALENE; 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$NAME: 1,5-DINITRONAPHTHALENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H6N2O4
CH$EXACT_MASS: 218.03276
CH$SMILES: [O-1][N+1](=O)c(c2)c(c1)c(cc2)c(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C10H6N2O4/c13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16/h1-6H
CH$LINK: CAS 605-71-0
CH$LINK: INCHIKEY ZUTCJXFCHHDFJS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4025165
AC$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: splash10-01t9-9700000000-5ee3a1488f1312722390
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  45 1.4 14
  46 25.89 259
  49 3.1 31
  50 39.19 392
  51 27.06 271
  54 1.11 11
  55 4.15 42
  60 2.63 26
  61 11.01 110
  62 30.34 303
  63 58.11 581
  64 11.59 116
  65 3.98 40
  66 1.05 11
  73 4.97 50
  74 56.79 568
  75 59.98 600
  76 54.07 541
  77 21.2 212
  78 3.69 37
  79 1.11 11
  85 3.92 39
  86 13.88 139
  87 24.42 244
  88 32.8 328
  89 47.8 478
  90 15.64 156
  91 10.66 107
  92 2.4 24
  97 1.93 19
  98 15.52 155
  99 16.93 169
  100 16.98 170
  101 15.11 151
  102 42.7 427
  103 6.15 62
  104 20.44 204
  105 9.13 91
  106 1.52 15
  110 1.11 11
  111 1.75 18
  112 2.1 21
  113 33.91 339
  114 99.99 999
  115 10.95 110
  116 24.01 240
  117 5.09 51
  118 5.79 58
  119 23.72 237
  120 5.38 54
  121 1.34 13
  122 2.69 27
  125 10.54 105
  126 70.41 704
  127 8.72 87
  128 4.1 41
  129 4.56 46
  130 16.46 165
  131 2.34 23
  132 11.13 111
  133 1.81 18
  141 4.62 46
  142 8.08 81
  143 1.52 15
  144 2.75 28
  145 1.05 11
  146 2.1 21
  156 2.4 24
  157 1.64 16
  158 12.59 126
  159 2.63 26
  160 1.4 14
  172 2.16 22
  188 1.23 12
  202 1.34 13
  217 3.51 35
  218 49.38 494
  219 6.38 64
//
