ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003277
RECORD_TITLE: N-ETHYL-2,4-DINITROBENZENAMINE; 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$NAME: N-ETHYL-2,4-DINITROBENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₉N₃O₄
CH$EXACT_MASS: 211.05931
CH$SMILES: CCNc(c1)c([N+1]([O-1])=O)cc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H9N3O4/c1-2-9-7-4-3-6(10(12)13)5-8(7)11(14)15/h3-5,9H,2H2,1H3
CH$LINK: INCHIKEY YYOUTZBUOQBAAE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00191780

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$SPLASH: splash10-004i-7900000000-a1f62e87280502386bce
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  42 1.6 16
  43 10.3 103
  46 2.9 29
  50 7.6 76
  51 12.6 126
  52 15.2 152
  53 3.8 38
  61 4.2 42
  63 18.1 181
  64 13.3 133
  65 15.2 152
  66 11.3 113
  67 2.4 24
  74 5.5 55
  75 11.1 111
  76 16.8 168
  77 19.8 198
  78 99.99 999
  79 12.6 126
  80 7.9 79
  88 3.5 35
  89 5.9 59
  90 12.2 122
  91 24.6 246
  92 17 170
  93 11.1 111
  94 2.4 24
  102 3.3 33
  103 8.3 83
  104 26.5 265
  105 6.8 68
  106 8.7 87
  107 2.2 22
  108 5.5 55
  109 3.5 35
  111 3.3 33
  116 4 40
  117 15.7 157
  118 25.7 257
  119 16.1 161
  120 14.2 142
  121 9.2 92
  122 14.8 148
  123 3.3 33
  126 2.9 29
  130 3.3 33
  131 5.5 55
  132 8.5 85
  134 6.8 68
  137 3.7 37
  138 10.5 105
  146 3.3 33
  147 6.8 68
  148 3.1 31
  149 9.8 98
  150 16.1 161
  151 10 100
  152 3.7 37
  157 3.5 35
  163 3.5 35
  164 9.2 92
  166 16.1 161
  167 4.6 46
  176 8.3 83
  177 4.2 42
  178 3.5 35
  179 2.9 29
  180 3.3 33
  181 4.4 44
  194 6.3 63
  195 6.1 61
  196 67.1 671
  197 3.7 37
  198 3.5 35
  211 34.1 341
  212 3.1 31
//