ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003285
RECORD_TITLE: N,N-DIETHYL-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$NAME: N,N-DIETHYL-2,4-DINITROBENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃N₃O₄
CH$EXACT_MASS: 239.09061
CH$SMILES: CCN(CC)c(c1)c([N+1]([O-1])=O)cc([N+1]([O-1])=O)c1
CH$IUPAC: InChI=1S/C10H13N3O4/c1-3-11(4-2)9-6-5-8(12(14)15)7-10(9)13(16)17/h5-7H,3-4H2,1-2H3
CH$LINK: INCHIKEY RAYYZJTYTUPECK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70232533

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$SPLASH: splash10-00dm-6930000000-7764b7508accc1b02f9e
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  41 2.1 21
  42 2.4 24
  44 99.99 999
  45 3.7 37
  50 6 60
  51 9.8 98
  52 8.5 85
  53 5.2 52
  54 3.6 36
  55 3.8 38
  56 13.4 134
  57 2.1 21
  62 4.6 46
  63 13.2 132
  64 6.2 62
  65 12.7 127
  66 4.2 42
  68 2.2 22
  70 2.6 26
  74 4.1 41
  75 7.7 77
  76 12.9 129
  77 19 190
  78 15.6 156
  79 5.6 56
  80 3.8 38
  81 2 20
  82 2.3 23
  83 2.5 25
  84 2.4 24
  89 6.9 69
  90 8.7 87
  91 15.5 155
  92 12.5 125
  93 6.3 63
  95 2.2 22
  103 9.6 96
  104 14.4 144
  105 5.8 58
  106 6.4 64
  107 3.6 36
  108 5.4 54
  109 1.8 18
  110 1.9 19
  115 2.1 21
  116 2.7 27
  117 17.5 175
  118 12.7 127
  119 13 130
  120 12.9 129
  121 6.2 62
  122 11.3 113
  123 2 20
  128 2 20
  130 5.1 51
  131 9.1 91
  132 18.9 189
  133 5.1 51
  134 11 110
  135 4 40
  136 3 30
  137 2.4 24
  138 6.8 68
  141 1.5 15
  145 5.2 52
  146 8.3 83
  147 7.1 71
  148 4.3 43
  149 18.6 186
  150 27.5 275
  151 4 40
  161 2.3 23
  163 4.3 43
  164 35.6 356
  165 7.2 72
  166 11.4 114
  168 2 20
  175 4.7 47
  176 5.5 55
  177 7.8 78
  178 12.2 122
  179 6.1 61
  180 12.8 128
  181 2.6 26
  190 2.6 26
  191 6.8 68
  192 10.9 109
  193 3.7 37
  194 2.6 26
  196 43.5 435
  197 5.9 59
  206 2.5 25
  207 3.7 37
  209 2.1 21
  210 2.4 24
  211 3.3 33
  222 57 570
  223 7.1 71
  224 67.1 671
  225 7.1 71
  239 8 80
  240 1.6 16
//