ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003286
RECORD_TITLE: N,N-DIISOBUTYL-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$NAME: N,N-DIISOBUTYL-2,4-DINITROBENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₁N₃O₄
CH$EXACT_MASS: 295.15321
CH$SMILES: CC(C)CN(CC(C)C)c(c1)c([N+1]([O-1])=O)cc([N+1]([O-1])=O)c1
CH$IUPAC: InChI=1S/C14H21N3O4/c1-10(2)8-15(9-11(3)4)13-6-5-12(16(18)19)7-14(13)17(20)21/h5-7,10-11H,8-9H2,1-4H3
CH$LINK: INCHIKEY HPZWJYZVAHLNCT-UHFFFAOYSA-N

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$SPLASH: splash10-0r01-7940000000-a572ffd65d5f55a93475
PK$NUM_PEAK: 95
PK$PEAK: m/z int. rel.int.
  41 29 290
  42 10.3 103
  51 10.8 108
  52 15.2 152
  53 14.2 142
  54 10.3 103
  55 20.6 206
  56 9.3 93
  57 95 950
  58 9.3 93
  64 9.3 93
  65 6.8 68
  66 9.3 93
  67 12.3 123
  68 8.3 83
  69 7.3 73
  70 9.3 93
  71 8.8 88
  73 9.3 93
  74 9.8 98
  75 15.2 152
  76 10.3 103
  77 29.5 295
  78 14.7 147
  79 12.8 128
  80 8.3 83
  81 10.3 103
  89 9.8 98
  90 9.8 98
  91 14.2 142
  92 16.7 167
  93 10.3 103
  94 11.3 113
  95 8.8 88
  96 8.3 83
  97 9.3 93
  99 7.3 73
  103 13.7 137
  104 16.7 167
  105 20.1 201
  106 8.3 83
  107 10.3 103
  109 8.8 88
  110 7.8 78
  111 8.3 83
  117 9.3 93
  118 13.3 133
  119 16.7 167
  120 9.3 93
  121 11.3 113
  122 11.3 113
  127 8.3 83
  130 9.3 93
  131 8.8 88
  133 8.3 83
  134 16.2 162
  135 10.8 108
  136 8.8 88
  138 9.3 93
  139 9.3 93
  140 7.3 73
  142 8.8 88
  143 8.8 88
  145 8.3 83
  146 9.3 93
  147 14.7 147
  149 11.8 118
  150 15.2 152
  152 8.3 83
  157 7.8 78
  159 8.8 88
  160 9.3 93
  161 8.3 83
  163 8.3 83
  164 10.8 108
  165 10.3 103
  166 14.2 142
  169 8.3 83
  175 8.3 83
  179 15.2 152
  180 18.7 187
  195 8.8 88
  196 99.99 999
  197 12.8 128
  198 7.8 78
  202 7.8 78
  206 9.3 93
  210 81.2 812
  211 15.7 157
  212 9.8 98
  236 31 310
  252 98 980
  253 18.7 187
  295 7.8 78
  296 0.8 8
//