ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003280
RECORD_TITLE: N-ISOPROPYL-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$NAME: N-ISOPROPYL-2,4-DINITROBENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₁N₃O₄
CH$EXACT_MASS: 225.07496
CH$SMILES: CC(C)Nc(c1)c([N+1]([O-1])=O)cc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C9H11N3O4/c1-6(2)10-8-4-3-7(11(13)14)5-9(8)12(15)16/h3-6,10H,1-2H3
CH$LINK: INCHIKEY KBLJXXODEPARJO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60324254

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$SPLASH: splash10-03di-5940000000-abde2468fdbb515c77b1
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  41 2.3 23
  43 4.2 42
  44 2.7 27
  45 3.6 36
  50 3.7 37
  51 7.6 76
  52 7.7 77
  53 2.6 26
  54 1.3 13
  56 1.8 18
  59 2 20
  61 2.2 22
  62 5.3 53
  63 12.7 127
  64 8.7 87
  65 8.8 88
  66 4.1 41
  67 2 20
  68 2.5 25
  74 2.8 28
  75 7 70
  76 5.2 52
  77 6.2 62
  78 9.1 91
  79 6.2 62
  80 4.7 47
  89 6.2 62
  90 8.2 82
  91 20.5 205
  92 5.6 56
  93 4.8 48
  94 5.1 51
  95 1.6 16
  98 2 20
  102 1.8 18
  103 4 40
  104 3.7 37
  105 2 20
  106 6 60
  107 7.3 73
  108 1.5 15
  109 2 20
  116 3.6 36
  117 16.5 165
  118 28.9 289
  119 6.7 67
  120 4.6 46
  121 3.8 38
  122 3.8 38
  123 2.2 22
  130 6 60
  131 5.2 52
  132 5.2 52
  133 3 30
  134 30.7 307
  135 3.5 35
  136 2.5 25
  137 4.2 42
  138 2.5 25
  144 2.2 22
  145 2.2 22
  146 6.1 61
  147 3 30
  148 2.6 26
  149 5.2 52
  150 2.2 22
  152 3.1 31
  153 4 40
  160 2 20
  161 2.1 21
  162 2 20
  163 7.7 77
  164 30 300
  165 3.7 37
  166 4.7 47
  167 4.1 41
  168 1.3 13
  176 2 20
  177 3.7 37
  178 4 40
  180 9.1 91
  181 2.2 22
  183 2.2 22
  190 6.6 66
  191 2.2 22
  192 10 100
  193 2 20
  194 4 40
  195 4 40
  206 2.2 22
  207 4.8 48
  208 4.3 43
  209 2 20
  210 99.99 999
  211 9.5 95
  225 25.4 254
  226 4 40
//