ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003276
RECORD_TITLE: N-BUTYL-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$NAME: N-BUTYL-2,4-DINITROBENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃N₃O₄
CH$EXACT_MASS: 239.09061
CH$SMILES: CCCCNc(c1)c([N+1]([O-1])=O)cc([N+1]([O-1])=O)c1
CH$IUPAC: InChI=1S/C10H13N3O4/c1-2-3-6-11-9-5-4-8(12(14)15)7-10(9)13(16)17/h4-5,7,11H,2-3,6H2,1H3
CH$LINK: INCHIKEY XFLMVRNRVDULNK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50926807

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$SPLASH: splash10-0002-3900000000-7d40798499cd9ba4f950
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  43 2 20
  45 1.1 11
  46 1.7 17
  50 3.1 31
  51 8.9 89
  52 5.3 53
  53 2.6 26
  55 1.1 11
  62 3.8 38
  63 6.7 67
  64 3.9 39
  65 9.4 94
  66 3.2 32
  67 1.6 16
  71 5.5 55
  74 2 20
  75 5.2 52
  76 8.3 83
  77 15.9 159
  78 13.9 139
  79 4.1 41
  80 4.5 45
  89 1.5 15
  90 3.8 38
  91 5.5 55
  92 10.5 105
  93 4.7 47
  98 1.7 17
  102 1.9 19
  103 3 30
  104 16.6 166
  105 8.1 81
  106 3.6 36
  108 4.3 43
  110 1.9 19
  111 1.7 17
  113 1.1 11
  116 2 20
  117 4.3 43
  118 5.5 55
  119 5.2 52
  120 8.6 86
  121 4.3 43
  122 11.8 118
  123 2.2 22
  130 3.4 34
  131 2.2 22
  132 1.8 18
  133 1.9 19
  134 6 60
  136 2.6 26
  137 1.8 18
  138 8.9 89
  145 1.6 16
  146 3.4 34
  147 3.8 38
  149 4.4 44
  150 15.1 151
  151 3.1 31
  152 1.9 19
  153 1.8 18
  158 1.5 15
  159 1.7 17
  160 1.9 19
  161 1.5 15
  163 3.6 36
  164 3.6 36
  166 16.9 169
  167 3.6 36
  174 1.7 17
  175 2.3 23
  176 3.1 31
  177 3.8 38
  179 4.6 46
  180 9.5 95
  181 1.6 16
  183 2.9 29
  184 1.7 17
  185 1.2 12
  191 1.8 18
  192 1.7 17
  193 1.6 16
  196 99.99 999
  197 9.6 96
  198 2.6 26
  204 1.5 15
  207 1.7 17
  209 3.1 31
  223 1.9 19
  239 16.3 163
  240 2.1 21
//