ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003281
RECORD_TITLE: N-ISOBUTYL-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$NAME: N-ISOBUTYL-2,4-DINITROBENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃N₃O₄
CH$EXACT_MASS: 239.09061
CH$SMILES: CC(C)CNc(c1)c([N+1]([O-1])=O)cc([N+1]([O-1])=O)c1
CH$IUPAC: InChI=1S/C10H13N3O4/c1-7(2)6-11-9-4-3-8(12(14)15)5-10(9)13(16)17/h3-5,7,11H,6H2,1-2H3
CH$LINK: INCHIKEY HYHCZHIKPLOGQR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60401837

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$SPLASH: splash10-0002-4900000000-a4c813683ee82d64338c
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  43 18.8 188
  50 3.5 35
  51 8.3 83
  52 5.9 59
  53 2.3 23
  62 5.3 53
  63 5.9 59
  64 2 20
  65 9.2 92
  66 5.6 56
  74 1.7 17
  75 6.8 68
  76 10.4 104
  77 11.6 116
  78 10.4 104
  79 1.4 14
  80 5.3 53
  90 5.6 56
  91 4.1 41
  92 9.5 95
  93 1.7 17
  102 5 50
  103 5.9 59
  104 14.3 143
  105 5 50
  106 5 50
  107 4.4 44
  108 2 20
  117 5 50
  118 5.6 56
  119 2 20
  120 9.5 95
  121 2 20
  122 11.3 113
  130 4.7 47
  133 5 50
  134 6.2 62
  136 5 50
  138 6.8 68
  149 2.6 26
  150 17.3 173
  160 4.7 47
  166 14 140
  167 5.3 53
  179 2.6 26
  180 8.6 86
  196 99.99 999
  197 6.2 62
  239 10.4 104
  240 1.4 14
//