ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003282
RECORD_TITLE: N-SEC-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$NAME: N-SEC-BUTYL-2,4-DINITROBENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃N₃O₄
CH$EXACT_MASS: 239.09061
CH$SMILES: CCC(C)Nc(c1)c([N+1]([O-1])=O)cc([N+1]([O-1])=O)c1
CH$IUPAC: InChI=1S/C10H13N3O4/c1-3-7(2)11-9-5-4-8(12(14)15)6-10(9)13(16)17/h4-7,11H,3H2,1-2H3
CH$LINK: INCHIKEY GMXQFXLQBAAKFN-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$SPLASH: splash10-03di-7940000000-1cf12e7b5d4479f0b7bf
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  45 3.1 31
  50 5.2 52
  51 6.2 62
  52 11.8 118
  53 8 80
  54 5.9 59
  56 3.7 37
  57 8.3 83
  62 6.2 62
  63 13 130
  64 6.5 65
  65 13 130
  66 6.2 62
  67 6.5 65
  69 1.5 15
  73 5.2 52
  74 6.2 62
  75 14.9 149
  76 10.8 108
  77 7.7 77
  78 5.5 55
  79 9.6 96
  80 5.5 55
  81 5.2 52
  89 8.3 83
  90 7.1 71
  91 18.6 186
  92 6.8 68
  93 5.5 55
  94 7.4 74
  95 6.2 62
  103 5.9 59
  104 5.9 59
  105 6.5 65
  106 7.1 71
  107 7.1 71
  116 5.2 52
  117 17 170
  118 31.3 313
  119 9.3 93
  120 5.5 55
  122 5.2 52
  128 4.9 49
  130 4.9 49
  131 6.2 62
  132 5.9 59
  133 5.2 52
  134 38.8 388
  135 3.4 34
  146 5.2 52
  147 5.5 55
  149 9.6 96
  150 4.9 49
  152 5.9 59
  163 8.3 83
  164 28.2 282
  165 6.5 65
  166 5.5 55
  178 5.2 52
  180 9.9 99
  192 5.9 59
  194 5.5 55
  209 4.6 46
  210 99.99 999
  211 9.3 93
  212 5.2 52
  224 6.2 62
  239 13.6 136
  240 1.1 11
//