ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003283
RECORD_TITLE: N-TERT-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$NAME: N-TERT-BUTYL-2,4-DINITROBENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃N₃O₄
CH$EXACT_MASS: 239.09061
CH$SMILES: [O-1][N+1](=O)c(c1)cc([N+1]([O-1])=O)c(c1)NC(C)(C)C
CH$IUPAC: InChI=1S/C10H13N3O4/c1-10(2,3)11-8-5-4-7(12(14)15)6-9(8)13(16)17/h4-6,11H,1-3H3
CH$LINK: INCHIKEY CLAAAWAMIUWEGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10293880

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$SPLASH: splash10-0a4i-9630000000-374af89d9ad0e8113358
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  42 1.1 11
  43 2.1 21
  46 1.7 17
  51 3.5 35
  52 4.6 46
  53 1.3 13
  55 1.8 18
  56 4.8 48
  57 99.99 999
  58 4.6 46
  59 5 50
  62 3.2 32
  63 4.5 45
  64 3.4 34
  65 4 40
  66 2 20
  67 0.9 9
  74 0.8 8
  75 4 40
  76 1.7 17
  77 1.9 19
  78 1.3 13
  79 2.1 21
  80 2.8 28
  89 1.9 19
  90 3.2 32
  91 3.9 39
  92 1.3 13
  93 0.9 9
  94 1.2 12
  95 0.8 8
  103 2.8 28
  104 1.8 18
  105 2.1 21
  106 2 20
  107 3.9 39
  110 1.5 15
  116 1.9 19
  117 6.6 66
  118 3.7 37
  120 1.7 17
  122 2.7 27
  123 1.8 18
  130 4.4 44
  131 4 40
  132 4.3 43
  133 1 10
  134 1.6 16
  137 3.9 39
  147 1.8 18
  148 2.2 22
  151 1.9 19
  153 7.7 77
  160 1.5 15
  164 4.5 45
  165 0.8 8
  166 1.8 18
  167 6.3 63
  168 1.4 14
  177 3.2 32
  178 5.9 59
  179 2.3 23
  183 19.8 198
  184 4.4 44
  185 1.6 16
  192 1.7 17
  193 1.5 15
  194 1.9 19
  207 1.7 17
  218 1.4 14
  223 1.5 15
  224 46.6 466
  225 5.4 54
  239 11.2 112
  240 1.7 17
//