ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003284
RECORD_TITLE: N,N-DIBUTYL-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$NAME: N,N-DIBUTYL-2,4-DINITROBENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₁N₃O₄
CH$EXACT_MASS: 295.15321
CH$SMILES: CCCCN(CCCC)c(c1)c([N+1]([O-1])=O)cc([N+1]([O-1])=O)c1
CH$IUPAC: InChI=1S/C14H21N3O4/c1-3-5-9-15(10-6-4-2)13-8-7-12(16(18)19)11-14(13)17(20)21/h7-8,11H,3-6,9-10H2,1-2H3
CH$LINK: INCHIKEY CYRRWDPFDBUXIP-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$SPLASH: splash10-0a4i-9510000000-be52b366495a5b5dfe6f
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  52 5.1 51
  54 4.5 45
  55 1.6 16
  57 99.99 999
  58 5.3 53
  64 2.1 21
  66 4.3 43
  69 1.3 13
  70 4.3 43
  73 3.2 32
  75 5.1 51
  76 7.2 72
  77 4.3 43
  78 1.8 18
  79 4.5 45
  82 4.8 48
  91 1.6 16
  92 5.1 51
  93 4.5 45
  94 4.3 43
  95 2.9 29
  103 4.8 48
  104 5.3 53
  105 3.7 37
  118 4.3 43
  119 4.8 48
  133 4 40
  136 4.3 43
  139 4.5 45
  149 5.1 51
  150 5.3 53
  166 6.1 61
  179 4.3 43
  180 4.8 48
  196 37.6 376
  222 5.1 51
  252 25.8 258
  253 5.1 51
//