ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003278
RECORD_TITLE: N-PROPYL-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$NAME: N-PROPYL-2,4-DINITROBENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₁N₃O₄
CH$EXACT_MASS: 225.07496
CH$SMILES: CCCNc(c1)c([N+1]([O-1])=O)cc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C9H11N3O4/c1-2-5-10-8-4-3-7(11(13)14)6-9(8)12(15)16/h3-4,6,10H,2,5H2,1H3
CH$LINK: INCHIKEY VTYSAZUSTIWCND-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$SPLASH: splash10-0002-3900000000-0bc89885e6b80810922d
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  43 3.3 33
  51 4.8 48
  52 5.2 52
  57 4.1 41
  62 3.4 34
  63 4.3 43
  64 4.4 44
  65 6.2 62
  66 3.9 39
  74 1.6 16
  75 4.4 44
  76 6.4 64
  77 10.5 105
  78 11.8 118
  80 4.4 44
  89 2.8 28
  90 2.9 29
  91 3.4 34
  92 9.4 94
  102 2.6 26
  103 5.4 54
  104 15.2 152
  105 2.9 29
  106 3.6 36
  108 3.1 31
  117 4.8 48
  118 4.6 46
  119 5.2 52
  120 7.4 74
  121 4.4 44
  122 9.9 99
  123 2.4 24
  130 2.9 29
  132 2.6 26
  133 3.3 33
  134 4.9 49
  136 2.1 21
  138 6.9 69
  144 2.9 29
  146 2.8 28
  149 3.9 39
  150 13.5 135
  151 5.7 57
  164 2.9 29
  166 13 130
  167 2.9 29
  179 3.1 31
  180 5.1 51
  189 2.9 29
  195 3.1 31
  196 99.99 999
  197 8.7 87
  209 2.6 26
  225 19.2 192
  226 2.6 26
//