ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010350
RECORD_TITLE: 2,4-DINITROANILINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 2,4-DINITROANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅N₃O₄
CH$EXACT_MASS: 183.02801
CH$SMILES: [O-1][N+1](=O)c(c1)cc([N+1]([O-1])=O)c(N)c1
CH$IUPAC: InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2
CH$LINK: INCHIKEY LXQOQPGNCGEELI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021823

AC$INSTRUMENT: HITACHI M-80A
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-9500000000-d22dbee69568016b5f9b
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  14 1.3 13
  26 1.39 14
  27 1.57 16
  28 5.87 59
  29 1.13 11
  30 21.14 211
  37 3.22 32
  38 6.58 66
  39 11.22 112
  40 4.56 46
  41 11.01 110
  42 1.53 15
  44 2.13 21
  46 4.85 49
  50 3.82 38
  51 7.7 77
  52 40.38 404
  53 6.95 70
  54 2.5 25
  61 3.71 37
  62 9.75 98
  63 22.77 228
  64 22.73 227
  65 8.84 88
  66 5.47 55
  67 2.92 29
  74 1.38 14
  75 1.61 16
  76 2.74 27
  77 2.12 21
  78 5.84 58
  79 14.42 144
  80 3.34 33
  88 1.14 11
  89 3.22 32
  90 6.7 67
  91 50.35 504
  92 7.95 80
  93 2.78 28
  95 2.79 28
  106 2.3 23
  107 18.76 188
  108 1.62 16
  137 6.36 64
  153 24.51 245
  154 2.08 21
  167 7.94 79
  168 1.06 11
  183 99.99 999
  184 19.22 192
  185 2.02 20
//